*HEADER    HYDROLASE                               21-OCT-11   2LKT              
*TITLE     SOLUTION STRUCTURE OF N-TERMINAL DOMAIN OF HUMAN TIG3                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RETINOIC ACID RECEPTOR RESPONDER PROTEIN 3;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: NLPC/P60 STRUCTURAL DOMAIN;                                
*COMPND   5 SYNONYM: RAR-RESPONSIVE PROTEIN TIG3, RETINOID-INDUCIBLE GENE 1      
*COMPND   6 PROTEIN, TAZAROTENE-INDUCED GENE 3 PROTEIN;                          
*COMPND   7 EC: 3.1.1.-;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: TIG3;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET-21A                                    
*KEYWDS    TIG3, HUMAN TUMOR SUPPRESSOR II FAMILY, NLPC/P60, HYDROLASE           
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.WANG, W.YU, B.XIA                                                   
*REVDAT   1   24-OCT-12 2LKT    0                                                


# 1948 atoms read from pdb file tig_new.pdb.
# 7 GLU PSI:  (7 GLU N)-(7 GLU CA)-(7 GLU C)-(8 PRO N) 110.2 157.2
 &rst     iat =    89,    91,   102,   104,
   r1 = 109.2, r2 = 110.2, r3 = 157.2, r4 = 158.2,
 &end

# 9 LYS PHI:  (8 PRO C)-(9 LYS N)-(9 LYS CA)-(9 LYS C) -101.2 -62.8
 &rst     iat =   116,   118,   120,   138,
   r1 = -102.2, r2 = -101.2, r3 = -62.8, r4 = -61.8,
 &end

# 9 LYS PSI:  (9 LYS N)-(9 LYS CA)-(9 LYS C)-(10 PRO N) 108.5 159.2
 &rst     iat =   118,   120,   138,   140,
   r1 = 107.5, r2 = 108.5, r3 = 159.2, r4 = 160.2,
 &end

# 11 GLY PHI:  (10 PRO C)-(11 GLY N)-(11 GLY CA)-(11 GLY C)  78.1 100.9
 &rst     iat =   152,   154,   156,   159,
   r1 =  77.1, r2 =  78.1, r3 = 100.9, r4 = 101.9,
 &end

# 11 GLY PSI:  (11 GLY N)-(11 GLY CA)-(11 GLY C)-(12 ASP N) -23.2  -1.2
 &rst     iat =   154,   156,   159,   161,
   r1 = -24.2, r2 = -23.2, r3 =  -1.2, r4 =  -0.2,
 &end

# 13 LEU PHI:  (12 ASP C)-(13 LEU N)-(13 LEU CA)-(13 LEU C) -169.0 -109.0
 &rst     iat =   171,   173,   175,   190,
   r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
 &end

# 13 LEU PSI:  (13 LEU N)-(13 LEU CA)-(13 LEU C)-(14 ILE N) 105.0 165.0
 &rst     iat =   173,   175,   190,   192,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 14 ILE PHI:  (13 LEU C)-(14 ILE N)-(14 ILE CA)-(14 ILE C) -146.2 -99.4
 &rst     iat =   190,   192,   194,   209,
   r1 = -147.2, r2 = -146.2, r3 = -99.4, r4 = -98.4,
 &end

# 14 ILE PSI:  (14 ILE N)-(14 ILE CA)-(14 ILE C)-(15 GLU N) 121.0 138.8
 &rst     iat =   192,   194,   209,   211,
   r1 = 120.0, r2 = 121.0, r3 = 138.8, r4 = 139.8,
 &end

# 15 GLU PHI:  (14 ILE C)-(15 GLU N)-(15 GLU CA)-(15 GLU C) -130.8 -89.7
 &rst     iat =   209,   211,   213,   224,
   r1 = -131.8, r2 = -130.8, r3 = -89.7, r4 = -88.7,
 &end

# 15 GLU PSI:  (15 GLU N)-(15 GLU CA)-(15 GLU C)-(16 ILE N) 111.1 151.4
 &rst     iat =   211,   213,   224,   226,
   r1 = 110.1, r2 = 111.1, r3 = 151.4, r4 = 152.4,
 &end

# 16 ILE PHI:  (15 GLU C)-(16 ILE N)-(16 ILE CA)-(16 ILE C) -120.2 -91.9
 &rst     iat =   224,   226,   228,   243,
   r1 = -121.2, r2 = -120.2, r3 = -91.9, r4 = -90.9,
 &end

# 16 ILE PSI:  (16 ILE N)-(16 ILE CA)-(16 ILE C)-(17 PHE N) 113.9 137.5
 &rst     iat =   226,   228,   243,   245,
   r1 = 112.9, r2 = 113.9, r3 = 137.5, r4 = 138.5,
 &end

# 17 PHE PHI:  (16 ILE C)-(17 PHE N)-(17 PHE CA)-(17 PHE C) -101.6 -68.0
 &rst     iat =   243,   245,   247,   263,
   r1 = -102.6, r2 = -101.6, r3 = -68.0, r4 = -67.0,
 &end

# 17 PHE PSI:  (17 PHE N)-(17 PHE CA)-(17 PHE C)-(18 ARG N) 100.1 134.7
 &rst     iat =   245,   247,   263,   265,
   r1 = 99.1, r2 = 100.1, r3 = 134.7, r4 = 135.7,
 &end

# 19 LEU PSI:  (19 LEU N)-(19 LEU CA)-(19 LEU C)-(20 GLY N) 87.6 132.4
 &rst     iat =   289,   291,   306,   308,
   r1 = 86.6, r2 = 87.6, r3 = 132.4, r4 = 133.4,
 &end

# 22 GLU PHI:  (21 TYR C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) -131.7 -110.5
 &rst     iat =   334,   336,   338,   349,
   r1 = -132.7, r2 = -131.7, r3 = -110.5, r4 = -109.5,
 &end

# 22 GLU PSI:  (22 GLU N)-(22 GLU CA)-(22 GLU C)-(23 HIS N) 126.2 152.0
 &rst     iat =   336,   338,   349,   351,
   r1 = 125.2, r2 = 126.2, r3 = 152.0, r4 = 153.0,
 &end

# 23 HIS PHI:  (22 GLU C)-(23 HIS N)-(23 HIS CA)-(23 HIS C) -135.9 -113.3
 &rst     iat =   349,   351,   353,   366,
   r1 = -136.9, r2 = -135.9, r3 = -113.3, r4 = -112.3,
 &end

# 23 HIS PSI:  (23 HIS N)-(23 HIS CA)-(23 HIS C)-(24 TRP N) 125.9 172.3
 &rst     iat =   351,   353,   366,   368,
   r1 = 124.9, r2 = 125.9, r3 = 172.3, r4 = 173.3,
 &end

# 24 TRP PHI:  (23 HIS C)-(24 TRP N)-(24 TRP CA)-(24 TRP C) -133.6 -109.6
 &rst     iat =   366,   368,   370,   390,
   r1 = -134.6, r2 = -133.6, r3 = -109.6, r4 = -108.6,
 &end

# 24 TRP PSI:  (24 TRP N)-(24 TRP CA)-(24 TRP C)-(25 ALA N) 124.1 147.0
 &rst     iat =   368,   370,   390,   392,
   r1 = 123.1, r2 = 124.1, r3 = 147.0, r4 = 148.0,
 &end

# 25 ALA PHI:  (24 TRP C)-(25 ALA N)-(25 ALA CA)-(25 ALA C) -154.5 -140.3
 &rst     iat =   390,   392,   394,   400,
   r1 = -155.5, r2 = -154.5, r3 = -140.3, r4 = -139.3,
 &end

# 25 ALA PSI:  (25 ALA N)-(25 ALA CA)-(25 ALA C)-(26 LEU N) 139.9 158.1
 &rst     iat =   392,   394,   400,   402,
   r1 = 138.9, r2 = 139.9, r3 = 158.1, r4 = 159.1,
 &end

# 26 LEU PHI:  (25 ALA C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -139.8 -92.0
 &rst     iat =   400,   402,   404,   419,
   r1 = -140.8, r2 = -139.8, r3 = -92.0, r4 = -91.0,
 &end

# 26 LEU PSI:  (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 TYR N) 116.9 147.9
 &rst     iat =   402,   404,   419,   421,
   r1 = 115.9, r2 = 116.9, r3 = 147.9, r4 = 148.9,
 &end

# 27 TYR PHI:  (26 LEU C)-(27 TYR N)-(27 TYR CA)-(27 TYR C) -95.3 -58.1
 &rst     iat =   419,   421,   423,   440,
   r1 = -96.3, r2 = -95.3, r3 = -58.1, r4 = -57.1,
 &end

# 27 TYR PSI:  (27 TYR N)-(27 TYR CA)-(27 TYR C)-(28 ILE N) 108.8 146.7
 &rst     iat =   421,   423,   440,   442,
   r1 = 107.8, r2 = 108.8, r3 = 146.7, r4 = 147.7,
 &end

# 29 GLY PSI:  (29 GLY N)-(29 GLY CA)-(29 GLY C)-(30 ASP N) 105.5 165.0
 &rst     iat =   461,   463,   466,   468,
   r1 = 104.5, r2 = 105.5, r3 = 165.0, r4 = 166.0,
 &end

# 30 ASP PHI:  (29 GLY C)-(30 ASP N)-(30 ASP CA)-(30 ASP C) -119.8 -58.6
 &rst     iat =   466,   468,   470,   478,
   r1 = -120.8, r2 = -119.8, r3 = -58.6, r4 = -57.6,
 &end

# 30 ASP PSI:  (30 ASP N)-(30 ASP CA)-(30 ASP C)-(31 GLY N)  95.3 128.2
 &rst     iat =   468,   470,   478,   480,
   r1 =  94.3, r2 =  95.3, r3 = 128.2, r4 = 129.2,
 &end

# 32 TYR PHI:  (31 GLY C)-(32 TYR N)-(32 TYR CA)-(32 TYR C) -169.0 -99.0
 &rst     iat =   485,   487,   489,   506,
   r1 = -170.0, r2 = -169.0, r3 = -99.0, r4 = -98.0,
 &end

# 32 TYR PSI:  (32 TYR N)-(32 TYR CA)-(32 TYR C)-(33 VAL N) 105.0 165.0
 &rst     iat =   487,   489,   506,   508,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 33 VAL PHI:  (32 TYR C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -144.9 -115.7
 &rst     iat =   506,   508,   510,   522,
   r1 = -145.9, r2 = -144.9, r3 = -115.7, r4 = -114.7,
 &end

# 33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 ILE N) 129.4 162.3
 &rst     iat =   508,   510,   522,   524,
   r1 = 128.4, r2 = 129.4, r3 = 162.3, r4 = 163.3,
 &end

# 34 ILE PHI:  (33 VAL C)-(34 ILE N)-(34 ILE CA)-(34 ILE C) -134.3 -102.3
 &rst     iat =   522,   524,   526,   541,
   r1 = -135.3, r2 = -134.3, r3 = -102.3, r4 = -101.3,
 &end

# 34 ILE PSI:  (34 ILE N)-(34 ILE CA)-(34 ILE C)-(35 HIS N) 132.5 161.9
 &rst     iat =   524,   526,   541,   543,
   r1 = 131.5, r2 = 132.5, r3 = 161.9, r4 = 162.9,
 &end

# 35 HIS PHI:  (34 ILE C)-(35 HIS N)-(35 HIS CA)-(35 HIS C) -149.3 -120.6
 &rst     iat =   541,   543,   545,   558,
   r1 = -150.3, r2 = -149.3, r3 = -120.6, r4 = -119.6,
 &end

# 35 HIS PSI:  (35 HIS N)-(35 HIS CA)-(35 HIS C)-(36 LEU N) 125.7 162.2
 &rst     iat =   543,   545,   558,   560,
   r1 = 124.7, r2 = 125.7, r3 = 162.2, r4 = 163.2,
 &end

# 36 LEU PHI:  (35 HIS C)-(36 LEU N)-(36 LEU CA)-(36 LEU C) -129.2 -91.3
 &rst     iat =   558,   560,   562,   577,
   r1 = -130.2, r2 = -129.2, r3 = -91.3, r4 = -90.3,
 &end

# 36 LEU PSI:  (36 LEU N)-(36 LEU CA)-(36 LEU C)-(37 ALA N) 115.6 135.1
 &rst     iat =   560,   562,   577,   579,
   r1 = 114.6, r2 = 115.6, r3 = 135.1, r4 = 136.1,
 &end

# 37 ALA PHI:  (36 LEU C)-(37 ALA N)-(37 ALA CA)-(37 ALA C) -125.0 -76.6
 &rst     iat =   577,   579,   581,   587,
   r1 = -126.0, r2 = -125.0, r3 = -76.6, r4 = -75.6,
 &end

# 37 ALA PSI:  (37 ALA N)-(37 ALA CA)-(37 ALA C)-(38 PRO N) 102.6 140.8
 &rst     iat =   579,   581,   587,   589,
   r1 = 101.6, r2 = 102.6, r3 = 140.8, r4 = 141.8,
 &end

# 45 ALA PHI:  (44 GLY C)-(45 ALA N)-(45 ALA CA)-(45 ALA C) -105.2 -50.2
 &rst     iat =   683,   685,   687,   693,
   r1 = -106.2, r2 = -105.2, r3 = -50.2, r4 = -49.2,
 &end

# 45 ALA PSI:  (45 ALA N)-(45 ALA CA)-(45 ALA C)-(46 GLY N) 110.0 167.6
 &rst     iat =   685,   687,   693,   695,
   r1 = 109.0, r2 = 110.0, r3 = 167.6, r4 = 168.6,
 &end

# 47 SER PHI:  (46 GLY C)-(47 SER N)-(47 SER CA)-(47 SER C) -132.1 -70.1
 &rst     iat =   700,   702,   704,   711,
   r1 = -133.1, r2 = -132.1, r3 = -70.1, r4 = -69.1,
 &end

# 48 SER PHI:  (47 SER C)-(48 SER N)-(48 SER CA)-(48 SER C) -145.2 -105.6
 &rst     iat =   711,   713,   715,   722,
   r1 = -146.2, r2 = -145.2, r3 = -105.6, r4 = -104.6,
 &end

# 58 ALA PHI:  (57 SER C)-(58 ALA N)-(58 ALA CA)-(58 ALA C) -152.1 -115.0
 &rst     iat =   851,   853,   855,   861,
   r1 = -153.1, r2 = -152.1, r3 = -115.0, r4 = -114.0,
 &end

# 58 ALA PSI:  (58 ALA N)-(58 ALA CA)-(58 ALA C)-(59 GLU N) 127.0 153.9
 &rst     iat =   853,   855,   861,   863,
   r1 = 126.0, r2 = 127.0, r3 = 153.9, r4 = 154.9,
 &end

# 59 GLU PHI:  (58 ALA C)-(59 GLU N)-(59 GLU CA)-(59 GLU C) -145.6 -106.6
 &rst     iat =   861,   863,   865,   876,
   r1 = -146.6, r2 = -145.6, r3 = -106.6, r4 = -105.6,
 &end

# 59 GLU PSI:  (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 VAL N) 131.8 152.2
 &rst     iat =   863,   865,   876,   878,
   r1 = 130.8, r2 = 131.8, r3 = 152.2, r4 = 153.2,
 &end

# 60 VAL PHI:  (59 GLU C)-(60 VAL N)-(60 VAL CA)-(60 VAL C) -97.6 -69.3
 &rst     iat =   876,   878,   880,   892,
   r1 = -98.6, r2 = -97.6, r3 = -69.3, r4 = -68.3,
 &end

# 60 VAL PSI:  (60 VAL N)-(60 VAL CA)-(60 VAL C)-(61 LYS N) 114.8 133.3
 &rst     iat =   878,   880,   892,   894,
   r1 = 113.8, r2 = 114.8, r3 = 133.3, r4 = 134.3,
 &end

# 61 LYS PHI:  (60 VAL C)-(61 LYS N)-(61 LYS CA)-(61 LYS C) -144.9 -111.1
 &rst     iat =   892,   894,   896,   914,
   r1 = -145.9, r2 = -144.9, r3 = -111.1, r4 = -110.1,
 &end

# 61 LYS PSI:  (61 LYS N)-(61 LYS CA)-(61 LYS C)-(62 ARG N) 126.2 155.3
 &rst     iat =   894,   896,   914,   916,
   r1 = 125.2, r2 = 126.2, r3 = 155.3, r4 = 156.3,
 &end

# 62 ARG PHI:  (61 LYS C)-(62 ARG N)-(62 ARG CA)-(62 ARG C) -135.6 -105.0
 &rst     iat =   914,   916,   918,   938,
   r1 = -136.6, r2 = -135.6, r3 = -105.0, r4 = -104.0,
 &end

# 62 ARG PSI:  (62 ARG N)-(62 ARG CA)-(62 ARG C)-(63 GLU N) 117.3 139.1
 &rst     iat =   916,   918,   938,   940,
   r1 = 116.3, r2 = 117.3, r3 = 139.1, r4 = 140.1,
 &end

# 63 GLU PHI:  (62 ARG C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -163.0 -130.9
 &rst     iat =   938,   940,   942,   953,
   r1 = -164.0, r2 = -163.0, r3 = -130.9, r4 = -129.9,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 ARG N) 147.7 175.1
 &rst     iat =   940,   942,   953,   955,
   r1 = 146.7, r2 = 147.7, r3 = 175.1, r4 = 176.1,
 &end

# 64 ARG PHI:  (63 GLU C)-(64 ARG N)-(64 ARG CA)-(64 ARG C) -81.1 -63.7
 &rst     iat =   953,   955,   957,   977,
   r1 = -82.1, r2 = -81.1, r3 = -63.7, r4 = -62.7,
 &end

# 64 ARG PSI:  (64 ARG N)-(64 ARG CA)-(64 ARG C)-(65 LEU N) 126.2 153.2
 &rst     iat =   955,   957,   977,   979,
   r1 = 125.2, r2 = 126.2, r3 = 153.2, r4 = 154.2,
 &end

# 65 LEU PHI:  (64 ARG C)-(65 LEU N)-(65 LEU CA)-(65 LEU C) -65.6 -56.6
 &rst     iat =   977,   979,   981,   996,
   r1 = -66.6, r2 = -65.6, r3 = -56.6, r4 = -55.6,
 &end

# 65 LEU PSI:  (65 LEU N)-(65 LEU CA)-(65 LEU C)-(66 GLU N) -49.6 -37.4
 &rst     iat =   979,   981,   996,   998,
   r1 = -50.6, r2 = -49.6, r3 = -37.4, r4 = -36.4,
 &end

# 66 GLU PHI:  (65 LEU C)-(66 GLU N)-(66 GLU CA)-(66 GLU C) -63.6 -54.4
 &rst     iat =   996,   998,  1000,  1011,
   r1 = -64.6, r2 = -63.6, r3 = -54.4, r4 = -53.4,
 &end

# 66 GLU PSI:  (66 GLU N)-(66 GLU CA)-(66 GLU C)-(67 ASP N) -46.7 -36.6
 &rst     iat =   998,  1000,  1011,  1013,
   r1 = -47.7, r2 = -46.7, r3 = -36.6, r4 = -35.6,
 &end

# 67 ASP PHI:  (66 GLU C)-(67 ASP N)-(67 ASP CA)-(67 ASP C) -68.1 -57.5
 &rst     iat =  1011,  1013,  1015,  1023,
   r1 = -69.1, r2 = -68.1, r3 = -57.5, r4 = -56.5,
 &end

# 67 ASP PSI:  (67 ASP N)-(67 ASP CA)-(67 ASP C)-(68 VAL N) -48.9 -41.1
 &rst     iat =  1013,  1015,  1023,  1025,
   r1 = -49.9, r2 = -48.9, r3 = -41.1, r4 = -40.1,
 &end

# 68 VAL PHI:  (67 ASP C)-(68 VAL N)-(68 VAL CA)-(68 VAL C) -72.9 -60.4
 &rst     iat =  1023,  1025,  1027,  1039,
   r1 = -73.9, r2 = -72.9, r3 = -60.4, r4 = -59.4,
 &end

# 68 VAL PSI:  (68 VAL N)-(68 VAL CA)-(68 VAL C)-(69 VAL N) -53.9 -30.8
 &rst     iat =  1025,  1027,  1039,  1041,
   r1 = -54.9, r2 = -53.9, r3 = -30.8, r4 = -29.8,
 &end

# 69 VAL PHI:  (68 VAL C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -73.7 -55.3
 &rst     iat =  1039,  1041,  1043,  1055,
   r1 = -74.7, r2 = -73.7, r3 = -55.3, r4 = -54.3,
 &end

# 69 VAL PSI:  (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 GLY N) -52.6 -10.2
 &rst     iat =  1041,  1043,  1055,  1057,
   r1 = -53.6, r2 = -52.6, r3 = -10.2, r4 = -9.2,
 &end

# 73 CYS PSI:  (73 CYS N)-(73 CYS CA)-(73 CYS C)-(74 TYR N) 105.0 165.0
 &rst     iat =  1082,  1084,  1091,  1093,
   r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
 &end

# 74 TYR PHI:  (73 CYS C)-(74 TYR N)-(74 TYR CA)-(74 TYR C) -149.9 -114.3
 &rst     iat =  1091,  1093,  1095,  1112,
   r1 = -150.9, r2 = -149.9, r3 = -114.3, r4 = -113.3,
 &end

# 74 TYR PSI:  (74 TYR N)-(74 TYR CA)-(74 TYR C)-(75 ARG N) 153.4 171.5
 &rst     iat =  1093,  1095,  1112,  1114,
   r1 = 152.4, r2 = 153.4, r3 = 171.5, r4 = 172.5,
 &end

# 75 ARG PHI:  (74 TYR C)-(75 ARG N)-(75 ARG CA)-(75 ARG C) -155.3 -122.9
 &rst     iat =  1112,  1114,  1116,  1136,
   r1 = -156.3, r2 = -155.3, r3 = -122.9, r4 = -121.9,
 &end

# 75 ARG PSI:  (75 ARG N)-(75 ARG CA)-(75 ARG C)-(76 VAL N) 133.0 159.2
 &rst     iat =  1114,  1116,  1136,  1138,
   r1 = 132.0, r2 = 133.0, r3 = 159.2, r4 = 160.2,
 &end

# 76 VAL PHI:  (75 ARG C)-(76 VAL N)-(76 VAL CA)-(76 VAL C) -121.0 -84.3
 &rst     iat =  1136,  1138,  1140,  1152,
   r1 = -122.0, r2 = -121.0, r3 = -84.3, r4 = -83.3,
 &end

# 76 VAL PSI:  (76 VAL N)-(76 VAL CA)-(76 VAL C)-(77 ASN N) 116.1 136.2
 &rst     iat =  1138,  1140,  1152,  1154,
   r1 = 115.1, r2 = 116.1, r3 = 136.2, r4 = 137.2,
 &end

# 77 ASN PHI:  (76 VAL C)-(77 ASN N)-(77 ASN CA)-(77 ASN C) -134.4 -68.8
 &rst     iat =  1152,  1154,  1156,  1166,
   r1 = -135.4, r2 = -134.4, r3 = -68.8, r4 = -67.8,
 &end

# 77 ASN PSI:  (77 ASN N)-(77 ASN CA)-(77 ASN C)-(78 ASN N) 104.3 138.3
 &rst     iat =  1154,  1156,  1166,  1168,
   r1 = 103.3, r2 = 104.3, r3 = 138.3, r4 = 139.3,
 &end

# 78 ASN PHI:  (77 ASN C)-(78 ASN N)-(78 ASN CA)-(78 ASN C) -93.2 -65.4
 &rst     iat =  1166,  1168,  1170,  1180,
   r1 = -94.2, r2 = -93.2, r3 = -65.4, r4 = -64.4,
 &end

# 79 SER PHI:  (78 ASN C)-(79 SER N)-(79 SER CA)-(79 SER C) -71.0 -55.5
 &rst     iat =  1180,  1182,  1184,  1191,
   r1 = -72.0, r2 = -71.0, r3 = -55.5, r4 = -54.5,
 &end

# 79 SER PSI:  (79 SER N)-(79 SER CA)-(79 SER C)-(80 LEU N) -36.0 -14.0
 &rst     iat =  1182,  1184,  1191,  1193,
   r1 = -37.0, r2 = -36.0, r3 = -14.0, r4 = -13.0,
 &end

# 80 LEU PHI:  (79 SER C)-(80 LEU N)-(80 LEU CA)-(80 LEU C) -74.5 -60.9
 &rst     iat =  1191,  1193,  1195,  1210,
   r1 = -75.5, r2 = -74.5, r3 = -60.9, r4 = -59.9,
 &end

# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 ASP N) -46.5 -27.9
 &rst     iat =  1193,  1195,  1210,  1212,
   r1 = -47.5, r2 = -46.5, r3 = -27.9, r4 = -26.9,
 &end

# 81 ASP PHI:  (80 LEU C)-(81 ASP N)-(81 ASP CA)-(81 ASP C) -80.2 -54.1
 &rst     iat =  1210,  1212,  1214,  1222,
   r1 = -81.2, r2 = -80.2, r3 = -54.1, r4 = -53.1,
 &end

# 81 ASP PSI:  (81 ASP N)-(81 ASP CA)-(81 ASP C)-(82 HIS N) -55.0  -2.8
 &rst     iat =  1212,  1214,  1222,  1224,
   r1 = -56.0, r2 = -55.0, r3 =  -2.8, r4 =  -1.8,
 &end

# 82 HIS PHI:  (81 ASP C)-(82 HIS N)-(82 HIS CA)-(82 HIS C) -87.0 -27.0
 &rst     iat =  1222,  1224,  1226,  1239,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end

# 82 HIS PSI:  (82 HIS N)-(82 HIS CA)-(82 HIS C)-(83 GLU N) -77.0 -17.0
 &rst     iat =  1224,  1226,  1239,  1241,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 84 TYR PHI:  (83 GLU C)-(84 TYR N)-(84 TYR CA)-(84 TYR C) -161.9 -106.6
 &rst     iat =  1254,  1256,  1258,  1275,
   r1 = -162.9, r2 = -161.9, r3 = -106.6, r4 = -105.6,
 &end

# 85 GLN PHI:  (84 TYR C)-(85 GLN N)-(85 GLN CA)-(85 GLN C) -130.1 -92.6
 &rst     iat =  1275,  1277,  1279,  1292,
   r1 = -131.1, r2 = -130.1, r3 = -92.6, r4 = -91.6,
 &end

# 85 GLN PSI:  (85 GLN N)-(85 GLN CA)-(85 GLN C)-(86 PRO N) 104.0 155.2
 &rst     iat =  1277,  1279,  1292,  1294,
   r1 = 103.0, r2 = 104.0, r3 = 155.2, r4 = 156.2,
 &end

# 89 VAL PHI:  (88 PRO C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -60.7 -46.7
 &rst     iat =  1344,  1346,  1348,  1360,
   r1 = -61.7, r2 = -60.7, r3 = -46.7, r4 = -45.7,
 &end

# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 GLU N) -55.1 -37.8
 &rst     iat =  1346,  1348,  1360,  1362,
   r1 = -56.1, r2 = -55.1, r3 = -37.8, r4 = -36.8,
 &end

# 90 GLU PHI:  (89 VAL C)-(90 GLU N)-(90 GLU CA)-(90 GLU C) -68.0 -56.7
 &rst     iat =  1360,  1362,  1364,  1375,
   r1 = -69.0, r2 = -68.0, r3 = -56.7, r4 = -55.7,
 &end

# 90 GLU PSI:  (90 GLU N)-(90 GLU CA)-(90 GLU C)-(91 VAL N) -46.2 -33.6
 &rst     iat =  1362,  1364,  1375,  1377,
   r1 = -47.2, r2 = -46.2, r3 = -33.6, r4 = -32.6,
 &end

# 91 VAL PHI:  (90 GLU C)-(91 VAL N)-(91 VAL CA)-(91 VAL C) -71.2 -61.2
 &rst     iat =  1375,  1377,  1379,  1391,
   r1 = -72.2, r2 = -71.2, r3 = -61.2, r4 = -60.2,
 &end

# 91 VAL PSI:  (91 VAL N)-(91 VAL CA)-(91 VAL C)-(92 ILE N) -50.8 -39.0
 &rst     iat =  1377,  1379,  1391,  1393,
   r1 = -51.8, r2 = -50.8, r3 = -39.0, r4 = -38.0,
 &end

# 92 ILE PHI:  (91 VAL C)-(92 ILE N)-(92 ILE CA)-(92 ILE C) -69.0 -58.6
 &rst     iat =  1391,  1393,  1395,  1410,
   r1 = -70.0, r2 = -69.0, r3 = -58.6, r4 = -57.6,
 &end

# 92 ILE PSI:  (92 ILE N)-(92 ILE CA)-(92 ILE C)-(93 ILE N) -50.2 -40.5
 &rst     iat =  1393,  1395,  1410,  1412,
   r1 = -51.2, r2 = -50.2, r3 = -40.5, r4 = -39.5,
 &end

# 93 ILE PHI:  (92 ILE C)-(93 ILE N)-(93 ILE CA)-(93 ILE C) -65.7 -56.1
 &rst     iat =  1410,  1412,  1414,  1429,
   r1 = -66.7, r2 = -65.7, r3 = -56.1, r4 = -55.1,
 &end

# 93 ILE PSI:  (93 ILE N)-(93 ILE CA)-(93 ILE C)-(94 SER N) -48.3 -35.1
 &rst     iat =  1412,  1414,  1429,  1431,
   r1 = -49.3, r2 = -48.3, r3 = -35.1, r4 = -34.1,
 &end

# 94 SER PHI:  (93 ILE C)-(94 SER N)-(94 SER CA)-(94 SER C) -70.7 -59.2
 &rst     iat =  1429,  1431,  1433,  1440,
   r1 = -71.7, r2 = -70.7, r3 = -59.2, r4 = -58.2,
 &end

# 94 SER PSI:  (94 SER N)-(94 SER CA)-(94 SER C)-(95 SER N) -49.9 -36.1
 &rst     iat =  1431,  1433,  1440,  1442,
   r1 = -50.9, r2 = -49.9, r3 = -36.1, r4 = -35.1,
 &end

# 95 SER PHI:  (94 SER C)-(95 SER N)-(95 SER CA)-(95 SER C) -71.7 -58.4
 &rst     iat =  1440,  1442,  1444,  1451,
   r1 = -72.7, r2 = -71.7, r3 = -58.4, r4 = -57.4,
 &end

# 95 SER PSI:  (95 SER N)-(95 SER CA)-(95 SER C)-(96 ALA N) -49.5 -36.0
 &rst     iat =  1442,  1444,  1451,  1453,
   r1 = -50.5, r2 = -49.5, r3 = -36.0, r4 = -35.0,
 &end

# 96 ALA PHI:  (95 SER C)-(96 ALA N)-(96 ALA CA)-(96 ALA C) -65.8 -58.3
 &rst     iat =  1451,  1453,  1455,  1461,
   r1 = -66.8, r2 = -65.8, r3 = -58.3, r4 = -57.3,
 &end

# 96 ALA PSI:  (96 ALA N)-(96 ALA CA)-(96 ALA C)-(97 LYS N) -50.0 -37.3
 &rst     iat =  1453,  1455,  1461,  1463,
   r1 = -51.0, r2 = -50.0, r3 = -37.3, r4 = -36.3,
 &end

# 97 LYS PHI:  (96 ALA C)-(97 LYS N)-(97 LYS CA)-(97 LYS C) -67.7 -54.9
 &rst     iat =  1461,  1463,  1465,  1483,
   r1 = -68.7, r2 = -67.7, r3 = -54.9, r4 = -53.9,
 &end

# 97 LYS PSI:  (97 LYS N)-(97 LYS CA)-(97 LYS C)-(98 GLU N) -48.4 -36.0
 &rst     iat =  1463,  1465,  1483,  1485,
   r1 = -49.4, r2 = -48.4, r3 = -36.0, r4 = -35.0,
 &end

# 98 GLU PHI:  (97 LYS C)-(98 GLU N)-(98 GLU CA)-(98 GLU C) -80.1 -57.3
 &rst     iat =  1483,  1485,  1487,  1498,
   r1 = -81.1, r2 = -80.1, r3 = -57.3, r4 = -56.3,
 &end

# 98 GLU PSI:  (98 GLU N)-(98 GLU CA)-(98 GLU C)-(99 MET N) -43.4 -19.3
 &rst     iat =  1485,  1487,  1498,  1500,
   r1 = -44.4, r2 = -43.4, r3 = -19.3, r4 = -18.3,
 &end

# 99 MET PHI:  (98 GLU C)-(99 MET N)-(99 MET CA)-(99 MET C) -119.3 -76.2
 &rst     iat =  1498,  1500,  1502,  1515,
   r1 = -120.3, r2 = -119.3, r3 = -76.2, r4 = -75.2,
 &end

# 99 MET PSI:  (99 MET N)-(99 MET CA)-(99 MET C)-(100 VAL N) -27.2  12.3
 &rst     iat =  1500,  1502,  1515,  1517,
   r1 = -28.2, r2 = -27.2, r3 =  12.3, r4 =  13.3,
 &end

# 100 VAL PHI:  (99 MET C)-(100 VAL N)-(100 VAL CA)-(100 VAL C) -67.0 -50.8
 &rst     iat =  1515,  1517,  1519,  1531,
   r1 = -68.0, r2 = -67.0, r3 = -50.8, r4 = -49.8,
 &end

# 100 VAL PSI:  (100 VAL N)-(100 VAL CA)-(100 VAL C)-(101 GLY N) 126.4 144.7
 &rst     iat =  1517,  1519,  1531,  1533,
   r1 = 125.4, r2 = 126.4, r3 = 144.7, r4 = 145.7,
 &end

# 103 LYS PHI:  (102 GLN C)-(103 LYS N)-(103 LYS CA)-(103 LYS C) -147.5 -93.2
 &rst     iat =  1555,  1557,  1559,  1577,
   r1 = -148.5, r2 = -147.5, r3 = -93.2, r4 = -92.2,
 &end

# 103 LYS PSI:  (103 LYS N)-(103 LYS CA)-(103 LYS C)-(104 MET N) 129.6 168.0
 &rst     iat =  1557,  1559,  1577,  1579,
   r1 = 128.6, r2 = 129.6, r3 = 168.0, r4 = 169.0,
 &end

# 104 MET PHI:  (103 LYS C)-(104 MET N)-(104 MET CA)-(104 MET C) -157.6 -126.3
 &rst     iat =  1577,  1579,  1581,  1594,
   r1 = -158.6, r2 = -157.6, r3 = -126.3, r4 = -125.3,
 &end

# 104 MET PSI:  (104 MET N)-(104 MET CA)-(104 MET C)-(105 LYS N) 146.0 158.8
 &rst     iat =  1579,  1581,  1594,  1596,
   r1 = 145.0, r2 = 146.0, r3 = 158.8, r4 = 159.8,
 &end

# 107 SER PHI:  (106 TYR C)-(107 SER N)-(107 SER CA)-(107 SER C) -164.4 -125.3
 &rst     iat =  1637,  1639,  1641,  1648,
   r1 = -165.4, r2 = -164.4, r3 = -125.3, r4 = -124.3,
 &end

# 107 SER PSI:  (107 SER N)-(107 SER CA)-(107 SER C)-(108 ILE N) 146.6 175.9
 &rst     iat =  1639,  1641,  1648,  1650,
   r1 = 145.6, r2 = 146.6, r3 = 175.9, r4 = 176.9,
 &end

# 108 ILE PHI:  (107 SER C)-(108 ILE N)-(108 ILE CA)-(108 ILE C) -111.3 -76.2
 &rst     iat =  1648,  1650,  1652,  1667,
   r1 = -112.3, r2 = -111.3, r3 = -76.2, r4 = -75.2,
 &end

# 108 ILE PSI:  (108 ILE N)-(108 ILE CA)-(108 ILE C)-(109 VAL N) 109.6 147.5
 &rst     iat =  1650,  1652,  1667,  1669,
   r1 = 108.6, r2 = 109.6, r3 = 147.5, r4 = 148.5,
 &end

# 109 VAL PHI:  (108 ILE C)-(109 VAL N)-(109 VAL CA)-(109 VAL C) -87.0 -27.0
 &rst     iat =  1667,  1669,  1671,  1683,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end

# 109 VAL PSI:  (109 VAL N)-(109 VAL CA)-(109 VAL C)-(110 SER N) -77.0 -17.0
 &rst     iat =  1669,  1671,  1683,  1685,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 110 SER PHI:  (109 VAL C)-(110 SER N)-(110 SER CA)-(110 SER C) -87.0 -27.0
 &rst     iat =  1683,  1685,  1687,  1694,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end

# 110 SER PSI:  (110 SER N)-(110 SER CA)-(110 SER C)-(111 ARG N) -77.0 -17.0
 &rst     iat =  1685,  1687,  1694,  1696,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 111 ARG PHI:  (110 SER C)-(111 ARG N)-(111 ARG CA)-(111 ARG C) -87.0 -27.0
 &rst     iat =  1694,  1696,  1698,  1718,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end

# 111 ARG PSI:  (111 ARG N)-(111 ARG CA)-(111 ARG C)-(112 ASN N) -77.0 -17.0
 &rst     iat =  1696,  1698,  1718,  1720,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 112 ASN PHI:  (111 ARG C)-(112 ASN N)-(112 ASN CA)-(112 ASN C) -64.9 -57.6
 &rst     iat =  1718,  1720,  1722,  1732,
   r1 = -65.9, r2 = -64.9, r3 = -57.6, r4 = -56.6,
 &end

# 112 ASN PSI:  (112 ASN N)-(112 ASN CA)-(112 ASN C)-(113 CYS N) -38.5 -19.5
 &rst     iat =  1720,  1722,  1732,  1734,
   r1 = -39.5, r2 = -38.5, r3 = -19.5, r4 = -18.5,
 &end

# 113 CYS PHI:  (112 ASN C)-(113 CYS N)-(113 CYS CA)-(113 CYS C) -87.0 -27.0
 &rst     iat =  1732,  1734,  1736,  1743,
   r1 = -88.0, r2 = -87.0, r3 = -27.0, r4 = -26.0,
 &end

# 113 CYS PSI:  (113 CYS N)-(113 CYS CA)-(113 CYS C)-(114 GLU N) -77.0 -17.0
 &rst     iat =  1734,  1736,  1743,  1745,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 114 GLU PHI:  (113 CYS C)-(114 GLU N)-(114 GLU CA)-(114 GLU C) -69.2 -56.0
 &rst     iat =  1743,  1745,  1747,  1758,
   r1 = -70.2, r2 = -69.2, r3 = -56.0, r4 = -55.0,
 &end

# 114 GLU PSI:  (114 GLU N)-(114 GLU CA)-(114 GLU C)-(115 HIS N) -49.9 -29.9
 &rst     iat =  1745,  1747,  1758,  1760,
   r1 = -50.9, r2 = -49.9, r3 = -29.9, r4 = -28.9,
 &end

# 115 HIS PHI:  (114 GLU C)-(115 HIS N)-(115 HIS CA)-(115 HIS C) -68.0 -59.4
 &rst     iat =  1758,  1760,  1762,  1775,
   r1 = -69.0, r2 = -68.0, r3 = -59.4, r4 = -58.4,
 &end

# 115 HIS PSI:  (115 HIS N)-(115 HIS CA)-(115 HIS C)-(116 PHE N) -45.0 -25.1
 &rst     iat =  1760,  1762,  1775,  1777,
   r1 = -46.0, r2 = -45.0, r3 = -25.1, r4 = -24.1,
 &end

# 116 PHE PHI:  (115 HIS C)-(116 PHE N)-(116 PHE CA)-(116 PHE C) -67.8 -56.6
 &rst     iat =  1775,  1777,  1779,  1795,
   r1 = -68.8, r2 = -67.8, r3 = -56.6, r4 = -55.6,
 &end

# 116 PHE PSI:  (116 PHE N)-(116 PHE CA)-(116 PHE C)-(117 VAL N) -47.7 -34.0
 &rst     iat =  1777,  1779,  1795,  1797,
   r1 = -48.7, r2 = -47.7, r3 = -34.0, r4 = -33.0,
 &end

# 117 VAL PHI:  (116 PHE C)-(117 VAL N)-(117 VAL CA)-(117 VAL C) -71.8 -50.9
 &rst     iat =  1795,  1797,  1799,  1811,
   r1 = -72.8, r2 = -71.8, r3 = -50.9, r4 = -49.9,
 &end

# 117 VAL PSI:  (117 VAL N)-(117 VAL CA)-(117 VAL C)-(118 THR N) -46.3 -29.7
 &rst     iat =  1797,  1799,  1811,  1813,
   r1 = -47.3, r2 = -46.3, r3 = -29.7, r4 = -28.7,
 &end

# 118 THR PHI:  (117 VAL C)-(118 THR N)-(118 THR CA)-(118 THR C) -68.6 -60.1
 &rst     iat =  1811,  1813,  1815,  1825,
   r1 = -69.6, r2 = -68.6, r3 = -60.1, r4 = -59.1,
 &end

# 118 THR PSI:  (118 THR N)-(118 THR CA)-(118 THR C)-(119 GLN N) -48.8 -28.8
 &rst     iat =  1813,  1815,  1825,  1827,
   r1 = -49.8, r2 = -48.8, r3 = -28.8, r4 = -27.8,
 &end

# 119 GLN PHI:  (118 THR C)-(119 GLN N)-(119 GLN CA)-(119 GLN C) -66.9 -59.0
 &rst     iat =  1825,  1827,  1829,  1842,
   r1 = -67.9, r2 = -66.9, r3 = -59.0, r4 = -58.0,
 &end

# 119 GLN PSI:  (119 GLN N)-(119 GLN CA)-(119 GLN C)-(120 LEU N) -48.5 -37.0
 &rst     iat =  1827,  1829,  1842,  1844,
   r1 = -49.5, r2 = -48.5, r3 = -37.0, r4 = -36.0,
 &end

# 120 LEU PHI:  (119 GLN C)-(120 LEU N)-(120 LEU CA)-(120 LEU C) -70.4 -58.1
 &rst     iat =  1842,  1844,  1846,  1861,
   r1 = -71.4, r2 = -70.4, r3 = -58.1, r4 = -57.1,
 &end

# 120 LEU PSI:  (120 LEU N)-(120 LEU CA)-(120 LEU C)-(121 ARG N) -45.9 -22.2
 &rst     iat =  1844,  1846,  1861,  1863,
   r1 = -46.9, r2 = -45.9, r3 = -22.2, r4 = -21.2,
 &end

# 121 ARG PHI:  (120 LEU C)-(121 ARG N)-(121 ARG CA)-(121 ARG C) -107.0 -27.0
 &rst     iat =  1861,  1863,  1865,  1885,
   r1 = -108.0, r2 = -107.0, r3 = -27.0, r4 = -26.0,
 &end

# 121 ARG PSI:  (121 ARG N)-(121 ARG CA)-(121 ARG C)-(122 TYR N) -97.0  -0.5
 &rst     iat =  1863,  1865,  1885,  1887,
   r1 = -98.0, r2 = -97.0, r3 =  -0.5, r4 =   0.5,
 &end

# 122 TYR PHI:  (121 ARG C)-(122 TYR N)-(122 TYR CA)-(122 TYR C) -114.6 -63.5
 &rst     iat =  1885,  1887,  1889,  1906,
   r1 = -115.6, r2 = -114.6, r3 = -63.5, r4 = -62.5,
 &end

# 122 TYR PSI:  (122 TYR N)-(122 TYR CA)-(122 TYR C)-(123 GLY N) -16.8  23.0
 &rst     iat =  1887,  1889,  1906,  1908,
   r1 = -17.8, r2 = -16.8, r3 =  23.0, r4 =  24.0,
 &end

# 123 GLY PHI:  (122 TYR C)-(123 GLY N)-(123 GLY CA)-(123 GLY C) -87.0 -17.0
 &rst     iat =  1906,  1908,  1910,  1913,
   r1 = -88.0, r2 = -87.0, r3 = -17.0, r4 = -16.0,
 &end

# 123 GLY PSI:  (123 GLY N)-(123 GLY CA)-(123 GLY C)-(124 LYS N) -77.0 -17.0
 &rst     iat =  1908,  1910,  1913,  1915,
   r1 = -78.0, r2 = -77.0, r3 = -17.0, r4 = -16.0,
 &end

# 124 LYS PHI:  (123 GLY C)-(124 LYS N)-(124 LYS CA)-(124 LYS C) -143.6 -81.6
 &rst     iat =  1913,  1915,  1917,  1935,
   r1 = -144.6, r2 = -143.6, r3 = -81.6, r4 = -80.6,
 &end

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,39,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=51,45,49,50, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=48,42,46,47, &end
#
#  chirality for residue 4 atoms:  CG N HD2 HD3
 &rst iat=45,41,43,44, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=41,53,52,48, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=57,62,60,61, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=55,70,58,59, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=74,79,77,78, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=76,82,80,81, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=72,87,75,76, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=91,96,94,95, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=93,99,97,98, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=89,102,92,93, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=114,108,112,113, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=111,105,109,110, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=108,104,106,107, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=104,116,115,111, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=122,128,126,127, &end
#
#  chirality for residue 9 atoms:  CD NZ HE2 HE3
 &rst iat=128,134,132,133, &end
#
#  chirality for residue 9 atoms:  CG CE HD2 HD3
 &rst iat=125,131,129,130, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=118,138,121,122, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=150,144,148,149, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=147,141,145,146, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=144,140,142,143, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=140,152,151,147, &end
#
#  chirality for residue 11 atoms:  N C HA2 HA3
 &rst iat=154,159,157,158, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=163,168,166,167, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=161,171,164,165, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=175,180,178,179, &end
#
#  chirality for residue 13 atoms:  CB CD1 CD2 HG
 &rst iat=177,182,186,181, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=173,190,176,177, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=194,198,202,197, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=196,205,203,204, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=192,209,195,196, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=213,218,216,217, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=215,221,219,220, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=211,224,214,215, &end
#
#  chirality for residue 16 atoms:  CA CG2 CG1 HB
 &rst iat=228,232,236,231, &end
#
#  chirality for residue 16 atoms:  CB CD1 HG12 HG13
 &rst iat=230,239,237,238, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=226,243,229,230, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=247,252,250,251, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=245,263,248,249, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=267,272,270,271, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=269,275,273,274, &end
#
#  chirality for residue 18 atoms:  CG NE HD2 HD3
 &rst iat=272,278,276,277, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=265,287,268,269, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=291,296,294,295, &end
#
#  chirality for residue 19 atoms:  CB CD1 CD2 HG
 &rst iat=293,298,302,297, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=289,306,292,293, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=308,313,311,312, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=317,322,320,321, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=315,334,318,319, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=338,343,341,342, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=340,346,344,345, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=336,349,339,340, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=353,358,356,357, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=351,366,354,355, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=370,375,373,374, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=368,390,371,372, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=392,400,395,396, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=404,409,407,408, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=406,411,415,410, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=402,419,405,406, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=423,428,426,427, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=421,440,424,425, &end
#
#  chirality for residue 28 atoms:  CA CG2 CG1 HB
 &rst iat=444,448,452,447, &end
#
#  chirality for residue 28 atoms:  CB CD1 HG12 HG13
 &rst iat=446,455,453,454, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=442,459,445,446, &end
#
#  chirality for residue 29 atoms:  N C HA2 HA3
 &rst iat=461,466,464,465, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=470,475,473,474, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=468,478,471,472, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=480,485,483,484, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=487,506,490,491, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=510,514,518,513, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=508,522,511,512, &end
#
#  chirality for residue 34 atoms:  CA CG2 CG1 HB
 &rst iat=526,530,534,529, &end
#
#  chirality for residue 34 atoms:  CB CD1 HG12 HG13
 &rst iat=528,537,535,536, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=524,541,527,528, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=545,550,548,549, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=543,558,546,547, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=562,567,565,566, &end
#
#  chirality for residue 36 atoms:  CB CD1 CD2 HG
 &rst iat=564,569,573,568, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=560,577,563,564, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=579,587,582,583, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=599,593,597,598, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=596,590,594,595, &end
#
#  chirality for residue 38 atoms:  CG N HD2 HD3
 &rst iat=593,589,591,592, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=589,601,600,596, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=613,607,611,612, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=610,604,608,609, &end
#
#  chirality for residue 39 atoms:  CG N HD2 HD3
 &rst iat=607,603,605,606, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=603,615,614,610, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=619,624,622,623, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=617,626,620,621, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=630,635,633,634, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=632,638,636,637, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=628,641,631,632, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=645,650,648,649, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=643,662,646,647, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=674,668,672,673, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=671,665,669,670, &end
#
#  chirality for residue 43 atoms:  CG N HD2 HD3
 &rst iat=668,664,666,667, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=664,676,675,671, &end
#
#  chirality for residue 44 atoms:  N C HA2 HA3
 &rst iat=678,683,681,682, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=685,693,688,689, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=695,700,698,699, &end
#
#  chirality for residue 47 atoms:  CA OG HB2 HB3
 &rst iat=704,709,707,708, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=702,711,705,706, &end
#
#  chirality for residue 48 atoms:  CA OG HB2 HB3
 &rst iat=715,720,718,719, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=713,722,716,717, &end
#
#  chirality for residue 49 atoms:  CA OG HB2 HB3
 &rst iat=726,731,729,730, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=724,733,727,728, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=737,741,745,740, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=735,749,738,739, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=753,758,756,757, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=751,769,754,755, &end
#
#  chirality for residue 52 atoms:  CA OG HB2 HB3
 &rst iat=773,778,776,777, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=771,780,774,775, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=784,788,792,787, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=782,796,785,786, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=800,805,803,804, &end
#
#  chirality for residue 54 atoms:  CB CD1 CD2 HG
 &rst iat=802,807,811,806, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=798,815,801,802, &end
#
#  chirality for residue 55 atoms:  CA OG HB2 HB3
 &rst iat=819,824,822,823, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=817,826,820,821, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=830,835,833,834, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=828,840,831,832, &end
#
#  chirality for residue 57 atoms:  CA OG HB2 HB3
 &rst iat=844,849,847,848, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=842,851,845,846, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=853,861,856,857, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=865,870,868,869, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=867,873,871,872, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=863,876,866,867, &end
#
#  chirality for residue 60 atoms:  CA CG1 CG2 HB
 &rst iat=880,884,888,883, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=878,892,881,882, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=896,901,899,900, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=898,904,902,903, &end
#
#  chirality for residue 61 atoms:  CD NZ HE2 HE3
 &rst iat=904,910,908,909, &end
#
#  chirality for residue 61 atoms:  CG CE HD2 HD3
 &rst iat=901,907,905,906, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=894,914,897,898, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=918,923,921,922, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=920,926,924,925, &end
#
#  chirality for residue 62 atoms:  CG NE HD2 HD3
 &rst iat=923,929,927,928, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=916,938,919,920, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=942,947,945,946, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=944,950,948,949, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=940,953,943,944, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=957,962,960,961, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=959,965,963,964, &end
#
#  chirality for residue 64 atoms:  CG NE HD2 HD3
 &rst iat=962,968,966,967, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=955,977,958,959, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=981,986,984,985, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=983,988,992,987, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=979,996,982,983, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1000,1005,1003,1004, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1002,1008,1006,1007, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=998,1011,1001,1002, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1015,1020,1018,1019, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1013,1023,1016,1017, &end
#
#  chirality for residue 68 atoms:  CA CG1 CG2 HB
 &rst iat=1027,1031,1035,1030, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1025,1039,1028,1029, &end
#
#  chirality for residue 69 atoms:  CA CG1 CG2 HB
 &rst iat=1043,1047,1051,1046, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1041,1055,1044,1045, &end
#
#  chirality for residue 70 atoms:  N C HA2 HA3
 &rst iat=1057,1062,1060,1061, &end
#
#  chirality for residue 71 atoms:  N C HA2 HA3
 &rst iat=1064,1069,1067,1068, &end
#
#  chirality for residue 72 atoms:  CA SG HB2 HB3
 &rst iat=1073,1078,1076,1077, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1071,1080,1074,1075, &end
#
#  chirality for residue 73 atoms:  CA SG HB2 HB3
 &rst iat=1084,1089,1087,1088, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1082,1091,1085,1086, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1095,1100,1098,1099, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1093,1112,1096,1097, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1116,1121,1119,1120, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1118,1124,1122,1123, &end
#
#  chirality for residue 75 atoms:  CG NE HD2 HD3
 &rst iat=1121,1127,1125,1126, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1114,1136,1117,1118, &end
#
#  chirality for residue 76 atoms:  CA CG1 CG2 HB
 &rst iat=1140,1144,1148,1143, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1138,1152,1141,1142, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1156,1161,1159,1160, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1154,1166,1157,1158, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1170,1175,1173,1174, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1168,1180,1171,1172, &end
#
#  chirality for residue 79 atoms:  CA OG HB2 HB3
 &rst iat=1184,1189,1187,1188, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1182,1191,1185,1186, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1195,1200,1198,1199, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1197,1202,1206,1201, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1193,1210,1196,1197, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1214,1219,1217,1218, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1212,1222,1215,1216, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1226,1231,1229,1230, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1224,1239,1227,1228, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1245,1251,1249,1250, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1241,1254,1244,1245, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1258,1263,1261,1262, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1256,1275,1259,1260, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1279,1284,1282,1283, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1281,1287,1285,1286, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1277,1292,1280,1281, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1304,1298,1302,1303, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1301,1295,1299,1300, &end
#
#  chirality for residue 86 atoms:  CG N HD2 HD3
 &rst iat=1298,1294,1296,1297, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1294,1306,1305,1301, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1310,1315,1313,1314, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1312,1318,1316,1317, &end
#
#  chirality for residue 87 atoms:  CG NE HD2 HD3
 &rst iat=1315,1321,1319,1320, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1308,1330,1311,1312, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1342,1336,1340,1341, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1339,1333,1337,1338, &end
#
#  chirality for residue 88 atoms:  CG N HD2 HD3
 &rst iat=1336,1332,1334,1335, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1332,1344,1343,1339, &end
#
#  CHIrality for residue 89 atoms:  CA CG1 CG2 HB
 &rst iat=1348,1352,1356,1351, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1346,1360,1349,1350, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1364,1369,1367,1368, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1366,1372,1370,1371, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1362,1375,1365,1366, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1379,1383,1387,1382, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1377,1391,1380,1381, &end
#
#  chirality for residue 92 atoms:  CA CG2 CG1 HB
 &rst iat=1395,1399,1403,1398, &end
#
#  chirality for residue 92 atoms:  CB CD1 HG12 HG13
 &rst iat=1397,1406,1404,1405, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1393,1410,1396,1397, &end
#
#  chirality for residue 93 atoms:  CA CG2 CG1 HB
 &rst iat=1414,1418,1422,1417, &end
#
#  chirality for residue 93 atoms:  CB CD1 HG12 HG13
 &rst iat=1416,1425,1423,1424, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1412,1429,1415,1416, &end
#
#  chirality for residue 94 atoms:  CA OG HB2 HB3
 &rst iat=1433,1438,1436,1437, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1431,1440,1434,1435, &end
#
#  chirality for residue 95 atoms:  CA OG HB2 HB3
 &rst iat=1444,1449,1447,1448, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1442,1451,1445,1446, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1453,1461,1456,1457, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1465,1470,1468,1469, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1467,1473,1471,1472, &end
#
#  chirality for residue 97 atoms:  CD NZ HE2 HE3
 &rst iat=1473,1479,1477,1478, &end
#
#  chirality for residue 97 atoms:  CG CE HD2 HD3
 &rst iat=1470,1476,1474,1475, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1463,1483,1466,1467, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1487,1492,1490,1491, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1489,1495,1493,1494, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1485,1498,1488,1489, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1502,1507,1505,1506, &end
#
#  chirality for residue 99 atoms:  CB SD HG2 HG3
 &rst iat=1504,1510,1508,1509, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1500,1515,1503,1504, &end
#
#  chirality for residue 100 atoms:  CA CG1 CG2 HB
 &rst iat=1519,1523,1527,1522, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1517,1531,1520,1521, &end
#
#  chirality for residue 101 atoms:  N C HA2 HA3
 &rst iat=1533,1538,1536,1537, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1542,1547,1545,1546, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1544,1550,1548,1549, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1540,1555,1543,1544, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1559,1564,1562,1563, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1561,1567,1565,1566, &end
#
#  chirality for residue 103 atoms:  CD NZ HE2 HE3
 &rst iat=1567,1573,1571,1572, &end
#
#  chirality for residue 103 atoms:  CG CE HD2 HD3
 &rst iat=1564,1570,1568,1569, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1557,1577,1560,1561, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1581,1586,1584,1585, &end
#
#  chirality for residue 104 atoms:  CB SD HG2 HG3
 &rst iat=1583,1589,1587,1588, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1579,1594,1582,1583, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1598,1603,1601,1602, &end
#
#  chirality for residue 105 atoms:  CB CD HG2 HG3
 &rst iat=1600,1606,1604,1605, &end
#
#  chirality for residue 105 atoms:  CD NZ HE2 HE3
 &rst iat=1606,1612,1610,1611, &end
#
#  chirality for residue 105 atoms:  CG CE HD2 HD3
 &rst iat=1603,1609,1607,1608, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1596,1616,1599,1600, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1620,1625,1623,1624, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1618,1637,1621,1622, &end
#
#  chirality for residue 107 atoms:  CA OG HB2 HB3
 &rst iat=1641,1646,1644,1645, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1639,1648,1642,1643, &end
#
#  chirality for residue 108 atoms:  CA CG2 CG1 HB
 &rst iat=1652,1656,1660,1655, &end
#
#  chirality for residue 108 atoms:  CB CD1 HG12 HG13
 &rst iat=1654,1663,1661,1662, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1650,1667,1653,1654, &end
#
#  chirality for residue 109 atoms:  CA CG1 CG2 HB
 &rst iat=1671,1675,1679,1674, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1669,1683,1672,1673, &end
#
#  chirality for residue 110 atoms:  CA OG HB2 HB3
 &rst iat=1687,1692,1690,1691, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1685,1694,1688,1689, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1698,1703,1701,1702, &end
#
#  chirality for residue 111 atoms:  CB CD HG2 HG3
 &rst iat=1700,1706,1704,1705, &end
#
#  chirality for residue 111 atoms:  CG NE HD2 HD3
 &rst iat=1703,1709,1707,1708, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1696,1718,1699,1700, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1722,1727,1725,1726, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1720,1732,1723,1724, &end
#
#  chirality for residue 113 atoms:  CA SG HB2 HB3
 &rst iat=1736,1741,1739,1740, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1734,1743,1737,1738, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1747,1752,1750,1751, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1749,1755,1753,1754, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1745,1758,1748,1749, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1762,1767,1765,1766, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1760,1775,1763,1764, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1779,1784,1782,1783, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1777,1795,1780,1781, &end
#
#  chirality for residue 117 atoms:  CA CG1 CG2 HB
 &rst iat=1799,1803,1807,1802, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1797,1811,1800,1801, &end
#
#  chirality for residue 118 atoms:  CA CG2 OG1 HB
 &rst iat=1815,1819,1823,1818, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1813,1825,1816,1817, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1829,1834,1832,1833, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1831,1837,1835,1836, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1827,1842,1830,1831, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1846,1851,1849,1850, &end
#
#  chirality for residue 120 atoms:  CB CD1 CD2 HG
 &rst iat=1848,1853,1857,1852, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1844,1861,1847,1848, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1865,1870,1868,1869, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1867,1873,1871,1872, &end
#
#  chirality for residue 121 atoms:  CG NE HD2 HD3
 &rst iat=1870,1876,1874,1875, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1863,1885,1866,1867, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1889,1894,1892,1893, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1887,1906,1890,1891, &end
#
#  chirality for residue 123 atoms:  N C HA2 HA3
 &rst iat=1908,1913,1911,1912, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1917,1922,1920,1921, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1919,1925,1923,1924, &end
#
#  chirality for residue 124 atoms:  CD NZ HE2 HE3
 &rst iat=1925,1931,1929,1930, &end
#
#  chirality for residue 124 atoms:  CG CE HD2 HD3
 &rst iat=1922,1928,1926,1927, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1915,1935,1918,1919, &end
#
#  chirality for residue 125 atoms:  CA OG HB2 HB3
 &rst iat=1939,1944,1942,1943, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1937,1946,1940,1941, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=51,41,39,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=57,55,53,51, &end
#
#  trans-omega constraint for residue 6
 &rst iat=74,72,70,57, &end
#
#  trans-omega constraint for residue 7
 &rst iat=91,89,87,74, &end
#
#  trans-omega constraint for residue 8
 &rst iat=114,104,102,91, &end
#
#  trans-omega constraint for residue 9
 &rst iat=120,118,116,114, &end
#
#  trans-omega constraint for residue 10
 &rst iat=150,140,138,120, &end
#
#  trans-omega constraint for residue 11
 &rst iat=156,154,152,150, &end
#
#  trans-omega constraint for residue 12
 &rst iat=163,161,159,156, &end
#
#  trans-omega constraint for residue 13
 &rst iat=175,173,171,163, &end
#
#  trans-omega constraint for residue 15
 &rst iat=213,211,209,194, &end
#
#  trans-omega constraint for residue 16
 &rst iat=228,226,224,213, &end
#
#  trans-omega constraint for residue 17
 &rst iat=247,245,243,228, &end
#
#  trans-omega constraint for residue 18
 &rst iat=267,265,263,247, &end
#
#  trans-omega constraint for residue 20
 &rst iat=310,308,306,291, &end
#
#  trans-omega constraint for residue 21
 &rst iat=317,315,313,310, &end
#
#  trans-omega constraint for residue 22
 &rst iat=338,336,334,317, &end
#
#  trans-omega constraint for residue 23
 &rst iat=353,351,349,338, &end
#
#  trans-omega constraint for residue 24
 &rst iat=370,368,366,353, &end
#
#  trans-omega constraint for residue 25
 &rst iat=394,392,390,370, &end
#
#  trans-omega constraint for residue 26
 &rst iat=404,402,400,394, &end
#
#  trans-omega constraint for residue 27
 &rst iat=423,421,419,404, &end
#
#  trans-omega constraint for residue 28
 &rst iat=444,442,440,423, &end
#
#  trans-omega constraint for residue 29
 &rst iat=463,461,459,444, &end
#
#  trans-omega constraint for residue 30
 &rst iat=470,468,466,463, &end
#
#  trans-omega constraint for residue 31
 &rst iat=482,480,478,470, &end
#
#  trans-omega constraint for residue 32
 &rst iat=489,487,485,482, &end
#
#  trans-omega constraint for residue 33
 &rst iat=510,508,506,489, &end
#
#  trans-omega constraint for residue 34
 &rst iat=526,524,522,510, &end
#
#  trans-omega constraint for residue 35
 &rst iat=545,543,541,526, &end
#
#  trans-omega constraint for residue 36
 &rst iat=562,560,558,545, &end
#
#  trans-omega constraint for residue 37
 &rst iat=581,579,577,562, &end
#
#  trans-omega constraint for residue 38
 &rst iat=599,589,587,581, &end
#
#  trans-omega constraint for residue 39
 &rst iat=613,603,601,599, &end
#
#  trans-omega constraint for residue 40
 &rst iat=619,617,615,613, &end
#
#  trans-omega constraint for residue 41
 &rst iat=630,628,626,619, &end
#
#  trans-omega constraint for residue 42
 &rst iat=645,643,641,630, &end
#
#  trans-omega constraint for residue 43
 &rst iat=674,664,662,645, &end
#
#  trans-omega constraint for residue 44
 &rst iat=680,678,676,674, &end
#
#  trans-omega constraint for residue 45
 &rst iat=687,685,683,680, &end
#
#  trans-omega constraint for residue 46
 &rst iat=697,695,693,687, &end
#
#  trans-omega constraint for residue 47
 &rst iat=704,702,700,697, &end
#
#  trans-omega constraint for residue 48
 &rst iat=715,713,711,704, &end
#
#  trans-omega constraint for residue 49
 &rst iat=726,724,722,715, &end
#
#  trans-omega constraint for residue 50
 &rst iat=737,735,733,726, &end
#
#  trans-omega constraint for residue 51
 &rst iat=753,751,749,737, &end
#
#  trans-omega constraint for residue 52
 &rst iat=773,771,769,753, &end
#
#  trans-omega constraint for residue 53
 &rst iat=784,782,780,773, &end
#
#  trans-omega constraint for residue 54
 &rst iat=800,798,796,784, &end
#
#  trans-omega constraint for residue 55
 &rst iat=819,817,815,800, &end
#
#  trans-omega constraint for residue 56
 &rst iat=830,828,826,819, &end
#
#  trans-omega constraint for residue 57
 &rst iat=844,842,840,830, &end
#
#  trans-omega constraint for residue 58
 &rst iat=855,853,851,844, &end
#
#  trans-omega constraint for residue 59
 &rst iat=865,863,861,855, &end
#
#  trans-omega constraint for residue 60
 &rst iat=880,878,876,865, &end
#
#  trans-omega constraint for residue 61
 &rst iat=896,894,892,880, &end
#
#  trans-omega constraint for residue 62
 &rst iat=918,916,914,896, &end
#
#  trans-omega constraint for residue 63
 &rst iat=942,940,938,918, &end
#
#  trans-omega constraint for residue 64
 &rst iat=957,955,953,942, &end
#
#  trans-omega constraint for residue 65
 &rst iat=981,979,977,957, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1000,998,996,981, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1015,1013,1011,1000, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1027,1025,1023,1015, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1043,1041,1039,1027, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1059,1057,1055,1043, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1066,1064,1062,1059, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1073,1071,1069,1066, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1084,1082,1080,1073, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1095,1093,1091,1084, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1116,1114,1112,1095, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1140,1138,1136,1116, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1156,1154,1152,1140, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1170,1168,1166,1156, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1184,1182,1180,1170, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1195,1193,1191,1184, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1214,1212,1210,1195, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1226,1224,1222,1214, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1243,1241,1239,1226, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1258,1256,1254,1243, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1304,1294,1292,1279, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1310,1308,1306,1304, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1342,1332,1330,1310, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1348,1346,1344,1342, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1364,1362,1360,1348, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1379,1377,1375,1364, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1395,1393,1391,1379, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1414,1412,1410,1395, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1433,1431,1429,1414, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1444,1442,1440,1433, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1455,1453,1451,1444, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1465,1463,1461,1455, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1487,1485,1483,1465, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1502,1500,1498,1487, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1519,1517,1515,1502, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1535,1533,1531,1519, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1542,1540,1538,1535, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1559,1557,1555,1542, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1581,1579,1577,1559, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1598,1596,1594,1581, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1620,1618,1616,1598, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1641,1639,1637,1620, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1652,1650,1648,1641, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1671,1669,1667,1652, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1687,1685,1683,1671, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1698,1696,1694,1687, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1722,1720,1718,1698, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1736,1734,1732,1722, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1747,1745,1743,1736, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1762,1760,1758,1747, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1779,1777,1775,1762, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1799,1797,1795,1779, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1815,1813,1811,1799, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1829,1827,1825,1815, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1846,1844,1842,1829, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1865,1863,1861,1846, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1889,1887,1885,1865, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1910,1908,1906,1889, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1917,1915,1913,1910, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1939,1937,1935,1917, &end
#
# 12 ASP O 27 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 422, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 12 ASP O 27 LYS N  2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 421, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 13 LEU O 77 ASN HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 191,1155, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 13 LEU O 77 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 191,1154, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 14 ILE O 25 ALA HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 393, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 14 ILE O 25 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 392, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 15 GLU O 75 ARG HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 225,1115, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 15 GLU O 75 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 225,1114, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 16 ILE O 23 HIS HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 352, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 16 ILE O 23 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 351, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 23 HIS O 16 ILE HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 227, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 23 HIS O 16 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 226, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 25 ALA O 14 ILE HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 193, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 25 ALA O 14 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 192, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 26 LEU O 34 ILE HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 525, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 26 LEU O 34 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 524, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 29 GLY O 32 TYR HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 488, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 29 GLY O 32 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 467, 487, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 31 GLY O 65 LEU HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 980, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 31 GLY O 65 LEU N  2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 979, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 32 TYR O 28 ILE HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 443, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 32 TYR O 28 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 442, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 33 VAL O 63 GLU HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 941, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 33 VAL O 63 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 940, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 34 ILE O 26 LEU HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 403, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 34 ILE O 26 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 542, 402, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 35 HIS O 61 LYS HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 895, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 35 HIS O 61 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 559, 894, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 37 ALA O 59 GLU HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 864, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 37 ALA O 59 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 863, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 58 ALA O 104 MET HN  1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 862,1580, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 58 ALA O 104 MET N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat= 862,1579, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 61 LYS O 35 HIS HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 544, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 61 LYS O 35 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 915, 543, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 63 GLU O 33 VAL HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 509, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 63 GLU O 33 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 954, 508, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 64 ARG O 68 VAL HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1026, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 64 ARG O 68 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1025, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 65 LEU O 69 VAL HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1042, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 65 LEU O 69 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 997,1041, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 66 GLU O 70 GLY HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1058, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 66 GLU O 70 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1012,1057, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 73 CYS O 17 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1092, 246, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 73 CYS O 17 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1092, 245, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 75 ARG O 15 GLU HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1137, 212, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 75 ARG O 15 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1137, 211, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 89 VAL O 93 ILE HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1413, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 89 VAL O 93 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1361,1412, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 90 GLU O 94 SER HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1432, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 90 GLU O 94 SER N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1376,1431, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 91 VAL O 95 SER HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1443, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 91 VAL O 95 SER N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1442, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 92 ILE O 96 ALA HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1454, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 92 ILE O 96 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1453, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 93 ILE O 97 LYS HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1464, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 93 ILE O 97 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1430,1463, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 94 SER O 98 GLU HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1486, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 94 SER O 98 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1485, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end

#
# 95 SER O 99 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1486, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 95 SER O 99 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1485, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 104 MET O 58 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1595, 854, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 104 MET O 58 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1595, 853, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 109 VAL O 113 CYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1735, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 109 VAL O 113 CYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1734, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 110 SER O 114 GLU HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1695,1746, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 110 SER O 114 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1695,1745, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 111 SER O 115 HIS HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1719,1761, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 111 SER O 115 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1719,1760, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 112 ASN O 116 PHE HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1733,1778, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 112 ASN O 116 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1733,1777, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 113 CYS O 117 VAL HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1744,1798, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 113 CYS O 117 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1744,1797, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 114 GLU O 118 THR HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1814, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 114 GLU O 118 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1759,1813, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 115 HIS O 119 GLN HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1828, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 115 HIS O 119 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1776,1827, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 116 PHE O 120 LEU HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1796,1845, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 116 PHE O 120 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1796,1844, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 117 VAL O 121 ARG HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1812,1864, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 117 VAL O 121 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1812,1863, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 118 THR O 122 TYR HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1888, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 118 THR O 122 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1826,1887, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#    0 AMB  20-2:1       92 ILE  QD1         5.50    (#      1:20  Single Ambig)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=1918, 157, 158,
 igr2=1407,1408,1409,
 &end
#
#   88 PRO  HG-          92 ILE  QD1         4.50    (#      2:20  Unique         2.92, 4.88 A)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1337,1338,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:3       92 ILE  QD1         4.50    (#      3:20  Single Ambig)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1394,1909,
 igr2=1407,1408,1409,
 &end
#
#   87 ARG  HA           92 ILE  QD1         7.00    (#      4:20  Unique         2.49, 3.73 A)
 &rst
  ixpk= 4, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:5       92 ILE  QD1         4.50    (#      5:20  Single Ambig)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1866,1334,1335,
 igr2=1407,1408,1409,
 &end
#
#   89 VAL  HA           92 ILE  QD1         4.50    (#      6:20  Unique         3.72, 5.21 A)
 &rst
  ixpk= 6, nxpk= 20, iat=1349,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:7       92 ILE  QD1         4.50    (#      7:20  Single Ambig)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1334,1335,1396,
 igr2=1407,1408,1409,
 &end
#
#   92 ILE  HB           92 ILE  QD1         3.50    (#      8:20  Unique         2.53, 3.71 A)
 &rst
  ixpk= 8, nxpk= 20, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:9       92 ILE  QD1         3.50    (#      9:20  Single Ambig)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1404,1405,1920,1921,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:10      92 ILE  QD1         3.50    (#     10:20  Single Ambig)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1920,1921,1871,1872,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:11      92 ILE  QD1         2.80    (#     11:20  Single Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1404,1405,1923,1924,
 igr2=1407,1408,1409,
 &end
#
#   92 ILE  QG2          92 ILE  QD1         2.80    (#     12:20  Unique         2.25, 3.91 A)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1400,1401,1402,
 igr2=1407,1408,1409,
 &end
#
#  121 ARG  HG-          92 ILE  QD1         5.50    (#     13:20  Unique         2.90, 6.19 A)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1871,1872,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:27      92 ILE  QD1         5.50    (#     27:20  Single Ambig)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1309,1413,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:30      34 ILE  QD1         5.50    (#     30:20  Single Ambig)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 525, 544, 895,
 igr2= 538, 539, 540,
 &end
#
#   62 ARG  HA           34 ILE  QD1         5.50    (#     31:20  Unique         4.12, 4.73 A)
 &rst
  ixpk= 31, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 538, 539, 540,
 &end
#
#   34 ILE  HA           34 ILE  QD1         5.50    (#     32:20  Unique         4.41, 4.55 A)
 &rst
  ixpk= 32, nxpk= 20, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:33      34 ILE  QD1         3.50    (#     33:20  Single Ambig)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1471,1472, 535, 536,
 igr2= 538, 539, 540,
 &end
#
#   97 LYS  HN           34 ILE  QD1         5.50    (#     35:20  Unique         3.49, 3.90 A)
 &rst
  ixpk= 35, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:36      34 ILE  QD1         7.00    (#     36:20  Single Ambig)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1=1518,1788,1792,
 igr2= 538, 539, 540,
 &end
#
#   97 LYS  HA           34 ILE  QD1         4.50    (#     38:20  Unique         2.35, 3.12 A)
 &rst
  ixpk= 38, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:39      34 ILE  QD1         5.50    (#     39:20  Single Ambig)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 927, 928, 927, 928,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:40      34 ILE  QD1         4.50    (#     40:20  Single Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1522, 447,
 igr2= 538, 539, 540,
 &end
#
#   97 LYS  HB-          34 ILE  QD1         4.50    (#     41:20  Unique         4.26, 5.00 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1468,1469,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:42      34 ILE  QD1         2.80    (#     42:20  Single Ambig)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1=1458,1459,1460, 921, 922,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:43      34 ILE  QD1         2.80    (#     43:20  Single Ambig)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1524,1525,1526,1528,1529,1530, 535, 536,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:44      28 ILE  QD1         5.50    (#     44:20  Single Ambig)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 443,1464,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:45      28 ILE  QD1         4.50    (#     45:20  Single Ambig)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 445, 464, 465,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:46      28 ILE  QD1         3.50    (#     46:20  Single Ambig)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 927, 928, 927, 928, 492, 493,
 igr2= 456, 457, 458,
 &end
#
#   32 TYR  HB+          28 ILE  QD1         4.50    (#     47:20  Unique         2.44, 3.82 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 492, 493,
 igr2= 456, 457, 458,
 &end
#
#   28 ILE  HB           28 ILE  QD1         3.50    (#     48:20  Unique         2.37, 2.92 A)
 &rst
  ixpk= 48, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:49      28 ILE  QD1         3.50    (#     49:20  Single Ambig)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 535, 536,1471,1472,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:50      28 ILE  QD1         2.80    (#     50:20  Single Ambig)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 924, 925, 453, 454,
 igr2= 456, 457, 458,
 &end
#
#   34 ILE  HG1-         28 ILE  QD1         3.50    (#     52:20  Unique         2.35, 3.93 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 535, 536,
 igr2= 456, 457, 458,
 &end
#
#   11 GLY  HN           93 ILE  QD1         4.50    (#     62:20  Unique         2.19, 3.40 A)
 &rst
  ixpk= 62, nxpk= 20, iat= 155,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1426,1427,1428,
 &end
#
#    0 AMB  20-2:63       0 AMB  20-1:63     4.50    (#     63:20  Double Ambig)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1413,1640,
 igr2=1426,1427,1428,1664,1665,1666,
 &end
#
#   94 SER  HN           93 ILE  QD1         7.00    (#     64:20  Unique         5.09, 5.82 A)
 &rst
  ixpk= 64, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2=1426,1427,1428,
 &end
#
#   29 GLY  HA-          93 ILE  QD1         4.50    (#     65:20  Unique         4.80, 6.51 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 464, 465,
 igr2=1426,1427,1428,
 &end
#
#   11 GLY  HA+          93 ILE  QD1         7.00    (#     66:20  Unique         2.41, 3.96 A)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 157, 158,
 igr2=1426,1427,1428,
 &end
#
#   10 PRO  HA           93 ILE  QD1         4.50    (#     67:20  Unique         2.78, 4.13 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 151,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1426,1427,1428,
 &end
#
#   93 ILE  HA           93 ILE  QD1         4.50    (#     68:20  Unique         2.17, 3.87 A)
 &rst
  ixpk= 68, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1426,1427,1428,
 &end
#
#   11 GLY  HA-          93 ILE  QD1         7.00    (#     69:20  Unique         2.41, 3.96 A)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 157, 158,
 igr2=1426,1427,1428,
 &end
#
#   90 GLU  HG+          93 ILE  QD1         5.50    (#     70:20  Unique         3.81, 7.21 A)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1370,1371,
 igr2=1426,1427,1428,
 &end
#
#   28 ILE  HB           93 ILE  QD1         4.50    (#     71:20  Unique         3.00, 4.46 A)
 &rst
  ixpk= 71, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1426,1427,1428,
 &end
#
#    0 AMB  20-2:72       0 AMB  20-1:72     3.50    (#     72:20  Double Ambig)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1701,1702,1417,
 igr2=1664,1665,1666,1426,1427,1428,
 &end
#
#   93 ILE  HG1+         93 ILE  QD1         3.50    (#     74:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1423,1424,
 igr2=1426,1427,1428,
 &end
#
#    0 AMB  20-2:76      93 ILE  QD1         3.50    (#     76:20  Single Ambig)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1423,1424, 412, 413, 414, 416, 417, 418,
 igr2=1426,1427,1428,
 &end
#
#  108 ILE  HG1-        108 ILE  QD1         3.50    (#     77:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1661,1662,
 igr2=1664,1665,1666,
 &end
#
#    0 AMB  20-2:79       0 AMB  20-1:79     4.50    (#     79:20  Double Ambig)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1365,1644,1645,
 igr2=1426,1427,1428,1664,1665,1666,
 &end
#
#   14 ILE  HN           14 ILE  QD1         7.00    (#     85:20  Unique         2.33, 4.61 A)
 &rst
  ixpk= 85, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 206, 207, 208,
 &end
#
#   27 TYR  HB-          14 ILE  QD1         4.50    (#     86:20  Unique         2.14, 4.08 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 426, 427,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:87      14 ILE  QD1         5.50    (#     87:20  Single Ambig)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 212,1169,
 igr2= 206, 207, 208,
 &end
#
#   27 TYR  HD           14 ILE  QD1         4.50    (#     88:20  Unique         2.78, 5.48 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 430, 439,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:89      14 ILE  QD1         7.00    (#     89:20  Single Ambig)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 462,1107,
 igr2= 206, 207, 208,
 &end
#
#   14 ILE  HA           14 ILE  QD1         4.50    (#     90:20  Unique         4.11, 4.89 A)
 &rst
  ixpk= 90, nxpk= 20, iat= 195,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 206, 207, 208,
 &end
#
#   27 TYR  HB+          14 ILE  QD1         5.50    (#     91:20  Unique         2.14, 4.08 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 426, 427,
 igr2= 206, 207, 208,
 &end
#
#   12 ASP  HB-          14 ILE  QD1         7.00    (#     92:20  Unique         3.91, 6.37 A)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 166, 167,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:93      14 ILE  QD1         4.50    (#     93:20  Single Ambig)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 197, 112, 113,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:94      14 ILE  QD1         3.50    (#     94:20  Single Ambig)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 109, 110, 203, 204,
 igr2= 206, 207, 208,
 &end
#
#   14 ILE  HG1+         14 ILE  QD1         3.50    (#     95:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 203, 204,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:96      14 ILE  QD1         5.50    (#     96:20  Single Ambig)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 233, 234, 235,1426,1427,1428,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:97      14 ILE  QD1         3.50    (#     97:20  Single Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 515, 516, 517, 519, 520, 521, 112, 113,
 igr2= 206, 207, 208,
 &end
#
#  118 THR  HN          118 THR  HB          5.50    (#    131:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 131, nxpk= 20, iat=1814,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 GLN  HN          118 THR  HB          5.50    (#    132:20  Unique         2.67, 3.28 A)
 &rst
  ixpk= 132, nxpk= 20, iat=1828,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 TYR  HA          118 THR  HB          5.50    (#    133:20  Unique         6.01, 6.87 A)
 &rst
  ixpk= 133, nxpk= 20, iat=1890,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 THR  HA          118 THR  HB          3.50    (#    135:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 135, nxpk= 20, iat=1816,1818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 THR  MG2         118 THR  HB          3.50    (#    136:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1820,1821,1822,
 &end
#
#    0 AMB  20-2:137    118 THR  HB          5.50    (#    137:20  Single Ambig)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#   90 GLU  HN           89 VAL  HA          5.50    (#    138:20  Unique         3.60, 3.62 A)
 &rst
  ixpk= 138, nxpk= 20, iat=1363,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:140     89 VAL  HA          5.50    (#    140:20  Single Ambig)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1413, 162,
 &end
#
#    0 AMB  20-2:142     89 VAL  HA          4.50    (#    142:20  Single Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 &end
#
#   89 VAL  HN           89 VAL  HA          4.50    (#    143:20  Unique         2.60, 2.70 A)
 &rst
  ixpk= 143, nxpk= 20, iat=1347,1349, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HN           89 VAL  HA          5.50    (#    144:20  Unique         3.41, 3.59 A)
 &rst
  ixpk= 144, nxpk= 20, iat=1394,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 PRO  HA           89 VAL  HA          5.50    (#    145:20  Unique         4.25, 4.42 A)
 &rst
  ixpk= 145, nxpk= 20, iat=1343,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   89 VAL  HB           89 VAL  HA          3.50    (#    146:20  Unique         2.33, 2.84 A)
 &rst
  ixpk= 146, nxpk= 20, iat=1351,1349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HG1+         89 VAL  HA          5.50    (#    147:20  Unique         2.37, 4.01 A)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#   89 VAL  MGX          89 VAL  HA          3.50    (#    148:20  Unique         2.43, 3.31 A)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   89 VAL  MGY          89 VAL  HA          2.80    (#    149:20  Unique         2.43, 3.31 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#  118 THR  HB          118 THR  HA          3.50    (#    152:20  Unique         2.52, 2.79 A)
 &rst
  ixpk= 152, nxpk= 20, iat=1818,1816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 ARG  HN          118 THR  HA          5.50    (#    153:20  Unique         2.91, 3.26 A)
 &rst
  ixpk= 153, nxpk= 20, iat=1864,1816, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 THR  HN          118 THR  HA          4.50    (#    154:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 154, nxpk= 20, iat=1814,1816, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 ARG  HE          118 THR  HA          5.50    (#    155:20  Unique         2.07, 3.42 A)
 &rst
  ixpk= 155, nxpk= 20, iat=1877,1816, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 TYR  HA          118 THR  HA          4.50    (#    156:20  Unique         5.56, 6.10 A)
 &rst
  ixpk= 156, nxpk= 20, iat=1890,1816, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:157    118 THR  HA          2.80    (#    157:20  Single Ambig)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1868,1869,1820,1821,1822,
 &end
#
#    0 AMB  20-2:158    118 THR  HA          5.50    (#    158:20  Single Ambig)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 183, 184, 185, 187, 188, 189,1407,1408,1409,
 &end
#
#   93 ILE  HN           92 ILE  HA          5.50    (#    159:20  Unique         3.57, 3.61 A)
 &rst
  ixpk= 159, nxpk= 20, iat=1413,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:160     92 ILE  HA          4.50    (#    160:20  Single Ambig)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1394,1909,
 &end
#
#    0 AMB  20-2:161     92 ILE  HA          4.50    (#    161:20  Single Ambig)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1866,1334,1335,
 &end
#
#   92 ILE  HG1+         92 ILE  HA          5.50    (#    162:20  Unique         2.29, 3.27 A)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#   92 ILE  QD1          92 ILE  HA          4.50    (#    163:20  Unique         2.50, 3.66 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1407,1408,1409,
 &end
#
#   92 ILE  QG2          92 ILE  HA          3.50    (#    164:20  Unique         2.31, 3.10 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1400,1401,1402,
 &end
#
#    0 AMB  20-2:165     92 ILE  HA          7.00    (#    165:20  Single Ambig)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 &end
#
#   92 ILE  HB           92 ILE  HA          5.50    (#    167:20  Unique         3.01, 3.03 A)
 &rst
  ixpk= 167, nxpk= 20, iat=1398,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  101 GLY  HN          100 VAL  HA          3.50    (#    170:20  Unique         2.07, 2.10 A)
 &rst
  ixpk= 170, nxpk= 20, iat=1534,1520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLN  HN          100 VAL  HA          4.50    (#    171:20  Unique         3.34, 3.45 A)
 &rst
  ixpk= 171, nxpk= 20, iat=1541,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HN          100 VAL  HA          4.50    (#    172:20  Unique         2.78, 2.81 A)
 &rst
  ixpk= 172, nxpk= 20, iat=1518,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:173    100 VAL  HA          5.50    (#    173:20  Single Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1536,1537,1503,
 &end
#
#    0 AMB  20-2:174    100 VAL  HA          4.50    (#    174:20  Single Ambig)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1536,1537,1466,
 &end
#
#   60 VAL  HB          100 VAL  HA          4.50    (#    175:20  Unique         2.21, 2.32 A)
 &rst
  ixpk= 175, nxpk= 20, iat= 883,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HB          100 VAL  HA          4.50    (#    176:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 176, nxpk= 20, iat=1522,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  MGX         100 VAL  HA          3.50    (#    177:20  Unique         2.43, 3.13 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  MGY         100 VAL  HA          3.50    (#    178:20  Unique         2.43, 3.13 A)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   60 VAL  MGX         100 VAL  HA          3.50    (#    179:20  Unique         2.26, 3.96 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   60 VAL  MGY         100 VAL  HA          5.50    (#    180:20  Unique         2.26, 3.96 A)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:187      0 AMB  20-1:187    3.50    (#    187:20  Double Ambig)
 &rst
  ixpk= 187, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1042,1413,
 igr2=1044,1415,
 &end
#
#   70 GLY  HN           69 VAL  HA          5.50    (#    188:20  Unique         3.48, 3.53 A)
 &rst
  ixpk= 188, nxpk= 20, iat=1058,1044, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 VAL  HB           69 VAL  HA          3.50    (#    190:20  Unique         2.33, 2.89 A)
 &rst
  ixpk= 190, nxpk= 20, iat=1046,1044, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 VAL  MGY          69 VAL  HA          3.50    (#    191:20  Unique         2.29, 3.20 A)
 &rst
  ixpk= 191, nxpk= 20, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:192     69 VAL  HA          2.80    (#    192:20  Single Ambig)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 &end
#
#   95 SER  HN           91 VAL  HA          5.50    (#    201:20  Unique         3.90, 4.01 A)
 &rst
  ixpk= 201, nxpk= 20, iat=1443,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   94 SER  HN           91 VAL  HA          4.50    (#    202:20  Unique         3.27, 3.50 A)
 &rst
  ixpk= 202, nxpk= 20, iat=1432,1380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HN           91 VAL  HA          4.50    (#    203:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 203, nxpk= 20, iat=1378,1380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HB           91 VAL  HA          4.50    (#    204:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 204, nxpk= 20, iat=1382,1380, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 GLU  HB-          91 VAL  HA          5.50    (#    205:20  Unique         4.11, 4.68 A)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1367,1368,
 &end
#
#   91 VAL  MGX          91 VAL  HA          3.50    (#    206:20  Unique         2.45, 3.17 A)
 &rst
  ixpk= 206, nxpk= 20, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   91 VAL  MGY          91 VAL  HA          3.50    (#    207:20  Unique         2.45, 3.17 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#    0 AMB  20-2:208      0 AMB  20-1:208    4.50    (#    208:20  Double Ambig)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 854,1580,
 igr2= 847, 848, 847, 848,
 &end
#
#   57 SER  HN           57 SER  HB+         5.50    (#    209:20  Unique         2.52, 3.51 A)
 &rst
  ixpk= 209, nxpk= 20, iat= 843,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 847, 848,
 &end
#
#   57 SER  HA           57 SER  HB+         3.50    (#    210:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 210, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:212      0 AMB  20-1:212    4.50    (#    212:20  Double Ambig)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1607,1608,1601,1602,1562,1563,
 igr2= 847, 848, 847, 848, 847, 848,
 &end
#
#  125 SER  HN          125 SER  HB+         4.50    (#    213:20  Unique         2.35, 3.08 A)
 &rst
  ixpk= 213, nxpk= 20, iat=1938,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1942,1943,
 &end
#
#    0 AMB  20-2:215      0 AMB  20-1:215    4.50    (#    215:20  Double Ambig)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 856, 820,
 igr2= 847, 848, 847, 848,
 &end
#
#    0 AMB  20-2:216      0 AMB  20-1:216    3.50    (#    216:20  Double Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1599, 614,
 igr2= 847, 848, 847, 848,
 &end
#
#  125 SER  HA          125 SER  HB+         2.80    (#    217:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 217, nxpk= 20, iat=1940,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1942,1943,
 &end
#
#  121 ARG  HB-         125 SER  HB+         5.50    (#    220:20  Unique         2.25, 5.00 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1868,1869,
 igr2=1942,1943,
 &end
#
#   57 SER  HA           57 SER  HB-         3.50    (#    221:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 221, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 847, 848,
 &end
#
#   69 VAL  HN           68 VAL  HA          4.50    (#    223:20  Unique         3.60, 3.64 A)
 &rst
  ixpk= 223, nxpk= 20, iat=1042,1028, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 VAL  HN           68 VAL  HA          3.50    (#    224:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 224, nxpk= 20, iat=1026,1028, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HB           68 VAL  HA          4.50    (#    225:20  Unique         2.58, 3.01 A)
 &rst
  ixpk= 225, nxpk= 20, iat=1030,1028, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:226     68 VAL  HA          2.80    (#    226:20  Single Ambig)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1,1028, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   94 SER  HN           93 ILE  HA          7.00    (#    227:20  Unique         3.56, 3.60 A)
 &rst
  ixpk= 227, nxpk= 20, iat=1432,1415, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   96 ALA  HN           93 ILE  HA          4.50    (#    228:20  Unique         3.20, 3.40 A)
 &rst
  ixpk= 228, nxpk= 20, iat=1454,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HG1+         93 ILE  HA          4.50    (#    230:20  Unique         2.46, 3.05 A)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1423,1424,
 &end
#
#    0 AMB  20-2:231     93 ILE  HA          3.50    (#    231:20  Single Ambig)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 412, 413, 414, 416, 417, 418,1458,1459,1460,
 &end
#
#   93 ILE  QG2          93 ILE  HA          3.50    (#    232:20  Unique         2.49, 3.29 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1419,1420,1421,
 &end
#
#    0 AMB  20-2:233     93 ILE  HA          2.80    (#    233:20  Single Ambig)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1426,1427,1428, 449, 450, 451,
 &end
#
#    0 AMB  20-2:237     57 SER  HB-         4.50    (#    237:20  Single Ambig)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 854,1580,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:238     57 SER  HB-         4.50    (#    238:20  Single Ambig)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1607,1608,1601,1602,1562,1563,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:240     57 SER  HB-         4.50    (#    240:20  Single Ambig)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1599, 614,
 igr2= 847, 848,
 &end
#
#  103 LYS  HD+          57 SER  HB-         4.50    (#    243:20  Unique         2.28, 4.59 A)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1568,1569,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:245     10 PRO  HA          7.00    (#    245:20  Single Ambig)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 129, 130,1316,1317, 984, 985,1313,1314,
 &end
#
#   11 GLY  HN           10 PRO  HA          3.50    (#    246:20  Unique         2.09, 2.17 A)
 &rst
  ixpk= 246, nxpk= 20, iat= 155, 151, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ASP  HN           10 PRO  HA          5.50    (#    247:20  Unique         3.44, 3.78 A)
 &rst
  ixpk= 247, nxpk= 20, iat= 162, 151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 TYR  HD           10 PRO  HA          4.50    (#    249:20  Unique         1.99, 4.01 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 430, 439,
 &end
#
#   10 PRO  HG+          10 PRO  HA          4.50    (#    250:20  Unique         2.64, 3.26 A)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 145, 146,
 &end
#
#   10 PRO  HB-          10 PRO  HA          3.50    (#    251:20  Unique         2.28, 2.69 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 148, 149,
 &end
#
#  120 LEU  HN          117 VAL  HA          4.50    (#    252:20  Unique         2.82, 2.98 A)
 &rst
  ixpk= 252, nxpk= 20, iat=1845,1800, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 VAL  HB          117 VAL  HA          4.50    (#    253:20  Unique         2.39, 2.49 A)
 &rst
  ixpk= 253, nxpk= 20, iat=1802,1800, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LEU  HB-         117 VAL  HA          4.50    (#    254:20  Unique         2.23, 3.21 A)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1849,1850,
 &end
#
#    0 AMB  20-2:255    117 VAL  HA          3.50    (#    255:20  Single Ambig)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1=1804,1805,1806,1808,1809,1810,1852,
 &end
#
#  117 VAL  MGX         117 VAL  HA          3.50    (#    256:20  Unique         2.30, 3.44 A)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  120 LEU  MDX         117 VAL  HA          7.00    (#    257:20  Unique         2.11, 4.10 A)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  MDY         117 VAL  HA          4.50    (#    258:20  Unique         2.11, 4.10 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#   58 ALA  HA           57 SER  HB-         5.50    (#    259:20  Unique         4.63, 4.98 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 856,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:276      0 AMB  20-1:276    5.50    (#    276:20  Double Ambig)
 &rst
  ixpk= 276, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
 igr1= 808, 809, 810, 812, 813, 814, 742, 743, 744, 746,
       747, 748, 742, 743, 744, 746, 747, 748,
 igr2= 822, 823, 822, 823, 822, 823,
 &end
#
#   55 SER  HA           55 SER  HB+         2.80    (#    279:20  Unique         2.26, 2.65 A)
 &rst
  ixpk= 279, nxpk= 20, iat= 820,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 822, 823,
 &end
#
#   53 VAL  MGY          55 SER  HB+         5.50    (#    281:20  Unique         4.57, 8.21 A)
 &rst
  ixpk= 281, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 789, 790, 791, 793, 794, 795,
 igr2= 822, 823,
 &end
#
#  110 SER  HA          110 SER  HB+         2.80    (#    286:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 286, nxpk= 20, iat=1688,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1690,1691,
 &end
#
#  108 ILE  HB          110 SER  HB+         5.50    (#    289:20  Unique         3.80, 5.45 A)
 &rst
  ixpk= 289, nxpk= 20, iat=1655,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1690,1691,
 &end
#
#  110 SER  HA          110 SER  HB-         3.50    (#    291:20  Unique         2.32, 2.69 A)
 &rst
  ixpk= 291, nxpk= 20, iat=1688,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1690,1691,
 &end
#
#    0 AMB  20-2:298     43 PRO  HA          3.50    (#    298:20  Single Ambig)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 669, 670, 633, 634,
 &end
#
#   43 PRO  HD-          43 PRO  HA          5.50    (#    299:20  Unique         3.40, 3.73 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 666, 667,
 &end
#
#    0 AMB  20-2:320     43 PRO  HA          3.50    (#    320:20  Single Ambig)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 666, 667, 311, 312,
 &end
#
#   43 PRO  HB-          43 PRO  HA          2.80    (#    321:20  Unique         2.31, 2.68 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 672, 673,
 &end
#
#    0 AMB  20-2:322     43 PRO  HA          3.50    (#    322:20  Single Ambig)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 672, 673, 294, 295,
 &end
#
#   89 VAL  HN           88 PRO  HA          3.50    (#    330:20  Unique         2.10, 2.19 A)
 &rst
  ixpk= 330, nxpk= 20, iat=1347,1343, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 PRO  HB-          88 PRO  HA          3.50    (#    332:20  Unique         2.29, 2.54 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1340,1341,
 &end
#
#   88 PRO  HB+          88 PRO  HA          3.50    (#    333:20  Unique         2.29, 2.54 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1340,1341,
 &end
#
#    0 AMB  20-2:334     88 PRO  HA          4.50    (#    334:20  Single Ambig)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1353,1354,1355,1357,1358,1359,1923,1924,
 &end
#
#   76 VAL  MGY          76 VAL  HA          4.50    (#    337:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   14 ILE  QG2          76 VAL  HA          5.50    (#    338:20  Unique         2.29, 3.85 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 199, 200, 201,
 &end
#
#   77 ASN  HN           76 VAL  HA          5.50    (#    339:20  Unique         2.10, 2.25 A)
 &rst
  ixpk= 339, nxpk= 20, iat=1155,1141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   89 VAL  HA           88 PRO  HA          7.00    (#    342:20  Unique         4.25, 4.42 A)
 &rst
  ixpk= 342, nxpk= 20, iat=1349,1343, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:343     88 PRO  HA          3.50    (#    343:20  Single Ambig)
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1337,1338,1299,1300,
 &end
#
#   39 PRO  HB+          39 PRO  HA          2.80    (#    346:20  Unique         2.17, 2.53 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 611, 612,
 &end
#
#   39 PRO  HB-          39 PRO  HA          2.80    (#    347:20  Unique         2.17, 2.53 A)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 611, 612,
 &end
#
#    0 AMB  20-2:348     60 VAL  HA          4.50    (#    348:20  Single Ambig)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 580, 864,
 &end
#
#    0 AMB  20-2:352    109 VAL  HA          7.00    (#    352:20  Single Ambig)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,1672, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1735, 324, 333,
 &end
#
#    0 AMB  20-2:354     50 VAL  HA          4.50    (#    354:20  Single Ambig)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 772, 679,
 &end
#
#   50 VAL  HB           50 VAL  HA          3.50    (#    358:20  Unique         2.38, 2.52 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 740, 738, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:359     50 VAL  HA          3.50    (#    359:20  Single Ambig)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
#  120 LEU  MDX          95 SER  HB+         4.50    (#    361:20  Unique         2.83, 5.91 A)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1447,1448,
 &end
#
#    0 AMB  20-2:362     95 SER  HB-         7.00    (#    362:20  Single Ambig)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1458,1459,1460,1852,
 igr2=1447,1448,
 &end
#
#    0 AMB  20-2:363     95 SER  HB-         4.50    (#    363:20  Single Ambig)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1454,1443,
 igr2=1447,1448,
 &end
#
#   95 SER  HA           95 SER  HB-         2.80    (#    365:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 365, nxpk= 20, iat=1445,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1447,1448,
 &end
#
#  120 LEU  MDX          95 SER  HB-         4.50    (#    366:20  Unique         2.83, 5.91 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1447,1448,
 &end
#
#   87 ARG  HN           86 PRO  HA          3.50    (#    376:20  Unique         3.03, 3.28 A)
 &rst
  ixpk= 376, nxpk= 20, iat=1309,1305, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 PRO  HB-          86 PRO  HA          3.50    (#    379:20  Unique         2.26, 2.55 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,1305, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1302,1303,
 &end
#
#    0 AMB  20-2:380      0 AMB  20-1:380    4.50    (#    380:20  Double Ambig)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 121, 897, 164,
 igr2= 115, 881,
 &end
#
#    0 AMB  20-2:381      0 AMB  20-1:381    2.80    (#    381:20  Double Ambig)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1= 112, 113, 885, 886, 887, 889, 890, 891, 565, 566,
      
 igr2= 115, 881,
 &end
#
#   61 LYS  HN           60 VAL  HA          3.50    (#    382:20  Unique         2.20, 2.22 A)
 &rst
  ixpk= 382, nxpk= 20, iat= 895, 881, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  HN           60 VAL  HA          5.50    (#    383:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 383, nxpk= 20, iat= 879, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 VAL  HB           60 VAL  HA          5.50    (#    384:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 384, nxpk= 20, iat= 883, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 VAL  MGY          60 VAL  HA          3.50    (#    385:20  Unique         2.45, 3.16 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:386    109 VAL  HA          3.50    (#    386:20  Single Ambig)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,1672, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1721,1686,
 &end
#
#  109 VAL  HB          109 VAL  HA          3.50    (#    393:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 393, nxpk= 20, iat=1674,1672, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 VAL  MGY         109 VAL  HA          2.80    (#    394:20  Unique         2.46, 3.34 A)
 &rst
  ixpk= 394, nxpk= 20, iat=  -1,1672, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1676,1677,1678,1680,1681,1682,
 &end
#
#   51 PHE  HA           50 VAL  HA          4.50    (#    395:20  Unique         4.31, 4.55 A)
 &rst
  ixpk= 395, nxpk= 20, iat= 754, 738, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 SER  HN           95 SER  HB+         4.50    (#    396:20  Unique         4.89, 5.63 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1447,1448,
 &end
#
#   95 SER  HN           95 SER  HB+         3.50    (#    398:20  Unique         2.51, 3.06 A)
 &rst
  ixpk= 398, nxpk= 20, iat=1443,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1447,1448,
 &end
#
#    9 LYS  HN            8 PRO  HA          3.50    (#    402:20  Unique         2.34, 2.41 A)
 &rst
  ixpk= 402, nxpk= 20, iat= 119, 115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 PRO  HB-           8 PRO  HA          3.50    (#    403:20  Unique         2.29, 2.51 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 112, 113,
 &end
#
#    9 LYS  HG+           8 PRO  HA          5.50    (#    404:20  Unique         3.09, 5.10 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 126, 127,
 &end
#
#    0 AMB  20-2:405      8 PRO  HA          4.50    (#    405:20  Single Ambig)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110, 203, 204,
 &end
#
#    0 AMB  20-2:406      0 AMB  20-1:406    4.50    (#    406:20  Double Ambig)
 &rst
  ixpk= 406, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.53, r4= 8.28,
 igr1= 109, 110,1524,1525,1526,1528,1529,1530, 858, 859,
       860,
 igr2= 115, 881,
 &end
#
#   76 VAL  MGX           8 PRO  HA          2.80    (#    407:20  Unique         2.09, 3.77 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   94 SER  HN           94 SER  HA          3.50    (#    409:20  Unique         2.81, 2.83 A)
 &rst
  ixpk= 409, nxpk= 20, iat=1432,1434, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 LYS  HB-          94 SER  HA          3.50    (#    410:20  Unique         2.65, 3.65 A)
 &rst
  ixpk= 410, nxpk= 20, iat=  -1,1434, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1468,1469,
 &end
#
#    0 AMB  20-2:411      0 AMB  20-1:411    4.50    (#    411:20  Double Ambig)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1474,1475,1249,1250,
 igr2=1434,1185,
 &end
#
#   95 SER  HN           95 SER  HA          3.50    (#    416:20  Unique         2.81, 2.82 A)
 &rst
  ixpk= 416, nxpk= 20, iat=1443,1445, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 SER  HB+          95 SER  HA          3.50    (#    418:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1447,1448,
 &end
#
#   95 SER  HB-          95 SER  HA          3.50    (#    419:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1447,1448,
 &end
#
#   98 GLU  HG-          95 SER  HA          4.50    (#    420:20  Unique         3.22, 4.04 A)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1493,1494,
 &end
#
#   98 GLU  HB-          95 SER  HA          3.50    (#    421:20  Unique         2.37, 3.33 A)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1490,1491,
 &end
#
#   98 GLU  HN           95 SER  HA          5.50    (#    422:20  Unique         3.22, 3.45 A)
 &rst
  ixpk= 422, nxpk= 20, iat=1486,1445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LEU  MDX          95 SER  HA          7.00    (#    423:20  Unique         4.72, 7.57 A)
 &rst
  ixpk= 423, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  113 CYS  HB-         113 CYS  HA          3.50    (#    425:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 425, nxpk= 20, iat=  -1,1737, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1739,1740,
 &end
#
#  116 PHE  HB+         113 CYS  HA          5.50    (#    426:20  Unique         2.28, 3.33 A)
 &rst
  ixpk= 426, nxpk= 20, iat=  -1,1737, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1782,1783,
 &end
#
#   36 LEU  HB-         113 CYS  HA          5.50    (#    427:20  Unique         2.90, 4.60 A)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,1737, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 565, 566,
 &end
#
#   36 LEU  MDY         113 CYS  HA          4.50    (#    429:20  Unique         2.58, 6.06 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,1737, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#   36 LEU  MDX         113 CYS  HA          5.50    (#    430:20  Unique         2.58, 6.06 A)
 &rst
  ixpk= 430, nxpk= 20, iat=  -1,1737, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#  116 PHE  HN          116 PHE  HA          4.50    (#    432:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 432, nxpk= 20, iat=1778,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 PHE  HD          116 PHE  HA          3.50    (#    433:20  Unique         2.34, 3.64 A)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1786,1794,
 &end
#
#  119 GLN  HE2+        116 PHE  HA          3.50    (#    434:20  Unique         2.59, 5.32 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  116 PHE  HB-         116 PHE  HA          3.50    (#    436:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1782,1783,
 &end
#
#  119 GLN  HN          116 PHE  HA          5.50    (#    438:20  Unique         3.31, 3.55 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1828,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 PHE  HB+         116 PHE  HA          4.50    (#    439:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1782,1783,
 &end
#
#   28 ILE  HB           28 ILE  HA          5.50    (#    445:20  Unique         2.36, 2.39 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 447, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 ILE  QG2          28 ILE  HA          5.50    (#    446:20  Unique         3.18, 4.37 A)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1419,1420,1421,
 &end
#
#    0 AMB  20-2:447     28 ILE  HA          4.50    (#    447:20  Single Ambig)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1426,1427,1428, 449, 450, 451,
 &end
#
#   73 CYS  HB+          16 ILE  HA          5.50    (#    451:20  Unique         4.85, 5.56 A)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1087,1088,
 &end
#
#   16 ILE  HG1+         16 ILE  HA          7.00    (#    454:20  Unique         2.47, 3.11 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 237, 238,
 &end
#
#    0 AMB  20-2:455     16 ILE  HA          5.50    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1115,1083,
 &end
#
#   17 PHE  HN           16 ILE  HA          3.50    (#    456:20  Unique         2.08, 2.14 A)
 &rst
  ixpk= 456, nxpk= 20, iat= 246, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 TYR  HA           16 ILE  HA          4.50    (#    457:20  Unique         2.13, 2.23 A)
 &rst
  ixpk= 457, nxpk= 20, iat=1096, 229, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:458     16 ILE  HA          4.50    (#    458:20  Single Ambig)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1098,1099,1098,1099,
 &end
#
#   16 ILE  QG2          16 ILE  HA          4.50    (#    459:20  Unique         2.51, 3.07 A)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  20-2:460     16 ILE  HA          4.50    (#    460:20  Single Ambig)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 240, 241, 242, 237, 238,
 &end
#
#   97 LYS  HN           97 LYS  HA          4.50    (#    462:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 462, nxpk= 20, iat=1464,1466, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 GLU  HN           97 LYS  HA          5.50    (#    463:20  Unique         3.53, 3.58 A)
 &rst
  ixpk= 463, nxpk= 20, iat=1486,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  HB           97 LYS  HA          5.50    (#    465:20  Unique         2.45, 2.92 A)
 &rst
  ixpk= 465, nxpk= 20, iat=1522,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 LYS  HG-          97 LYS  HA          3.50    (#    466:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1471,1472,
 &end
#
#   34 ILE  QD1          97 LYS  HA          3.50    (#    467:20  Unique         2.35, 3.12 A)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 538, 539, 540,
 &end
#
#  100 VAL  HN           97 LYS  HA          5.50    (#    468:20  Unique         2.90, 3.16 A)
 &rst
  ixpk= 468, nxpk= 20, iat=1518,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 LYS  HG+          97 LYS  HA          3.50    (#    469:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1471,1472,
 &end
#
#    0 AMB  20-2:470     97 LYS  HA          4.50    (#    470:20  Single Ambig)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1474,1475, 535, 536,
 &end
#
#    0 AMB  20-2:471     97 LYS  HA          5.50    (#    471:20  Single Ambig)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1458,1459,1460, 921, 922,
 &end
#
#  100 VAL  MGX          97 LYS  HA          2.80    (#    472:20  Unique         2.25, 4.27 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   34 ILE  QG2          97 LYS  HA          5.50    (#    473:20  Unique         4.19, 5.35 A)
 &rst
  ixpk= 473, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 531, 532, 533,
 &end
#
#   73 CYS  HN           72 CYS  HA          3.50    (#    479:20  Unique         2.18, 2.25 A)
 &rst
  ixpk= 479, nxpk= 20, iat=1083,1074, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 CYS  HN           72 CYS  HA          4.50    (#    480:20  Unique         2.90, 2.97 A)
 &rst
  ixpk= 480, nxpk= 20, iat=1072,1074, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 CYS  HB-          72 CYS  HA          4.50    (#    481:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 481, nxpk= 20, iat=  -1,1074, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1076,1077,
 &end
#
#  125 SER  HN          125 SER  HA          4.50    (#    483:20  Unique         2.68, 2.83 A)
 &rst
  ixpk= 483, nxpk= 20, iat=1938,1940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 SER  HB+         125 SER  HA          3.50    (#    488:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1942,1943,
 &end
#
#    0 AMB  20-2:490    125 SER  HA          5.50    (#    490:20  Single Ambig)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1868,1869,1820,1821,1822,
 &end
#
#    0 AMB  20-2:492    125 SER  HA          5.50    (#    492:20  Single Ambig)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#   93 ILE  HG1+         90 GLU  HA          5.50    (#    496:20  Unique         2.44, 3.83 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1423,1424,
 &end
#
#   90 GLU  HN           90 GLU  HA          3.50    (#    497:20  Unique         2.81, 2.84 A)
 &rst
  ixpk= 497, nxpk= 20, iat=1363,1365, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HN           90 GLU  HA          4.50    (#    498:20  Unique         3.22, 3.34 A)
 &rst
  ixpk= 498, nxpk= 20, iat=1413,1365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 SER  HN           90 GLU  HA          5.50    (#    499:20  Unique         3.78, 3.88 A)
 &rst
  ixpk= 499, nxpk= 20, iat=1432,1365, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 VAL  HN           90 GLU  HA          4.50    (#    500:20  Unique         3.48, 3.51 A)
 &rst
  ixpk= 500, nxpk= 20, iat=1378,1365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 GLU  HG+          90 GLU  HA          3.50    (#    504:20  Unique         2.48, 3.27 A)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1370,1371,
 &end
#
#   93 ILE  HB           90 GLU  HA          3.50    (#    506:20  Unique         2.29, 2.53 A)
 &rst
  ixpk= 506, nxpk= 20, iat=1417,1365, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HG1-         90 GLU  HA          5.50    (#    507:20  Unique         2.44, 3.83 A)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1423,1424,
 &end
#
#    0 AMB  20-2:508     90 GLU  HA          4.50    (#    508:20  Single Ambig)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1353,1354,1355,1357,1358,1359,1419,1420,1421,
 &end
#
#   93 ILE  QD1          90 GLU  HA          4.50    (#    509:20  Unique         2.79, 4.67 A)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1426,1427,1428,
 &end
#
#   73 CYS  HB+          73 CYS  HA          3.50    (#    518:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 518, nxpk= 20, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1087,1088,
 &end
#
#   69 VAL  MGY          73 CYS  HA          5.50    (#    519:20  Unique         4.17, 6.29 A)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   66 GLU  HN           66 GLU  HA          3.50    (#    520:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 520, nxpk= 20, iat= 999,1001, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:521     66 GLU  HA          4.50    (#    521:20  Single Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1058,1026,
 &end
#
#   67 ASP  HN           66 GLU  HA          4.50    (#    522:20  Unique         3.47, 3.52 A)
 &rst
  ixpk= 522, nxpk= 20, iat=1014,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 GLU  HG+          66 GLU  HA          3.50    (#    524:20  Unique         3.74, 3.81 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1006,1007,
 &end
#
#   66 GLU  HB-          66 GLU  HA          2.80    (#    525:20  Unique         2.34, 2.45 A)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1003,1004,
 &end
#
#   69 VAL  MGY          66 GLU  HA          3.50    (#    526:20  Unique         2.24, 4.74 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  MGX          66 GLU  HA          3.50    (#    527:20  Unique         2.24, 4.74 A)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HN           73 CYS  HA          3.50    (#    531:20  Unique         2.34, 2.41 A)
 &rst
  ixpk= 531, nxpk= 20, iat=1094,1085, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HG1+        121 ARG  HA          5.50    (#    534:20  Unique         2.58, 4.22 A)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#  121 ARG  HB+         121 ARG  HA          3.50    (#    535:20  Unique         2.20, 2.54 A)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1868,1869,
 &end
#
#    0 AMB  20-2:536    121 ARG  HA          3.50    (#    536:20  Single Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1868,1869,1404,1405,
 &end
#
#   92 ILE  QD1         121 ARG  HA          3.50    (#    537:20  Unique         2.17, 3.31 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1407,1408,1409,
 &end
#
#   92 ILE  QG2         121 ARG  HA          4.50    (#    538:20  Unique         2.37, 3.81 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1400,1401,1402,
 &end
#
#  121 ARG  HG-         121 ARG  HA          4.50    (#    539:20  Unique         2.46, 3.53 A)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1871,1872,
 &end
#
#   65 LEU  HB-          65 LEU  HA          4.50    (#    541:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 984, 985,
 &end
#
#   66 GLU  HN           65 LEU  HA          5.50    (#    542:20  Unique         3.58, 3.61 A)
 &rst
  ixpk= 542, nxpk= 20, iat= 999, 982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 LEU  HN           65 LEU  HA          4.50    (#    543:20  Unique         2.81, 2.85 A)
 &rst
  ixpk= 543, nxpk= 20, iat= 980, 982, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 VAL  HN           65 LEU  HA          5.50    (#    544:20  Unique         3.43, 3.63 A)
 &rst
  ixpk= 544, nxpk= 20, iat=1026, 982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:545     65 LEU  HA          4.50    (#    545:20  Single Ambig)
 &rst
  ixpk= 545, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 958, 483, 484,
 &end
#
#   68 VAL  HB           65 LEU  HA          4.50    (#    546:20  Unique         2.75, 3.11 A)
 &rst
  ixpk= 546, nxpk= 20, iat=1030, 982, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:547     65 LEU  HA          3.50    (#    547:20  Single Ambig)
 &rst
  ixpk= 547, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 984, 985, 987,
 &end
#
#   33 VAL  MGX          65 LEU  HA          4.50    (#    548:20  Unique         2.15, 3.60 A)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   65 LEU  MDY          65 LEU  HA          4.50    (#    549:20  Unique         2.22, 3.94 A)
 &rst
  ixpk= 549, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:550     65 LEU  HA          2.80    (#    550:20  Single Ambig)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 515, 516, 517, 519, 520, 521, 989, 990, 991, 993,
       994, 995,1032,1033,1034,1036,1037,1038,1032,1033,
      1034,1036,1037,1038,
 &end
#
#   18 ARG  HN           17 PHE  HA          4.50    (#    553:20  Unique         2.20, 2.29 A)
 &rst
  ixpk= 553, nxpk= 20, iat= 266, 248, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 PHE  HB-          17 PHE  HA          5.50    (#    554:20  Unique         2.35, 2.75 A)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1, 248, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 250, 251,
 &end
#
#   22 GLU  HG-          17 PHE  HA          7.00    (#    555:20  Unique         1.96, 3.02 A)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1, 248, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 344, 345,
 &end
#
#  119 GLN  HN          119 GLN  HA          3.50    (#    556:20  Unique         2.80, 2.85 A)
 &rst
  ixpk= 556, nxpk= 20, iat=1828,1830, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:557    121 ARG  HA          4.50    (#    557:20  Single Ambig)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1290,1291,1916,
 &end
#
#    0 AMB  20-2:558      0 AMB  20-1:558    5.50    (#    558:20  Double Ambig)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1290,1291,1845,
 igr2=1866,1830,
 &end
#
#    0 AMB  20-2:559      0 AMB  20-1:559    4.50    (#    559:20  Double Ambig)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1818,1780,1918,
 igr2=1830,1866,
 &end
#
#  119 GLN  HG-         119 GLN  HA          5.50    (#    561:20  Unique         2.46, 3.10 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1835,1836,
 &end
#
#  119 GLN  HG+         119 GLN  HA          3.50    (#    562:20  Unique         2.46, 3.10 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1835,1836,
 &end
#
#  119 GLN  HB-         119 GLN  HA          2.80    (#    563:20  Unique         2.30, 2.74 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#  119 GLN  HB+         119 GLN  HA          2.80    (#    564:20  Unique         2.30, 2.74 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#   55 SER  HB+          55 SER  HA          2.80    (#    570:20  Unique         2.26, 2.65 A)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1, 820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 822, 823,
 &end
#
#    0 AMB  20-2:573      0 AMB  20-1:573    4.50    (#    573:20  Double Ambig)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1753,1754,1820,1821,1822,
 igr2=1688,1763,
 &end
#
#  118 THR  HN          115 HIS  HA          5.50    (#    574:20  Unique         3.17, 3.54 A)
 &rst
  ixpk= 574, nxpk= 20, iat=1814,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:575    115 HIS  HA          4.50    (#    575:20  Single Ambig)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1761,1828,
 &end
#
#  115 HIS  HB-         115 HIS  HA          3.50    (#    576:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1765,1766,
 &end
#
#  111 ARG  HN          110 SER  HA          4.50    (#    577:20  Unique         3.61, 3.63 A)
 &rst
  ixpk= 577, nxpk= 20, iat=1697,1688, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:578    110 SER  HA          3.50    (#    578:20  Single Ambig)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1,1688, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1690,1691,1690,1691,
 &end
#
#  114 GLU  HN          114 GLU  HA          5.50    (#    579:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 579, nxpk= 20, iat=1746,1748, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TRP  HB-         114 GLU  HA          5.50    (#    580:20  Unique         3.76, 5.48 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 373, 374,
 &end
#
#  114 GLU  HB-         114 GLU  HA          4.50    (#    581:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1750,1751,
 &end
#
#    0 AMB  20-2:582    114 GLU  HA          3.50    (#    582:20  Single Ambig)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1804,1805,1806,1808,1809,1810,1753,1754,
 &end
#
#  114 GLU  HG-         114 GLU  HA          4.50    (#    583:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1753,1754,
 &end
#
#   56 ASN  HB-          55 SER  HA          5.50    (#    587:20  Unique         4.95, 5.44 A)
 &rst
  ixpk= 587, nxpk= 20, iat=  -1, 820, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 833, 834,
 &end
#
#   83 GLU  HN           82 HIS  HA          5.50    (#    596:20  Unique         3.40, 3.50 A)
 &rst
  ixpk= 596, nxpk= 20, iat=1242,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 GLU  HG+          98 GLU  HA          3.50    (#    599:20  Unique         2.39, 3.02 A)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1493,1494,
 &end
#
#   97 LYS  HN           98 GLU  HA          7.00    (#    600:20  Unique         5.33, 5.36 A)
 &rst
  ixpk= 600, nxpk= 20, iat=1464,1488, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   98 GLU  HN           98 GLU  HA          3.50    (#    601:20  Unique         2.83, 2.85 A)
 &rst
  ixpk= 601, nxpk= 20, iat=1486,1488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 MET  HN           98 GLU  HA          4.50    (#    602:20  Unique         3.53, 3.55 A)
 &rst
  ixpk= 602, nxpk= 20, iat=1501,1488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HN           98 GLU  HA          5.50    (#    603:20  Unique         4.00, 4.28 A)
 &rst
  ixpk= 603, nxpk= 20, iat=1518,1488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 GLU  HB-          98 GLU  HA          2.80    (#    604:20  Unique         2.58, 2.82 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1490,1491,
 &end
#
#   97 LYS  HB-          98 GLU  HA          5.50    (#    605:20  Unique         4.26, 4.63 A)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1468,1469,
 &end
#
#    0 AMB  20-2:607     82 HIS  HA          2.80    (#    607:20  Single Ambig)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1229,1230,1229,1230,
 &end
#
#  120 LEU  HN          120 LEU  HA          4.50    (#    616:20  Unique         2.83, 2.87 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1845,1847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LEU  HB-         120 LEU  HA          4.50    (#    618:20  Unique         2.47, 2.80 A)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1849,1850,
 &end
#
#  120 LEU  HG          120 LEU  HA          4.50    (#    619:20  Unique         2.71, 2.86 A)
 &rst
  ixpk= 619, nxpk= 20, iat=1852,1847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LEU  HB+         120 LEU  HA          4.50    (#    620:20  Unique         2.47, 2.80 A)
 &rst
  ixpk= 620, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1849,1850,
 &end
#
#   92 ILE  QG2         120 LEU  HA          4.50    (#    621:20  Unique         3.70, 4.83 A)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1400,1401,1402,
 &end
#
#  120 LEU  MDX         120 LEU  HA          2.80    (#    622:20  Unique         2.14, 3.87 A)
 &rst
  ixpk= 622, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  MDY         120 LEU  HA          4.50    (#    623:20  Unique         2.14, 3.87 A)
 &rst
  ixpk= 623, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#   58 ALA  HN          105 LYS  HA          4.50    (#    625:20  Unique         2.79, 3.37 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 854,1599, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:626    105 LYS  HA          3.50    (#    626:20  Single Ambig)
 &rst
  ixpk= 626, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1597,1640,
 &end
#
#   39 PRO  HG-         105 LYS  HA          4.50    (#    630:20  Unique         3.62, 5.13 A)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 608, 609,
 &end
#
#  105 LYS  HB+         105 LYS  HA          2.80    (#    631:20  Unique         2.44, 2.84 A)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1601,1602,
 &end
#
#  105 LYS  HG+         105 LYS  HA          4.50    (#    632:20  Unique         2.36, 3.33 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1604,1605,
 &end
#
#  105 LYS  HG-         105 LYS  HA          4.50    (#    633:20  Unique         2.36, 3.33 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1604,1605,
 &end
#
#    0 AMB  20-2:636     64 ARG  HA          3.50    (#    636:20  Single Ambig)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 960, 961, 960, 961,
 &end
#
#    0 AMB  20-2:637     64 ARG  HA          5.50    (#    637:20  Single Ambig)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 &end
#
#  103 LYS  HN          102 GLN  HA          2.80    (#    649:20  Unique         2.09, 2.21 A)
 &rst
  ixpk= 649, nxpk= 20, iat=1558,1543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLN  HN          102 GLN  HA          3.50    (#    650:20  Unique         2.88, 2.91 A)
 &rst
  ixpk= 650, nxpk= 20, iat=1541,1543, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 LYS  HA          102 GLN  HA          5.50    (#    651:20  Unique         4.25, 4.42 A)
 &rst
  ixpk= 651, nxpk= 20, iat=1560,1543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLN  HG-         102 GLN  HA          4.50    (#    652:20  Unique         2.89, 3.56 A)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1548,1549,
 &end
#
#  102 GLN  HB-         102 GLN  HA          2.80    (#    653:20  Unique         2.28, 2.66 A)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1545,1546,
 &end
#
#   60 VAL  HN          102 GLN  HA          5.50    (#    654:20  Unique         4.93, 5.03 A)
 &rst
  ixpk= 654, nxpk= 20, iat= 879,1543, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLN  HG+         102 GLN  HA          3.50    (#    655:20  Unique         2.89, 3.56 A)
 &rst
  ixpk= 655, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1548,1549,
 &end
#
#   84 TYR  HN           83 GLU  HA          3.50    (#    657:20  Unique         3.31, 3.45 A)
 &rst
  ixpk= 657, nxpk= 20, iat=1257,1244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 GLU  HN           83 GLU  HA          3.50    (#    658:20  Unique         2.87, 2.92 A)
 &rst
  ixpk= 658, nxpk= 20, iat=1242,1244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 GLU  HG+          83 GLU  HA          3.50    (#    659:20  Unique         2.45, 3.45 A)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1249,1250,
 &end
#
#   83 GLU  HB+          83 GLU  HA          2.80    (#    660:20  Unique         2.41, 2.75 A)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1246,1247,
 &end
#
#    0 AMB  20-2:661     64 ARG  HA          3.50    (#    661:20  Single Ambig)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 956, 509,
 &end
#
#   65 LEU  HN           64 ARG  HA          3.50    (#    662:20  Unique         2.10, 2.18 A)
 &rst
  ixpk= 662, nxpk= 20, iat= 980, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 TYR  HD           64 ARG  HA          5.50    (#    663:20  Unique         2.82, 4.18 A)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 496, 505,
 &end
#
#   32 TYR  HA           64 ARG  HA          3.50    (#    664:20  Unique         2.24, 2.48 A)
 &rst
  ixpk= 664, nxpk= 20, iat= 490, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 ARG  HG-          64 ARG  HA          4.50    (#    665:20  Unique         2.31, 2.83 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 963, 964,
 &end
#
#    0 AMB  20-2:672     67 ASP  HA          4.50    (#    672:20  Single Ambig)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1026,1058,
 &end
#
#   67 ASP  HN           67 ASP  HA          3.50    (#    673:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 673, nxpk= 20, iat=1014,1016, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:674     67 ASP  HA          2.80    (#    674:20  Single Ambig)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1018,1019,1018,1019,
 &end
#
#    0 AMB  20-2:676     67 ASP  HA          4.50    (#    676:20  Single Ambig)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:677     19 LEU  HA          4.50    (#    677:20  Single Ambig)
 &rst
  ixpk= 677, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 276, 277, 250, 251,
 &end
#
#    0 AMB  20-2:678      0 AMB  20-1:678    3.50    (#    678:20  Double Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 818, 799,1721,
 igr2= 631,1699,
 &end
#
#   41 GLU  HG+          41 GLU  HA          3.50    (#    680:20  Unique         2.21, 3.26 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1, 631, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 636, 637,
 &end
#
#    0 AMB  20-2:681      0 AMB  20-1:681    2.80    (#    681:20  Double Ambig)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 633, 634,1701,1702,
 igr2= 631,1699,
 &end
#
#    0 AMB  20-2:682      0 AMB  20-1:682    3.50    (#    682:20  Double Ambig)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 633, 634,1704,1705,1701,1702,
 igr2= 631,1699,
 &end
#
#    0 AMB  20-2:688      0 AMB  20-1:688    3.50    (#    688:20  Double Ambig)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1060,1061, 311, 312,
 igr2=1016, 292,
 &end
#
#   20 GLY  HN           19 LEU  HA          3.50    (#    689:20  Unique         2.43, 3.03 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 309, 292, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 LEU  HB-          19 LEU  HA          4.50    (#    690:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 294, 295,
 &end
#
#    0 AMB  20-2:693     19 LEU  HA          2.80    (#    693:20  Single Ambig)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 294, 295, 297,
 &end
#
#    0 AMB  20-2:694     19 LEU  HA          3.50    (#    694:20  Single Ambig)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 &end
#
#  107 SER  HB+         107 SER  HA          3.50    (#    702:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#  107 SER  HB-         107 SER  HA          3.50    (#    703:20  Unique         2.26, 2.68 A)
 &rst
  ixpk= 703, nxpk= 20, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#   80 LEU  HN           80 LEU  HA          4.50    (#    705:20  Unique         2.83, 2.88 A)
 &rst
  ixpk= 705, nxpk= 20, iat=1194,1196, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 LEU  HG           80 LEU  HA          4.50    (#    706:20  Unique         2.67, 3.13 A)
 &rst
  ixpk= 706, nxpk= 20, iat=1201,1196, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 LEU  HB+          80 LEU  HA          3.50    (#    707:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 707, nxpk= 20, iat=  -1,1196, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1198,1199,
 &end
#
#    0 AMB  20-2:708     80 LEU  HA          2.80    (#    708:20  Single Ambig)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,1196, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#   31 GLY  HN           30 ASP  HA          3.50    (#    710:20  Unique         2.35, 2.59 A)
 &rst
  ixpk= 710, nxpk= 20, iat= 481, 471, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:712      0 AMB  20-1:712    3.50    (#    712:20  Double Ambig)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1319,1320, 473, 474,
 igr2=1311, 471,
 &end
#
#   30 ASP  HB-          30 ASP  HA          4.50    (#    713:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 473, 474,
 &end
#
#   87 ARG  HN           87 ARG  HA          4.50    (#    714:20  Unique         2.16, 2.24 A)
 &rst
  ixpk= 714, nxpk= 20, iat=1309,1311, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   88 PRO  HD+          87 ARG  HA          2.80    (#    715:20  Unique         2.11, 2.65 A)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1334,1335,
 &end
#
#   88 PRO  HD-          87 ARG  HA          3.50    (#    716:20  Unique         2.11, 2.65 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1334,1335,
 &end
#
#    0 AMB  20-2:717     87 ARG  HA          5.50    (#    717:20  Single Ambig)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1337,1338,1382,
 &end
#
#  125 SER  HN          124 LYS  HA          3.50    (#    718:20  Unique         3.21, 3.46 A)
 &rst
  ixpk= 718, nxpk= 20, iat=1938,1918, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 LYS  HB+         124 LYS  HA          2.80    (#    719:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1920,1921,
 &end
#
#  124 LYS  HN          124 LYS  HA          4.50    (#    720:20  Unique         2.88, 2.95 A)
 &rst
  ixpk= 720, nxpk= 20, iat=1916,1918, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 LYS  HG-         124 LYS  HA          4.50    (#    722:20  Unique         2.32, 3.34 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1923,1924,
 &end
#
#  102 GLN  HE2+         99 MET  HA          5.50    (#    737:20  Unique         2.26, 4.51 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1553,1554,
 &end
#
#   99 MET  HG-          99 MET  HA          4.50    (#    738:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1508,1509,
 &end
#
#  102 GLN  HG-          99 MET  HA          3.50    (#    739:20  Unique         2.39, 2.88 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1548,1549,
 &end
#
#    0 AMB  20-2:740     54 LEU  HA          4.50    (#    740:20  Single Ambig)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 818, 799,
 &end
#
#    0 AMB  20-2:743      0 AMB  20-1:743    2.80    (#    743:20  Double Ambig)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1316,1317, 803, 804,1313,1314,
 igr2=1311, 801,
 &end
#
#    0 AMB  20-2:744     54 LEU  HA          3.50    (#    744:20  Single Ambig)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 808, 809, 810, 812, 813, 814, 808, 809, 810, 812,
       813, 814,
 &end
#
#    7 GLU  HN            6 GLN  HA          3.50    (#    745:20  Unique         2.17, 2.48 A)
 &rst
  ixpk= 745, nxpk= 20, iat=  90,  75, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 GLN  HG+           6 GLN  HA          3.50    (#    747:20  Unique         2.51, 3.05 A)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  80,  81,
 &end
#
#    6 GLN  HB-           6 GLN  HA          2.80    (#    748:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  77,  78,
 &end
#
#   99 MET  HN           99 MET  HA          4.50    (#    749:20  Unique         2.88, 2.90 A)
 &rst
  ixpk= 749, nxpk= 20, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HN           99 MET  HA          4.50    (#    750:20  Unique         3.50, 3.56 A)
 &rst
  ixpk= 750, nxpk= 20, iat=1518,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 MET  HG+          99 MET  HA          4.50    (#    751:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1508,1509,
 &end
#
#   99 MET  HB-          99 MET  HA          3.50    (#    752:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1505,1506,
 &end
#
#    0 AMB  20-2:753     99 MET  HA          4.50    (#    753:20  Single Ambig)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1545,1546,1490,1491,1512,1513,1514,
 &end
#
#    6 GLN  HB+           6 GLN  HA          3.50    (#    755:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  77,  78,
 &end
#
#   97 LYS  HN           96 ALA  HA          4.50    (#    756:20  Unique         3.56, 3.61 A)
 &rst
  ixpk= 756, nxpk= 20, iat=1464,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 ALA  HN           96 ALA  HA          4.50    (#    757:20  Unique         2.80, 2.82 A)
 &rst
  ixpk= 757, nxpk= 20, iat=1454,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 MET  HN           96 ALA  HA          5.50    (#    758:20  Unique         3.40, 3.51 A)
 &rst
  ixpk= 758, nxpk= 20, iat=1501,1456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:759     96 ALA  HA          7.00    (#    759:20  Single Ambig)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1788,1792,1518,
 &end
#
#   99 MET  HG-          96 ALA  HA          4.50    (#    763:20  Unique         3.94, 4.76 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1508,1509,
 &end
#
#   99 MET  HB-          96 ALA  HA          5.50    (#    765:20  Unique         2.61, 3.57 A)
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1505,1506,
 &end
#
#   96 ALA  MB           96 ALA  HA          2.80    (#    766:20  Unique         2.39, 2.68 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1458,1459,1460,
 &end
#
#    0 AMB  20-2:767     96 ALA  HA          5.50    (#    767:20  Single Ambig)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 531, 532, 533,1849,1850,
 &end
#
#  120 LEU  MDX          96 ALA  HA          3.50    (#    768:20  Unique         2.14, 3.90 A)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  MDY          96 ALA  HA          3.50    (#    769:20  Unique         2.14, 3.90 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:770     96 ALA  HA          4.50    (#    770:20  Single Ambig)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
 &end
#
#   16 ILE  HN           15 GLU  HA          3.50    (#    780:20  Unique         2.20, 2.29 A)
 &rst
  ixpk= 780, nxpk= 20, iat= 227, 214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   15 GLU  HB-          15 GLU  HA          4.50    (#    782:20  Unique         2.33, 2.75 A)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 216, 217,
 &end
#
#   24 TRP  HA           15 GLU  HA          4.50    (#    784:20  Unique         2.04, 2.38 A)
 &rst
  ixpk= 784, nxpk= 20, iat= 371, 214, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:786     15 GLU  HA          4.50    (#    786:20  Single Ambig)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 216, 217, 237, 238,
 &end
#
#   15 GLU  HG-          15 GLU  HA          4.50    (#    787:20  Unique         2.40, 2.92 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 219, 220,
 &end
#
#    7 GLU  HN            7 GLU  HA          5.50    (#    790:20  Unique         2.18, 2.83 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  90,  92, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    8 PRO  HD-           7 GLU  HA          2.80    (#    791:20  Unique         2.09, 2.42 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 106, 107,
 &end
#
#    8 PRO  HD+           7 GLU  HA          3.50    (#    792:20  Unique         2.09, 2.42 A)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 107,
 &end
#
#    0 AMB  20-2:793      7 GLU  HA          4.50    (#    793:20  Single Ambig)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  97,  98,  97,  98,
 &end
#
#    7 GLU  HB-           7 GLU  HA          3.50    (#    794:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  94,  95,
 &end
#
#    7 GLU  HB+           7 GLU  HA          3.50    (#    795:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  94,  95,
 &end
#
#    0 AMB  20-2:796      7 GLU  HA          5.50    (#    796:20  Single Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 109, 110, 203, 204,
 &end
#
#    8 PRO  HG-           7 GLU  HA          5.50    (#    797:20  Unique         4.23, 4.54 A)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 109, 110,
 &end
#
#   61 LYS  HN           36 LEU  HA          4.50    (#    802:20  Unique         2.99, 3.43 A)
 &rst
  ixpk= 802, nxpk= 20, iat= 895, 563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 ALA  HN           36 LEU  HA          3.50    (#    803:20  Unique         2.09, 2.15 A)
 &rst
  ixpk= 803, nxpk= 20, iat= 580, 563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  HA           36 LEU  HA          3.50    (#    804:20  Unique         2.07, 2.18 A)
 &rst
  ixpk= 804, nxpk= 20, iat= 881, 563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 LEU  HG           36 LEU  HA          4.50    (#    805:20  Unique         2.60, 3.17 A)
 &rst
  ixpk= 805, nxpk= 20, iat= 568, 563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  MDY          36 LEU  HA          4.50    (#    806:20  Unique         2.17, 3.84 A)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#   36 LEU  MDX          36 LEU  HA          3.50    (#    807:20  Unique         2.17, 3.84 A)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:808     36 LEU  HA          4.50    (#    808:20  Single Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 565, 566, 885, 886, 887, 889, 890, 891,
 &end
#
#   45 ALA  MB           45 ALA  HA          2.80    (#    818:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 690, 691, 692,
 &end
#
#   58 ALA  HN           58 ALA  HA          4.50    (#    833:20  Unique         2.84, 2.91 A)
 &rst
  ixpk= 833, nxpk= 20, iat= 854, 856, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HN           58 ALA  HA          3.50    (#    834:20  Unique         2.35, 2.41 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 864, 856, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:837     58 ALA  HA          4.50    (#    837:20  Single Ambig)
 &rst
  ixpk= 837, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 868, 869,1584,1585,1607,1608,1562,1563,
 &end
#
#   58 ALA  MB           58 ALA  HA          3.50    (#    838:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 858, 859, 860,
 &end
#
#   85 GLN  HA           86 PRO  HD+         3.50    (#    843:20  Unique         2.14, 2.53 A)
 &rst
  ixpk= 843, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1296,1297,
 &end
#
#   85 GLN  HG+          86 PRO  HD+         5.50    (#    845:20  Unique         2.10, 3.73 A)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1296,1297,
 &end
#
#   86 PRO  HG+          86 PRO  HD+         3.50    (#    846:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1299,1300,
 igr2=1296,1297,
 &end
#
#   85 GLN  HA           86 PRO  HD-         3.50    (#    848:20  Unique         2.14, 2.53 A)
 &rst
  ixpk= 848, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1296,1297,
 &end
#
#   85 GLN  HG+          86 PRO  HD-         4.50    (#    850:20  Unique         2.10, 3.73 A)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1285,1286,
 igr2=1296,1297,
 &end
#
#   86 PRO  HG+          86 PRO  HD-         3.50    (#    852:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1299,1300,
 igr2=1296,1297,
 &end
#
#   42 TYR  HA           43 PRO  HD+         3.50    (#    859:20  Unique         2.73, 4.08 A)
 &rst
  ixpk= 859, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 666, 667,
 &end
#
#    0 AMB  20-2:863      0 AMB  20-1:863    4.50    (#    863:20  Double Ambig)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1725,1726, 132, 133,
 igr2= 605, 606, 142, 143,
 &end
#
#    0 AMB  20-2:864      0 AMB  20-1:864    4.50    (#    864:20  Double Ambig)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 672, 673, 611, 612,
 igr2= 666, 667, 605, 606,
 &end
#
#    0 AMB  20-2:865      0 AMB  20-1:865    2.80    (#    865:20  Double Ambig)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 633, 634, 669, 670, 608, 609,
 igr2= 666, 667, 666, 667, 605, 606,
 &end
#
#    0 AMB  20-2:871      0 AMB  20-1:871    7.00    (#    871:20  Double Ambig)
 &rst
  ixpk= 871, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.47, r4=13.22,
 igr1=1730,1731, 324, 333,
 igr2= 605, 606, 591, 592, 591, 592, 666, 667,
 &end
#
#   42 TYR  HA           43 PRO  HD-         3.50    (#    872:20  Unique         2.73, 4.08 A)
 &rst
  ixpk= 872, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 666, 667,
 &end
#
#  112 ASN  HB+          39 PRO  HD-         4.50    (#    875:20  Unique         2.47, 3.43 A)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1725,1726,
 igr2= 605, 606,
 &end
#
#  112 ASN  HB-          39 PRO  HD-         5.50    (#    876:20  Unique         2.47, 3.43 A)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1725,1726,
 igr2= 605, 606,
 &end
#
#    0 AMB  20-2:877      0 AMB  20-1:877    5.50    (#    877:20  Double Ambig)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 672, 673, 611, 612,
 igr2= 666, 667, 605, 606,
 &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= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 633, 634, 669, 670, 608, 609,
 igr2= 666, 667, 605, 606,
 &end
#
#    0 AMB  20-2:891      0 AMB  20-1:891    7.00    (#    891:20  Double Ambig)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 119, 155,
 igr2= 142, 143, 142, 143,
 &end
#
#    9 LYS  HA           10 PRO  HD+         3.50    (#    892:20  Unique         2.27, 2.53 A)
 &rst
  ixpk= 892, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 142, 143,
 &end
#
#    0 AMB  20-2:894      0 AMB  20-1:894    4.50    (#    894:20  Double Ambig)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 129, 130,  97,  98,
 igr2= 142, 143, 142, 143,
 &end
#
#    0 AMB  20-2:895      0 AMB  20-1:895    3.50    (#    895:20  Double Ambig)
 &rst
  ixpk= 895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 123, 124, 148, 149,
 igr2= 142, 143, 142, 143,
 &end
#
#    9 LYS  HG+          10 PRO  HD+         5.50    (#    896:20  Unique         2.98, 4.40 A)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 126, 127,
 igr2= 142, 143,
 &end
#
#    0 AMB  20-2:898      0 AMB  20-1:898    2.80    (#    898:20  Double Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 582, 614,
 igr2= 591, 592, 605, 606,
 &end
#
#    0 AMB  20-2:899      0 AMB  20-1:899    4.50    (#    899:20  Double Ambig)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 803, 804,1584,1585, 294, 295,
 igr2= 591, 592, 666, 667, 605, 606, 666, 667,
 &end
#
#    0 AMB  20-2:902      0 AMB  20-1:902    4.50    (#    902:20  Double Ambig)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 129, 130,  97,  98,1587,1588,
 igr2= 142, 143, 605, 606,
 &end
#
#    0 AMB  20-2:903      0 AMB  20-1:903    2.80    (#    903:20  Double Ambig)
 &rst
  ixpk= 903, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 123, 124, 123, 124, 633, 634,
 igr2= 142, 143, 666, 667,
 &end
#
#    0 AMB  20-2:904      0 AMB  20-1:904    4.50    (#    904:20  Double Ambig)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 858, 859, 860, 584, 585, 586,
 igr2= 605, 606, 591, 592,
 &end
#
#    7 GLU  HA            8 PRO  HD-         2.80    (#    905:20  Unique         2.09, 2.42 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 106, 107,
 &end
#
#    8 PRO  HG+           8 PRO  HD-         4.50    (#    907:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#    8 PRO  HG-           8 PRO  HD-         4.50    (#    908:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#    8 PRO  HB+           8 PRO  HD-         7.00    (#    909:20  Unique         2.80, 3.70 A)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 112, 113,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:910      8 PRO  HD-         5.50    (#    910:20  Single Ambig)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 989, 990, 991, 993, 994, 995, 206, 207, 208,
 igr2= 106, 107,
 &end
#
#   37 ALA  HA           38 PRO  HD+         3.50    (#    911:20  Unique         2.04, 2.37 A)
 &rst
  ixpk= 911, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 591, 592,
 &end
#
#   37 ALA  MB           38 PRO  HD+         4.50    (#    913:20  Unique         2.35, 4.16 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 584, 585, 586,
 igr2= 591, 592,
 &end
#
#    7 GLU  HA            8 PRO  HD+         2.80    (#    917:20  Unique         2.09, 2.42 A)
 &rst
  ixpk= 917, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:921      0 AMB  20-1:921    5.50    (#    921:20  Double Ambig)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=  97,  98,  97,  98,
 igr2= 106, 107, 106, 107,
 &end
#
#    8 PRO  HG+           8 PRO  HD+         4.50    (#    922:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#    8 PRO  HG-           8 PRO  HD+         4.50    (#    923:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#    8 PRO  HB+           8 PRO  HD+         7.00    (#    924:20  Unique         2.80, 3.70 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 112, 113,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:925      0 AMB  20-1:925    5.50    (#    925:20  Double Ambig)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 989, 990, 991, 993, 994, 995, 206, 207, 208,
 igr2= 106, 107, 106, 107,
 &end
#
#   87 ARG  HA           88 PRO  HD+         3.50    (#    928:20  Unique         2.11, 2.65 A)
 &rst
  ixpk= 928, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1334,1335,
 &end
#
#   88 PRO  HG+          88 PRO  HD+         3.50    (#    929:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#  124 LYS  HB-          88 PRO  HD+         3.50    (#    930:20  Unique         2.28, 3.45 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1920,1921,
 igr2=1334,1335,
 &end
#
#  124 LYS  HG+          88 PRO  HD+         5.50    (#    931:20  Unique         2.13, 4.04 A)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1923,1924,
 igr2=1334,1335,
 &end
#
#   92 ILE  QD1          88 PRO  HD+         5.50    (#    932:20  Unique         2.24, 4.37 A)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1407,1408,1409,
 igr2=1334,1335,
 &end
#
#   87 ARG  HA           88 PRO  HD-         4.50    (#    936:20  Unique         2.11, 2.65 A)
 &rst
  ixpk= 936, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1334,1335,
 &end
#
#   88 PRO  HG+          88 PRO  HD-         3.50    (#    938:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#  124 LYS  HG+          88 PRO  HD-         5.50    (#    939:20  Unique         2.13, 4.04 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1923,1924,
 igr2=1334,1335,
 &end
#
#   92 ILE  QD1          88 PRO  HD-         5.50    (#    940:20  Unique         2.24, 4.37 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1407,1408,1409,
 igr2=1334,1335,
 &end
#
#    8 PRO  HA            8 PRO  HD+         5.50    (#    941:20  Unique         3.51, 3.86 A)
 &rst
  ixpk= 941, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:942      0 AMB  20-1:942    3.50    (#    942:20  Double Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  94,  95,1143,  77,  78,
 igr2= 106, 107, 106, 107, 106, 107,
 &end
#
#    8 PRO  HB-           8 PRO  HD+         5.50    (#    943:20  Unique         2.80, 3.70 A)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 112, 113,
 igr2= 106, 107,
 &end
#
#   38 PRO  HD+          37 ALA  HA          3.50    (#    949:20  Unique         2.04, 2.37 A)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 591, 592,
 &end
#
#    0 AMB  20-2:954     88 PRO  HD-         4.50    (#    954:20  Single Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1404,1405,1313,1314,
 igr2=1334,1335,
 &end
#
#   37 ALA  HN           37 ALA  HA          4.50    (#    957:20  Unique         2.81, 2.87 A)
 &rst
  ixpk= 957, nxpk= 20, iat= 580, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 PRO  HD-          37 ALA  HA          3.50    (#    959:20  Unique         2.04, 2.37 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 591, 592,
 &end
#
#   37 ALA  MB           37 ALA  HA          3.50    (#    962:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 584, 585, 586,
 &end
#
#   70 GLY  HN           70 GLY  HA-         3.50    (#    967:20  Unique         2.24, 2.54 A)
 &rst
  ixpk= 967, nxpk= 20, iat=1058,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1060,1061,
 &end
#
#   70 GLY  HN           70 GLY  HA+         3.50    (#    970:20  Unique         2.24, 2.54 A)
 &rst
  ixpk= 970, nxpk= 20, iat=1058,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1060,1061,
 &end
#
#   20 GLY  HN           20 GLY  HA-         4.50    (#    976:20  Unique         2.29, 2.73 A)
 &rst
  ixpk= 976, nxpk= 20, iat= 309,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 311, 312,
 &end
#
#   21 TYR  HN           20 GLY  HA-         5.50    (#    977:20  Unique         2.59, 3.22 A)
 &rst
  ixpk= 977, nxpk= 20, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 311, 312,
 &end
#
#   20 GLY  HN           20 GLY  HA+         4.50    (#    980:20  Unique         2.29, 2.73 A)
 &rst
  ixpk= 980, nxpk= 20, iat= 309,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 311, 312,
 &end
#
#   21 TYR  HN           20 GLY  HA+         5.50    (#    981:20  Unique         2.59, 3.22 A)
 &rst
  ixpk= 981, nxpk= 20, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 311, 312,
 &end
#
#   31 GLY  HN           31 GLY  HA+         4.50    (#    988:20  Unique         2.60, 2.81 A)
 &rst
  ixpk= 988, nxpk= 20, iat= 481,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 483, 484,
 &end
#
#   32 TYR  HN           31 GLY  HA+         5.50    (#    989:20  Unique         3.01, 3.39 A)
 &rst
  ixpk= 989, nxpk= 20, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 483, 484,
 &end
#
#   29 GLY  HN           31 GLY  HA+         5.50    (#    990:20  Unique         5.92, 6.25 A)
 &rst
  ixpk= 990, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 483, 484,
 &end
#
#   31 GLY  HN           31 GLY  HA-         4.50    (#    997:20  Unique         2.60, 2.81 A)
 &rst
  ixpk= 997, nxpk= 20, iat= 481,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 483, 484,
 &end
#
#   29 GLY  HN           31 GLY  HA-         5.50    (#    998:20  Unique         5.92, 6.25 A)
 &rst
  ixpk= 998, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 483, 484,
 &end
#
#   32 TYR  HN           31 GLY  HA-         5.50    (#   1000:20  Unique         3.01, 3.39 A)
 &rst
  ixpk= 1000, nxpk= 20, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 483, 484,
 &end
#
#   26 LEU  HN           26 LEU  HB+         5.50    (#   1002:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1002, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 407, 408,
 &end
#
#    0 AMB  20-2:1004     0 AMB  20-1:1004   5.50    (#   1004:20  Double Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 410, 206, 207, 208,
 igr2= 157, 158, 157, 158,
 &end
#
#    0 AMB  20-2:1005   123 GLY  HA-         5.50    (#   1005:20  Single Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1888,1454,1877,
 igr2=1911,1912,
 &end
#
#  123 GLY  HN          123 GLY  HA-         3.50    (#   1006:20  Unique         2.23, 2.49 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=1909,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1911,1912,
 &end
#
#  124 LYS  HN          123 GLY  HA-         4.50    (#   1007:20  Unique         2.51, 3.21 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1911,1912,
 &end
#
#    0 AMB  20-2:1010   123 GLY  HA-         4.50    (#   1010:20  Single Ambig)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1892,1893,1874,1875,1319,1320,
 igr2=1911,1912,
 &end
#
#   72 CYS  HN           71 GLY  HA+         5.50    (#   1015:20  Unique         2.94, 3.35 A)
 &rst
  ixpk= 1015, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1067,1068,
 &end
#
#    0 AMB  20-2:1018     0 AMB  20-1:1018   5.50    (#   1018:20  Double Ambig)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1888,1454,
 igr2=1911,1912,1911,1912,
 &end
#
#  123 GLY  HN          123 GLY  HA+         3.50    (#   1019:20  Unique         2.23, 2.49 A)
 &rst
  ixpk= 1019, nxpk= 20, iat=1909,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1911,1912,
 &end
#
#  124 LYS  HN          123 GLY  HA+         5.50    (#   1020:20  Unique         2.51, 3.21 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1911,1912,
 &end
#
#    0 AMB  20-2:1023     0 AMB  20-1:1023   5.50    (#   1023:20  Double Ambig)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1892,1893,1874,1875,1319,1320,
 igr2=1911,1912,1911,1912,1911,1912,
 &end
#
#   26 LEU  HN           26 LEU  HB-         4.50    (#   1025:20  Unique         2.53, 2.80 A)
 &rst
  ixpk= 1025, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 407, 408,
 &end
#
#   26 LEU  HA           26 LEU  HB-         4.50    (#   1026:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 1026, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 407, 408,
 &end
#
#   26 LEU  MDX          26 LEU  HB-         4.50    (#   1028:20  Unique         2.38, 3.55 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 412, 413, 414, 416, 417, 418,
 igr2= 407, 408,
 &end
#
#   26 LEU  HG           26 LEU  HB-         4.50    (#   1029:20  Unique         2.32, 2.39 A)
 &rst
  ixpk= 1029, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 407, 408,
 &end
#
#   26 LEU  HA           26 LEU  HB+         5.50    (#   1030:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 407, 408,
 &end
#
#   26 LEU  MDX          26 LEU  HB+         4.50    (#   1032:20  Unique         2.38, 3.55 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 412, 413, 414, 416, 417, 418,
 igr2= 407, 408,
 &end
#
#   26 LEU  HG           26 LEU  HB+         5.50    (#   1033:20  Unique         2.32, 2.39 A)
 &rst
  ixpk= 1033, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 407, 408,
 &end
#
#   11 GLY  HN           11 GLY  HA+         4.50    (#   1034:20  Unique         2.23, 2.56 A)
 &rst
  ixpk= 1034, nxpk= 20, iat= 155,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 157, 158,
 &end
#
#    0 AMB  20-2:1035     0 AMB  20-1:1035   5.50    (#   1035:20  Double Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 162,1413,
 igr2= 157, 158, 157, 158,
 &end
#
#   89 VAL  MGX          11 GLY  HA+         5.50    (#   1037:20  Unique         2.11, 4.66 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2= 157, 158,
 &end
#
#   89 VAL  MGY          11 GLY  HA+         4.50    (#   1038:20  Unique         2.11, 4.66 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2= 157, 158,
 &end
#
#   26 LEU  MDX          11 GLY  HA+         3.50    (#   1039:20  Unique         2.21, 4.22 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 412, 413, 414, 416, 417, 418,
 igr2= 157, 158,
 &end
#
#   11 GLY  HN           11 GLY  HA-         4.50    (#   1040:20  Unique         2.23, 2.56 A)
 &rst
  ixpk= 1040, nxpk= 20, iat= 155,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 157, 158,
 &end
#
#   89 VAL  MGX          11 GLY  HA-         5.50    (#   1042:20  Unique         2.11, 4.66 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2= 157, 158,
 &end
#
#   89 VAL  MGY          11 GLY  HA-         4.50    (#   1043:20  Unique         2.11, 4.66 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2= 157, 158,
 &end
#
#    0 AMB  20-2:1044    11 GLY  HA-         7.00    (#   1044:20  Single Ambig)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 410, 206, 207, 208,
 igr2= 157, 158,
 &end
#
#    0 AMB  20-2:1045    11 GLY  HA-         5.50    (#   1045:20  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 162,1413,
 igr2= 157, 158,
 &end
#
#   26 LEU  MDX          11 GLY  HA-         3.50    (#   1046:20  Unique         2.21, 4.22 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 412, 413, 414, 416, 417, 418,
 igr2= 157, 158,
 &end
#
#  101 GLY  HN          101 GLY  HA-         4.50    (#   1047:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=1534,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1536,1537,
 &end
#
#  101 GLY  HN          101 GLY  HA+         3.50    (#   1048:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=1534,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1536,1537,
 &end
#
#  102 GLN  HN          101 GLY  HA+         4.50    (#   1049:20  Unique         3.14, 3.39 A)
 &rst
  ixpk= 1049, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1536,1537,
 &end
#
#  100 VAL  MGY         101 GLY  HA+         5.50    (#   1050:20  Unique         3.30, 5.65 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2=1536,1537,
 &end
#
#  125 SER  HB+          87 ARG  HD+         7.00    (#   1051:20  Unique         6.39, 8.57 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1942,1943,
 igr2=1319,1320,
 &end
#
#   87 ARG  HA           87 ARG  HD+         5.50    (#   1053:20  Unique         2.05, 2.93 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1319,1320,
 &end
#
#  123 GLY  HA-          87 ARG  HD+         5.50    (#   1054:20  Unique         5.94, 7.41 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1911,1912,
 igr2=1319,1320,
 &end
#
#    0 AMB  20-2:1055     0 AMB  20-1:1055   7.00    (#   1055:20  Double Ambig)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1866,1334,1335,
 igr2=1319,1320,1319,1320,
 &end
#
#   88 PRO  HD-          87 ARG  HD+         5.50    (#   1056:20  Unique         3.50, 5.13 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1334,1335,
 igr2=1319,1320,
 &end
#
#    0 AMB  20-2:1057     0 AMB  20-1:1057   2.80    (#   1057:20  Double Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1404,1405,1313,1314,
 igr2=1319,1320,1319,1320,
 &end
#
#  124 LYS  HB+          87 ARG  HD+         4.50    (#   1058:20  Unique         3.17, 6.60 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1920,1921,
 igr2=1319,1320,
 &end
#
#   92 ILE  QD1          87 ARG  HD+         4.50    (#   1059:20  Unique         2.08, 3.64 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1407,1408,1409,
 igr2=1319,1320,
 &end
#
#   87 ARG  HA           87 ARG  HD-         5.50    (#   1062:20  Unique         2.05, 2.93 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1319,1320,
 &end
#
#  123 GLY  HA-          87 ARG  HD-         5.50    (#   1063:20  Unique         5.94, 7.41 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1911,1912,
 igr2=1319,1320,
 &end
#
#    0 AMB  20-2:1064    87 ARG  HD-         7.00    (#   1064:20  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1866,1334,1335,
 igr2=1319,1320,
 &end
#
#  125 SER  HB+          87 ARG  HD-         7.00    (#   1065:20  Unique         6.39, 8.57 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1942,1943,
 igr2=1319,1320,
 &end
#
#   88 PRO  HD-          87 ARG  HD-         5.50    (#   1066:20  Unique         3.50, 5.13 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1334,1335,
 igr2=1319,1320,
 &end
#
#    0 AMB  20-2:1068    87 ARG  HD-         3.50    (#   1068:20  Single Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1404,1405,1313,1314,
 igr2=1319,1320,
 &end
#
#  124 LYS  HB+          87 ARG  HD-         5.50    (#   1069:20  Unique         3.17, 6.60 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1920,1921,
 igr2=1319,1320,
 &end
#
#   92 ILE  QD1          87 ARG  HD-         4.50    (#   1070:20  Unique         2.08, 3.64 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1407,1408,1409,
 igr2=1319,1320,
 &end
#
#  102 GLN  HN          101 GLY  HA-         5.50    (#   1071:20  Unique         3.14, 3.39 A)
 &rst
  ixpk= 1071, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1536,1537,
 &end
#
#  100 VAL  MGY         101 GLY  HA-         5.50    (#   1074:20  Unique         3.30, 5.65 A)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2=1536,1537,
 &end
#
#  100 VAL  HA          101 GLY  HA+         5.50    (#   1076:20  Unique         4.31, 4.40 A)
 &rst
  ixpk= 1076, nxpk= 20, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1536,1537,
 &end
#
#   59 GLU  HG+         101 GLY  HA+         5.50    (#   1077:20  Unique         2.92, 4.43 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 871, 872,
 igr2=1536,1537,
 &end
#
#    0 AMB  20-2:1078    18 ARG  HD-         3.50    (#   1078:20  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 273, 274, 270, 271,
 igr2= 276, 277,
 &end
#
#    0 AMB  20-2:1079    18 ARG  HD-         4.50    (#   1079:20  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 270, 271, 233, 234, 235,
 igr2= 276, 277,
 &end
#
#   18 ARG  HA           18 ARG  HD+         2.80    (#   1080:20  Unique         2.11, 4.05 A)
 &rst
  ixpk= 1080, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 276, 277,
 &end
#
#    0 AMB  20-2:1082     0 AMB  20-1:1082   4.50    (#   1082:20  Double Ambig)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 273, 274, 270, 271,
 igr2= 276, 277, 276, 277,
 &end
#
#    0 AMB  20-2:1083     0 AMB  20-1:1083   4.50    (#   1083:20  Double Ambig)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 270, 271, 233, 234, 235,
 igr2= 276, 277, 276, 277,
 &end
#
#   29 GLY  HN           29 GLY  HA+         5.50    (#   1089:20  Unique         2.71, 2.81 A)
 &rst
  ixpk= 1089, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:1090     0 AMB  20-1:1090   7.00    (#   1090:20  Double Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 984, 985, 129, 130,
 igr2= 464, 465, 464, 465,
 &end
#
#  111 ARG  HB-         111 ARG  HD+         4.50    (#   1092:20  Unique         2.32, 3.07 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1701,1702,
 igr2=1707,1708,
 &end
#
#    0 AMB  20-2:1095   111 ARG  HD-         2.80    (#   1095:20  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1584,1585,1750,1751,
 igr2=1707,1708,
 &end
#
#  111 ARG  HB-         111 ARG  HD-         4.50    (#   1098:20  Unique         2.32, 3.07 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1701,1702,
 igr2=1707,1708,
 &end
#
#   75 ARG  HB-          75 ARG  HD-         3.50    (#   1099:20  Unique         2.38, 3.36 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1119,1120,
 igr2=1125,1126,
 &end
#
#    0 AMB  20-2:1101     0 AMB  20-1:1101   2.80    (#   1101:20  Double Ambig)
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 268,1117,
 igr2= 276, 277,1125,1126,
 &end
#
#    0 AMB  20-2:1104     0 AMB  20-1:1104   4.50    (#   1104:20  Double Ambig)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 273, 274,1122,1123,
 igr2= 276, 277,1125,1126,
 &end
#
#   74 TYR  HD           75 ARG  HD+         5.50    (#   1105:20  Unique         5.24, 7.86 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1102,1111,
 igr2=1125,1126,
 &end
#
#   75 ARG  HB-          75 ARG  HD+         3.50    (#   1106:20  Unique         2.38, 3.36 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1119,1120,
 igr2=1125,1126,
 &end
#
#   76 VAL  MGX          75 ARG  HD-         5.50    (#   1109:20  Unique         3.40, 8.46 A)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2=1125,1126,
 &end
#
#   75 ARG  HG-          75 ARG  HD-         3.50    (#   1110:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1122,1123,
 igr2=1125,1126,
 &end
#
#   62 ARG  HN           62 ARG  HD-         7.00    (#   1114:20  Unique         4.23, 5.32 A)
 &rst
  ixpk= 1114, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 927, 928,
 &end
#
#   62 ARG  HA           62 ARG  HD-         5.50    (#   1115:20  Unique         4.19, 4.58 A)
 &rst
  ixpk= 1115, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 927, 928,
 &end
#
#   62 ARG  HB-          62 ARG  HD-         4.50    (#   1117:20  Unique         2.36, 3.20 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 921, 922,
 igr2= 927, 928,
 &end
#
#    0 AMB  20-2:1118    62 ARG  HD-         2.80    (#   1118:20  Single Ambig)
 &rst
  ixpk= 1118, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 921, 922, 924, 925,
 igr2= 927, 928,
 &end
#
#   62 ARG  HG+          62 ARG  HD-         2.80    (#   1119:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 924, 925,
 igr2= 927, 928,
 &end
#
#  100 VAL  MGX          62 ARG  HD-         4.50    (#   1120:20  Unique         3.84, 6.37 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2= 927, 928,
 &end
#
#   28 ILE  QD1          62 ARG  HD-         4.50    (#   1121:20  Unique         2.36, 3.56 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 456, 457, 458,
 igr2= 927, 928,
 &end
#
#   62 ARG  HA           62 ARG  HD+         5.50    (#   1122:20  Unique         4.19, 4.58 A)
 &rst
  ixpk= 1122, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 927, 928,
 &end
#
#   62 ARG  HB-          62 ARG  HD+         4.50    (#   1125:20  Unique         2.36, 3.20 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 921, 922,
 igr2= 927, 928,
 &end
#
#    0 AMB  20-2:1126     0 AMB  20-1:1126   2.80    (#   1126:20  Double Ambig)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 921, 922, 924, 925,
 igr2= 927, 928, 927, 928,
 &end
#
#   62 ARG  HG+          62 ARG  HD+         3.50    (#   1127:20  Unique         2.37, 2.63 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 924, 925,
 igr2= 927, 928,
 &end
#
#    0 AMB  20-2:1128     0 AMB  20-1:1128   5.50    (#   1128:20  Double Ambig)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1=1524,1525,1526,1528,1529,1530, 535, 536,
 igr2= 927, 928, 927, 928,
 &end
#
#   28 ILE  QD1          62 ARG  HD+         4.50    (#   1129:20  Unique         2.36, 3.56 A)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 456, 457, 458,
 igr2= 927, 928,
 &end
#
#   66 GLU  HG+          64 ARG  HD+         7.00    (#   1134:20  Unique         2.82, 5.21 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1006,1007,
 igr2= 966, 967,
 &end
#
#    0 AMB  20-2:1135     0 AMB  20-1:1135   5.50    (#   1135:20  Double Ambig)
 &rst
  ixpk= 1135, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 956, 509,
 igr2= 966, 967, 966, 967,
 &end
#
#    0 AMB  20-2:1136     0 AMB  20-1:1136   5.50    (#   1136:20  Double Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 498, 503, 496, 505,
 igr2= 966, 967, 966, 967,
 &end
#
#   64 ARG  HG-          64 ARG  HD+         3.50    (#   1137:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 963, 964,
 igr2= 966, 967,
 &end
#
#   64 ARG  HG-          64 ARG  HD-         4.50    (#   1139:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 963, 964,
 igr2= 966, 967,
 &end
#
#    0 AMB  20-2:1140    64 ARG  HD-         5.50    (#   1140:20  Single Ambig)
 &rst
  ixpk= 1140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 956, 509,
 igr2= 966, 967,
 &end
#
#    0 AMB  20-2:1141    64 ARG  HD-         5.50    (#   1141:20  Single Ambig)
 &rst
  ixpk= 1141, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 498, 503, 496, 505,
 igr2= 966, 967,
 &end
#
#   64 ARG  HA           64 ARG  HD-         4.50    (#   1142:20  Unique         2.11, 4.37 A)
 &rst
  ixpk= 1142, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 966, 967,
 &end
#
#    9 LYS  HN           12 ASP  HB-         5.50    (#   1143:20  Unique         1.91, 2.49 A)
 &rst
  ixpk= 1143, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 166, 167,
 &end
#
#   12 ASP  HN           12 ASP  HB-         4.50    (#   1144:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1144, nxpk= 20, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 166, 167,
 &end
#
#   12 ASP  HA           12 ASP  HB-         4.50    (#   1145:20  Unique         2.54, 2.81 A)
 &rst
  ixpk= 1145, nxpk= 20, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 166, 167,
 &end
#
#   76 VAL  MGY          12 ASP  HB-         4.50    (#   1146:20  Unique         2.74, 5.48 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 166, 167,
 &end
#
#   13 LEU  HN           12 ASP  HB+         7.00    (#   1147:20  Unique         3.09, 3.67 A)
 &rst
  ixpk= 1147, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 166, 167,
 &end
#
#   12 ASP  HN           12 ASP  HB+         4.50    (#   1148:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1148, nxpk= 20, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 166, 167,
 &end
#
#   12 ASP  HA           12 ASP  HB+         4.50    (#   1149:20  Unique         2.54, 2.81 A)
 &rst
  ixpk= 1149, nxpk= 20, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 166, 167,
 &end
#
#   76 VAL  MGY          12 ASP  HB+         3.50    (#   1152:20  Unique         2.74, 5.48 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 166, 167,
 &end
#
#   64 ARG  HA           64 ARG  HD+         4.50    (#   1153:20  Unique         2.11, 4.37 A)
 &rst
  ixpk= 1153, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 966, 967,
 &end
#
#    0 AMB  20-2:1159     0 AMB  20-1:1159   2.80    (#   1159:20  Double Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 123, 124, 129, 130,
 igr2= 132, 133, 132, 133,
 &end
#
#    9 LYS  HG+           9 LYS  HE+         3.50    (#   1160:20  Unique         2.39, 3.10 A)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 126, 127,
 igr2= 132, 133,
 &end
#
#   59 GLU  HG+         103 LYS  HE+         4.50    (#   1171:20  Unique         3.10, 5.67 A)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 871, 872,
 igr2=1571,1572,
 &end
#
#  103 LYS  HG+         103 LYS  HE+         4.50    (#   1172:20  Unique         2.43, 3.38 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1565,1566,
 igr2=1571,1572,
 &end
#
#  103 LYS  HD+         103 LYS  HE+         2.80    (#   1179:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1568,1569,
 igr2=1571,1572,
 &end
#
#    0 AMB  20-2:1183    54 LEU  HB-         5.50    (#   1183:20  Single Ambig)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 799, 818,
 igr2= 803, 804,
 &end
#
#   54 LEU  HA           54 LEU  HB-         3.50    (#   1186:20  Unique         2.40, 2.80 A)
 &rst
  ixpk= 1186, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 803, 804,
 &end
#
#   54 LEU  MDX          54 LEU  HB-         2.80    (#   1187:20  Unique         2.33, 3.40 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 808, 809, 810, 812, 813, 814,
 igr2= 803, 804,
 &end
#
#   54 LEU  MDX          54 LEU  HB+         3.50    (#   1190:20  Unique         2.33, 3.40 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 808, 809, 810, 812, 813, 814,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:1191     0 AMB  20-1:1191   5.50    (#   1191:20  Double Ambig)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 799, 818,
 igr2= 803, 804, 803, 804,
 &end
#
#   54 LEU  HA           54 LEU  HB+         4.50    (#   1192:20  Unique         2.40, 2.80 A)
 &rst
  ixpk= 1192, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 803, 804,
 &end
#
#   57 SER  HA          105 LYS  HE+         2.80    (#   1200:20  Unique         1.92, 3.02 A)
 &rst
  ixpk= 1200, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1610,1611,
 &end
#
#    0 AMB  20-2:1202     0 AMB  20-1:1202   2.80    (#   1202:20  Double Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1601,1602,1607,1608,
 igr2=1610,1611,1610,1611,
 &end
#
#  105 LYS  HG+         105 LYS  HE+         2.80    (#   1203:20  Unique         2.38, 3.21 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1604,1605,
 igr2=1610,1611,
 &end
#
#  105 LYS  HG-         105 LYS  HE+         4.50    (#   1204:20  Unique         2.38, 3.21 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1604,1605,
 igr2=1610,1611,
 &end
#
#    0 AMB  20-2:1207     0 AMB  20-1:1207   3.50    (#   1207:20  Double Ambig)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1568,1569,1565,1566,
 igr2=1571,1572,1571,1572,
 &end
#
#   32 TYR  HN           32 TYR  HB-         4.50    (#   1208:20  Unique         2.68, 3.27 A)
 &rst
  ixpk= 1208, nxpk= 20, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#   32 TYR  HD           32 TYR  HB-         4.50    (#   1209:20  Unique         2.39, 3.08 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 496, 505,
 igr2= 492, 493,
 &end
#
#   97 LYS  HD+          97 LYS  HE-         2.80    (#   1210:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1474,1475,
 igr2=1477,1478,
 &end
#
#   93 ILE  QG2          97 LYS  HE-         5.50    (#   1211:20  Unique         2.13, 3.81 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1419,1420,1421,
 igr2=1477,1478,
 &end
#
#    0 AMB  20-2:1212     0 AMB  20-1:1212   4.50    (#   1212:20  Double Ambig)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 449, 450, 451,1426,1427,1428, 538, 539, 540, 515,
       516, 517, 519, 520, 521,
 igr2=1477,1478, 492, 493,
 &end
#
#   28 ILE  QD1           0 AMB  20-1:1213   4.50    (#   1213:20  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 456, 457, 458,
 igr2= 492, 493,1477,1478,
 &end
#
#   33 VAL  HN           32 TYR  HB-         5.50    (#   1214:20  Unique         2.59, 3.29 A)
 &rst
  ixpk= 1214, nxpk= 20, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#   97 LYS  HB-          97 LYS  HE-         4.50    (#   1215:20  Unique         2.10, 3.27 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1468,1469,
 igr2=1477,1478,
 &end
#
#   32 TYR  HA           32 TYR  HB-         4.50    (#   1217:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1217, nxpk= 20, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#    0 AMB  20-2:1220     0 AMB  20-1:1220   2.80    (#   1220:20  Double Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1= 899, 900,1920,1921, 905, 906, 905, 906,
 igr2= 908, 909,1929,1930, 908, 909, 908, 909,
 &end
#
#    0 AMB  20-2:1221     0 AMB  20-1:1221   2.80    (#   1221:20  Double Ambig)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1471,1472, 902, 903, 806,
 igr2=1477,1478, 908, 909, 908, 909,
 &end
#
#    0 AMB  20-2:1224     0 AMB  20-1:1224   3.50    (#   1224:20  Double Ambig)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.04, r4= 7.79,
 igr1=1384,1385,1386,1388,1389,1390,1923,1924, 584, 585,
       586,
 igr2=1929,1930,1929,1930, 908, 909,
 &end
#
#    0 AMB  20-2:1227     0 AMB  20-1:1227   2.80    (#   1227:20  Double Ambig)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 902, 903,1926,1927,
 igr2= 908, 909,1929,1930,
 &end
#
#   97 LYS  HD+          97 LYS  HE+         3.50    (#   1230:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1474,1475,
 igr2=1477,1478,
 &end
#
#   97 LYS  HB-          97 LYS  HE+         5.50    (#   1233:20  Unique         2.10, 3.27 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1468,1469,
 igr2=1477,1478,
 &end
#
#   93 ILE  QG2          97 LYS  HE+         4.50    (#   1234:20  Unique         2.13, 3.81 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1419,1420,1421,
 igr2=1477,1478,
 &end
#
#    0 AMB  20-2:1235     0 AMB  20-1:1235   5.50    (#   1235:20  Double Ambig)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1= 449, 450, 451,1426,1427,1428, 538, 539, 540,
 igr2=1477,1478,1477,1478,1477,1478,
 &end
#
#   28 ILE  QD1          97 LYS  HE+         5.50    (#   1236:20  Unique         3.34, 5.28 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 456, 457, 458,
 igr2=1477,1478,
 &end
#
#    0 AMB  20-2:1237     0 AMB  20-1:1237   3.50    (#   1237:20  Double Ambig)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1102,1111, 496, 505,
 igr2=1098,1099, 492, 493,
 &end
#
#   28 ILE  QD1          32 TYR  HB+         4.50    (#   1239:20  Unique         2.44, 3.82 A)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 456, 457, 458,
 igr2= 492, 493,
 &end
#
#   33 VAL  HN           32 TYR  HB+         5.50    (#   1240:20  Unique         2.59, 3.29 A)
 &rst
  ixpk= 1240, nxpk= 20, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#   32 TYR  HN           32 TYR  HB+         5.50    (#   1241:20  Unique         2.68, 3.27 A)
 &rst
  ixpk= 1241, nxpk= 20, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#   32 TYR  HA           32 TYR  HB+         5.50    (#   1242:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 1242, nxpk= 20, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#    0 AMB  20-2:1243     0 AMB  20-1:1243   5.50    (#   1243:20  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 453, 454, 924, 925,
 igr2= 492, 493, 492, 493,
 &end
#
#  120 LEU  HN          120 LEU  HB-         4.50    (#   1245:20  Unique         2.26, 3.01 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1849,1850,
 &end
#
#    0 AMB  20-2:1246   120 LEU  HB-         4.50    (#   1246:20  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1847,
 igr2=1849,1850,
 &end
#
#    0 AMB  20-2:1247   120 LEU  HB-         4.50    (#   1247:20  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1852, 412, 413, 414, 416, 417, 418,1458,1459,1460,
      
 igr2=1849,1850,
 &end
#
#  120 LEU  MDY         120 LEU  HB-         4.50    (#   1249:20  Unique         2.28, 3.29 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1849,1850,
 &end
#
#  120 LEU  HN          120 LEU  HB+         4.50    (#   1252:20  Unique         2.26, 3.01 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1849,1850,
 &end
#
#    0 AMB  20-2:1253     0 AMB  20-1:1253   4.50    (#   1253:20  Double Ambig)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1800,1847,
 igr2=1849,1850,1849,1850,
 &end
#
#    0 AMB  20-2:1255     0 AMB  20-1:1255   4.50    (#   1255:20  Double Ambig)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1852, 412, 413, 414, 416, 417, 418,1458,1459,1460,
      
 igr2=1849,1850,1849,1850,1849,1850,
 &end
#
#    0 AMB  20-2:1256     0 AMB  20-1:1256   4.50    (#   1256:20  Double Ambig)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 igr2=1849,1850,1849,1850,
 &end
#
#    0 AMB  20-2:1257     0 AMB  20-1:1257   4.50    (#   1257:20  Double Ambig)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 igr2=1849,1850,1849,1850,
 &end
#
#  120 LEU  MDY         120 LEU  HB+         4.50    (#   1258:20  Unique         2.28, 3.29 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1849,1850,
 &end
#
#   75 ARG  HN           74 TYR  HB-         5.50    (#   1264:20  Unique         2.43, 3.28 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1098,1099,
 &end
#
#   74 TYR  HD           74 TYR  HB-         3.50    (#   1265:20  Unique         2.33, 3.08 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1102,1111,
 igr2=1098,1099,
 &end
#
#   74 TYR  HA           74 TYR  HB-         4.50    (#   1266:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1098,1099,
 &end
#
#   16 ILE  HA           74 TYR  HB-         5.50    (#   1267:20  Unique         3.07, 3.53 A)
 &rst
  ixpk= 1267, nxpk= 20, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1098,1099,
 &end
#
#    0 AMB  20-2:1268    74 TYR  HB-         3.50    (#   1268:20  Single Ambig)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 199, 200, 201,1048,1049,1050,1052,1053,1054,
 igr2=1098,1099,
 &end
#
#   74 TYR  HA           74 TYR  HB+         4.50    (#   1269:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 1269, nxpk= 20, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1098,1099,
 &end
#
#    0 AMB  20-2:1270     0 AMB  20-1:1270   3.50    (#   1270:20  Double Ambig)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 199, 200, 201,1048,1049,1050,1052,1053,1054,
 igr2=1098,1099,1098,1099,
 &end
#
#   16 ILE  QG2          74 TYR  HB+         5.50    (#   1271:20  Unique         2.29, 4.30 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 233, 234, 235,
 igr2=1098,1099,
 &end
#
#   36 LEU  HN           36 LEU  HB-         5.50    (#   1272:20  Unique         2.45, 2.83 A)
 &rst
  ixpk= 1272, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1275   120 LEU  HB-         3.50    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 igr2=1849,1850,
 &end
#
#   66 GLU  HN           65 LEU  HB-         5.50    (#   1276:20  Unique         2.44, 3.24 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 984, 985,
 &end
#
#   65 LEU  HA           65 LEU  HB-         4.50    (#   1277:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1277, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 984, 985,
 &end
#
#   33 VAL  MGX          65 LEU  HB+         4.50    (#   1281:20  Unique         2.28, 4.59 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 515, 516, 517, 519, 520, 521,
 igr2= 984, 985,
 &end
#
#   65 LEU  HA           65 LEU  HB+         4.50    (#   1282:20  Unique         2.45, 2.77 A)
 &rst
  ixpk= 1282, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:1284     0 AMB  20-1:1284   4.50    (#   1284:20  Double Ambig)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 515, 516, 517, 519, 520, 521, 989, 990, 991, 993,
       994, 995,
 igr2= 984, 985, 984, 985,
 &end
#
#   36 LEU  HA           36 LEU  HB+         5.50    (#   1285:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1285, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 565, 566,
 &end
#
#   36 LEU  HG           36 LEU  HB+         5.50    (#   1287:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1287, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 565, 566,
 &end
#
#   36 LEU  MDY          36 LEU  HB+         4.50    (#   1288:20  Unique         2.40, 3.33 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 565, 566,
 &end
#
#   36 LEU  HN           36 LEU  HB+         5.50    (#   1289:20  Unique         2.45, 2.83 A)
 &rst
  ixpk= 1289, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 565, 566,
 &end
#
#   36 LEU  MDX          36 LEU  HB+         4.50    (#   1291:20  Unique         2.40, 3.33 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 565, 566,
 &end
#
#   65 LEU  HN           65 LEU  HB-         4.50    (#   1293:20  Unique         2.43, 2.52 A)
 &rst
  ixpk= 1293, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:1294    65 LEU  HB-         4.50    (#   1294:20  Single Ambig)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 515, 516, 517, 519, 520, 521, 989, 990, 991, 993,
       994, 995,
 igr2= 984, 985,
 &end
#
#   80 LEU  HN           80 LEU  HB+         4.50    (#   1295:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 1295, nxpk= 20, iat=1194,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1198,1199,
 &end
#
#   84 TYR  HE           80 LEU  HB+         4.50    (#   1296:20  Unique         2.33, 6.83 A)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1267,1272,
 igr2=1198,1199,
 &end
#
#   80 LEU  HA           80 LEU  HB+         3.50    (#   1299:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1198,1199,
 &end
#
#   80 LEU  HG           80 LEU  HB+         3.50    (#   1300:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 1300, nxpk= 20, iat=1201,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1198,1199,
 &end
#
#    0 AMB  20-2:1301     0 AMB  20-1:1301   2.80    (#   1301:20  Double Ambig)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1198,1199,1198,1199,
 &end
#
#   66 GLU  HN           65 LEU  HB+         7.00    (#   1303:20  Unique         2.44, 3.24 A)
 &rst
  ixpk= 1303, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 984, 985,
 &end
#
#   65 LEU  HN           65 LEU  HB+         5.50    (#   1304:20  Unique         2.43, 2.52 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 984, 985,
 &end
#
#   85 GLN  HN           84 TYR  HB-         4.50    (#   1305:20  Unique         1.79, 3.03 A)
 &rst
  ixpk= 1305, nxpk= 20, iat=1278,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1261,1262,
 &end
#
#   84 TYR  HN           84 TYR  HB-         4.50    (#   1306:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1261,1262,
 &end
#
#   84 TYR  HA           84 TYR  HB-         3.50    (#   1308:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1261,1262,
 &end
#
#   84 TYR  HE           84 TYR  HB-         4.50    (#   1310:20  Unique         4.60, 5.09 A)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1267,1272,
 igr2=1261,1262,
 &end
#
#   13 LEU  HA           13 LEU  HB-         5.50    (#   1311:20  Unique         2.31, 2.55 A)
 &rst
  ixpk= 1311, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#   13 LEU  HN           13 LEU  HB-         5.50    (#   1312:20  Unique         2.32, 3.17 A)
 &rst
  ixpk= 1312, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#   13 LEU  MDY          13 LEU  HB-         4.50    (#   1313:20  Unique         2.33, 3.29 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 178, 179,
 &end
#
#    0 AMB  20-2:1314    13 LEU  HB-         7.00    (#   1314:20  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.53, r4=12.28,
 igr1=1353,1354,1355,1357,1358,1359, 109, 110, 535, 536,
      
 igr2= 178, 179,
 &end
#
#    0 AMB  20-2:1316     0 AMB  20-1:1316   4.50    (#   1316:20  Double Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1267,1272,1896,1905,
 igr2=1261,1262,1261,1262,
 &end
#
#   84 TYR  HA           84 TYR  HB+         4.50    (#   1318:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1261,1262,
 &end
#
#   85 GLN  HN           84 TYR  HB+         5.50    (#   1320:20  Unique         1.79, 3.03 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=1278,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1261,1262,
 &end
#
#   84 TYR  HN           84 TYR  HB+         4.50    (#   1321:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1261,1262,
 &end
#
#   13 LEU  HN           13 LEU  HB+         7.00    (#   1322:20  Unique         2.32, 3.17 A)
 &rst
  ixpk= 1322, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 178, 179,
 &end
#
#   13 LEU  MDY          13 LEU  HB+         4.50    (#   1323:20  Unique         2.33, 3.29 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 178, 179,
 &end
#
#   24 TRP  HZ3          13 LEU  HB+         5.50    (#   1324:20  Unique         4.12, 8.15 A)
 &rst
  ixpk= 1324, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#    0 AMB  20-2:1325     0 AMB  20-1:1325   7.00    (#   1325:20  Double Ambig)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 377,1790,
 igr2= 178, 179, 178, 179,
 &end
#
#   13 LEU  HA           13 LEU  HB+         5.50    (#   1326:20  Unique         2.31, 2.55 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#   26 LEU  HB-          34 ILE  HB          5.50    (#   1329:20  Unique         2.52, 3.79 A)
 &rst
  ixpk= 1329, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 407, 408,
 &end
#
#   34 ILE  HG1+         34 ILE  HB          4.50    (#   1330:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#   34 ILE  HG1-         34 ILE  HB          3.50    (#   1332:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 535, 536,
 &end
#
#   34 ILE  QG2          34 ILE  HB          3.50    (#   1333:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 531, 532, 533,
 &end
#
#    0 AMB  20-2:1334    34 ILE  HB          2.80    (#   1334:20  Single Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 538, 539, 540, 449, 450, 451,
 &end
#
#    0 AMB  20-2:1335    34 ILE  HB          5.50    (#   1335:20  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 453, 454, 410,
 &end
#
#   34 ILE  HN           34 ILE  HB          4.50    (#   1336:20  Unique         2.52, 2.59 A)
 &rst
  ixpk= 1336, nxpk= 20, iat= 525, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ILE  HA           34 ILE  HB          4.50    (#   1337:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1337, nxpk= 20, iat= 527, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 VAL  HN           67 ASP  HB+         4.50    (#   1339:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1018,1019,
 &end
#
#    0 AMB  20-2:1344     0 AMB  20-1:1344   4.50    (#   1344:20  Double Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2=1018,1019,1018,1019,
 &end
#
#   67 ASP  HN           67 ASP  HB-         2.80    (#   1345:20  Unique         2.45, 2.60 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1018,1019,
 &end
#
#   64 ARG  HB-          67 ASP  HB+         4.50    (#   1346:20  Unique         2.14, 3.12 A)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 960, 961,
 igr2=1018,1019,
 &end
#
#   68 VAL  HN           67 ASP  HB-         4.50    (#   1347:20  Unique         2.27, 3.20 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1018,1019,
 &end
#
#    0 AMB  20-2:1348    67 ASP  HB-         5.50    (#   1348:20  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 960, 961, 960, 961,
 igr2=1018,1019,
 &end
#
#   32 TYR  HD           30 ASP  HB+         4.50    (#   1353:20  Unique         4.86, 8.72 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 496, 505,
 igr2= 473, 474,
 &end
#
#   30 ASP  HA           30 ASP  HB+         3.50    (#   1355:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 1355, nxpk= 20, iat= 471,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 473, 474,
 &end
#
#   81 ASP  HA           81 ASP  HB-         4.50    (#   1359:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=1215,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1217,1218,
 &end
#
#   81 ASP  HN           81 ASP  HB-         4.50    (#   1360:20  Unique         2.16, 2.67 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=1213,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1217,1218,
 &end
#
#   81 ASP  HN           81 ASP  HB+         4.50    (#   1361:20  Unique         2.16, 2.67 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=1213,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1217,1218,
 &end
#
#   81 ASP  HA           81 ASP  HB+         4.50    (#   1362:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=1215,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1217,1218,
 &end
#
#    0 AMB  20-2:1365     0 AMB  20-1:1365   2.80    (#   1365:20  Double Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 471,1016,
 igr2= 473, 474,1018,1019,
 &end
#
#   19 LEU  HN           19 LEU  HB-         4.50    (#   1367:20  Unique         2.48, 3.30 A)
 &rst
  ixpk= 1367, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 294, 295,
 &end
#
#    0 AMB  20-2:1368    19 LEU  HB-         4.50    (#   1368:20  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 268, 754,
 igr2= 294, 295,
 &end
#
#    0 AMB  20-2:1369    19 LEU  HB-         4.50    (#   1369:20  Single Ambig)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 292, 675,
 igr2= 294, 295,
 &end
#
#    0 AMB  20-2:1371    19 LEU  HB-         3.50    (#   1371:20  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 igr2= 294, 295,
 &end
#
#   23 HIS  HN           16 ILE  HB          5.50    (#   1372:20  Unique         2.87, 3.44 A)
 &rst
  ixpk= 1372, nxpk= 20, iat= 352, 231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 ILE  HN           16 ILE  HB          4.50    (#   1373:20  Unique         2.61, 2.73 A)
 &rst
  ixpk= 1373, nxpk= 20, iat= 227, 231, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 HIS  HB+          16 ILE  HB          5.50    (#   1374:20  Unique         2.80, 4.92 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 356, 357,
 &end
#
#   16 ILE  QG2          16 ILE  HB          3.50    (#   1375:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 233, 234, 235,
 &end
#
#   19 LEU  HN           19 LEU  HB+         4.50    (#   1376:20  Unique         2.48, 3.30 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 294, 295,
 &end
#
#   18 ARG  HA            0 AMB  20-1:1377   4.50    (#   1377:20  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 231, 294, 295,
 &end
#
#    0 AMB  20-2:1378     0 AMB  20-1:1378   4.50    (#   1378:20  Double Ambig)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 292, 675,
 igr2= 294, 295, 294, 295,
 &end
#
#    0 AMB  20-2:1380     0 AMB  20-1:1380   4.50    (#   1380:20  Double Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 237, 238, 690, 691, 692,
 igr2= 231, 294, 295,
 &end
#
#    0 AMB  20-2:1381     0 AMB  20-1:1381   3.50    (#   1381:20  Double Ambig)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 igr2= 294, 295, 294, 295,
 &end
#
#    0 AMB  20-2:1382    16 ILE  HB          3.50    (#   1382:20  Single Ambig)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 237, 238, 240, 241, 242,
 &end
#
#  116 PHE  HN          116 PHE  HB-         4.50    (#   1383:20  Unique         2.13, 2.48 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1782,1783,
 &end
#
#  116 PHE  HA          116 PHE  HB-         4.50    (#   1385:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1782,1783,
 &end
#
#  116 PHE  HD          116 PHE  HB-         4.50    (#   1387:20  Unique         2.28, 3.07 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1786,1794,
 igr2=1782,1783,
 &end
#
#  119 GLN  HE2+        116 PHE  HB-         4.50    (#   1388:20  Unique         4.44, 7.60 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1840,1841,
 igr2=1782,1783,
 &end
#
#   36 LEU  MDY         116 PHE  HB-         5.50    (#   1389:20  Unique         2.12, 4.51 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1782,1783,
 &end
#
#  116 PHE  HN          116 PHE  HB+         4.50    (#   1390:20  Unique         2.13, 2.48 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1782,1783,
 &end
#
#  119 GLN  HE2+        116 PHE  HB+         4.50    (#   1391:20  Unique         4.44, 7.60 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1840,1841,
 igr2=1782,1783,
 &end
#
#    0 AMB  20-2:1393     0 AMB  20-1:1393   5.50    (#   1393:20  Double Ambig)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1888, 686,
 igr2=1892,1893, 756, 757,
 &end
#
#  122 TYR  HN          122 TYR  HB+         5.50    (#   1396:20  Unique         2.05, 2.70 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1892,1893,
 &end
#
#  122 TYR  HA          122 TYR  HB+         4.50    (#   1397:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1892,1893,
 &end
#
#   51 PHE  HD           51 PHE  HB+         3.50    (#   1402:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 760, 768,
 igr2= 756, 757,
 &end
#
#   51 PHE  HA           51 PHE  HB+         3.50    (#   1403:20  Unique         2.33, 2.58 A)
 &rst
  ixpk= 1403, nxpk= 20, iat= 754,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 756, 757,
 &end
#
#  116 PHE  HD          116 PHE  HB+         5.50    (#   1407:20  Unique         2.28, 3.07 A)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1786,1794,
 igr2=1782,1783,
 &end
#
#    0 AMB  20-2:1408     0 AMB  20-1:1408   4.50    (#   1408:20  Double Ambig)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 760, 768,1840,1841,
 igr2= 756, 757,1892,1893,
 &end
#
#    0 AMB  20-2:1409     0 AMB  20-1:1409   2.80    (#   1409:20  Double Ambig)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 754,1890,
 igr2= 756, 757,1892,1893,
 &end
#
#    0 AMB  20-2:1410     0 AMB  20-1:1410   5.50    (#   1410:20  Double Ambig)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1=1830, 681, 682, 822, 823,
 igr2=1892,1893, 756, 757,
 &end
#
#   64 ARG  HN           63 GLU  HG+         5.50    (#   1413:20  Unique         2.51, 4.49 A)
 &rst
  ixpk= 1413, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 948, 949,
 &end
#
#   63 GLU  HB+          63 GLU  HG+         3.50    (#   1414:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 945, 946,
 igr2= 948, 949,
 &end
#
#    0 AMB  20-2:1415     0 AMB  20-1:1415   4.50    (#   1415:20  Double Ambig)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2= 948, 949, 948, 949, 948, 949,
 &end
#
#   63 GLU  HA           63 GLU  HG+         3.50    (#   1416:20  Unique         2.65, 3.46 A)
 &rst
  ixpk= 1416, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 948, 949,
 &end
#
#    0 AMB  20-2:1418     0 AMB  20-1:1418   4.50    (#   1418:20  Double Ambig)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 899, 900, 960, 961,
 igr2= 948, 949, 948, 949,
 &end
#
#    0 AMB  20-2:1419     0 AMB  20-1:1419   4.50    (#   1419:20  Double Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 899, 900, 905, 906,
 igr2= 948, 949, 948, 949,
 &end
#
#   64 ARG  HN           63 GLU  HG-         7.00    (#   1420:20  Unique         2.51, 4.49 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 948, 949,
 &end
#
#   63 GLU  HA           63 GLU  HG-         4.50    (#   1421:20  Unique         2.65, 3.46 A)
 &rst
  ixpk= 1421, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 948, 949,
 &end
#
#    0 AMB  20-2:1424    63 GLU  HG-         4.50    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 899, 900, 960, 961, 960, 961,
 igr2= 948, 949,
 &end
#
#   63 GLU  HB+          63 GLU  HG-         3.50    (#   1425:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 945, 946,
 igr2= 948, 949,
 &end
#
#    0 AMB  20-2:1426    63 GLU  HG-         4.50    (#   1426:20  Single Ambig)
 &rst
  ixpk= 1426, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 899, 900, 905, 906, 905, 906,
 igr2= 948, 949,
 &end
#
#    0 AMB  20-2:1427    63 GLU  HG-         4.50    (#   1427:20  Single Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2= 948, 949,
 &end
#
#   56 ASN  HD2+         56 ASN  HB-         4.50    (#   1429:20  Unique         2.28, 3.45 A)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 838, 839,
 igr2= 833, 834,
 &end
#
#   56 ASN  HA           56 ASN  HB-         3.50    (#   1430:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1430, nxpk= 20, iat= 831,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 833, 834,
 &end
#
#   57 SER  HA           56 ASN  HB-         4.50    (#   1431:20  Unique         4.64, 5.56 A)
 &rst
  ixpk= 1431, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 833, 834,
 &end
#
#    0 AMB  20-2:1433    56 ASN  HB-         7.00    (#   1433:20  Single Ambig)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 868, 869,1562,1563,1607,1608,
 igr2= 833, 834,
 &end
#
#   25 ALA  HN           14 ILE  HB          5.50    (#   1437:20  Unique         2.96, 3.15 A)
 &rst
  ixpk= 1437, nxpk= 20, iat= 393, 197, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 ILE  HN           14 ILE  HB          4.50    (#   1438:20  Unique         2.63, 2.79 A)
 &rst
  ixpk= 1438, nxpk= 20, iat= 193, 197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 ILE  HA           14 ILE  HB          4.50    (#   1439:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 1439, nxpk= 20, iat= 195, 197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 ILE  HG1-         14 ILE  HB          3.50    (#   1440:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 203, 204,
 &end
#
#   14 ILE  HG1+         14 ILE  HB          3.50    (#   1441:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 203, 204,
 &end
#
#   25 ALA  MB           14 ILE  HB          4.50    (#   1442:20  Unique         2.23, 3.58 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 397, 398, 399,
 &end
#
#    0 AMB  20-2:1443    14 ILE  HB          3.50    (#   1443:20  Single Ambig)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 206, 207, 208, 199, 200, 201,
 &end
#
#   28 ILE  HN           28 ILE  HB          5.50    (#   1446:20  Unique         3.83, 3.86 A)
 &rst
  ixpk= 1446, nxpk= 20, iat= 443, 447, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 ILE  HA           28 ILE  HB          3.50    (#   1447:20  Unique         2.36, 2.39 A)
 &rst
  ixpk= 1447, nxpk= 20, iat= 445, 447, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1448    28 ILE  HB          4.50    (#   1448:20  Single Ambig)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 453, 454,1423,1424,
 &end
#
#   93 ILE  QG2          28 ILE  HB          3.50    (#   1449:20  Unique         2.33, 3.72 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1419,1420,1421,
 &end
#
#    0 AMB  20-2:1450    28 ILE  HB          2.80    (#   1450:20  Single Ambig)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 449, 450, 451,1426,1427,1428,
 &end
#
#   28 ILE  QD1          28 ILE  HB          2.80    (#   1451:20  Unique         2.37, 2.92 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 456, 457, 458,
 &end
#
#   21 TYR  HD           21 TYR  HB-         4.50    (#   1453:20  Unique         2.30, 3.08 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 324, 333,
 igr2= 320, 321,
 &end
#
#    0 AMB  20-2:1454    21 TYR  HB-         3.50    (#   1454:20  Single Ambig)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 318, 646,
 igr2= 320, 321,
 &end
#
#   18 ARG  HB+          21 TYR  HB-         5.50    (#   1456:20  Unique         3.02, 4.80 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 270, 271,
 igr2= 320, 321,
 &end
#
#   19 LEU  HN           21 TYR  HB-         4.50    (#   1457:20  Unique         3.77, 5.00 A)
 &rst
  ixpk= 1457, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   77 ASN  HD2-         77 ASN  HB-         4.50    (#   1461:20  Unique         2.27, 3.47 A)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   77 ASN  HA           77 ASN  HB-         4.50    (#   1462:20  Unique         2.38, 2.78 A)
 &rst
  ixpk= 1462, nxpk= 20, iat=1157,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1159,1160,
 &end
#
#   27 TYR  HA           27 TYR  HB+         5.50    (#   1465:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 1465, nxpk= 20, iat= 424,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:1467     0 AMB  20-1:1467   7.00    (#   1467:20  Double Ambig)
 &rst
  ixpk= 1467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=14.98, r4=15.73,
 igr1=1122,1123, 203, 204, 412, 413, 414, 416, 417, 418,
       109, 110,
 igr2=1159,1160, 426, 427, 426, 427, 426, 427,
 &end
#
#   27 TYR  HN           27 TYR  HB+         4.50    (#   1468:20  Unique         2.27, 2.41 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 426, 427,
 &end
#
#   27 TYR  HD           27 TYR  HB+         4.50    (#   1469:20  Unique         2.31, 3.08 A)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 430, 439,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:1470     0 AMB  20-1:1470   5.50    (#   1470:20  Double Ambig)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1= 112, 113, 515, 516, 517, 519, 520, 521,
 igr2= 426, 427, 426, 427,
 &end
#
#   14 ILE  QD1          27 TYR  HB+         5.50    (#   1471:20  Unique         2.14, 4.08 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 206, 207, 208,
 igr2= 426, 427,
 &end
#
#   19 LEU  HN           21 TYR  HB+         4.50    (#   1472:20  Unique         3.77, 5.00 A)
 &rst
  ixpk= 1472, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   18 ARG  HB+          21 TYR  HB+         7.00    (#   1475:20  Unique         3.02, 4.80 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 270, 271,
 igr2= 320, 321,
 &end
#
#   27 TYR  HA           27 TYR  HB-         5.50    (#   1478:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 1478, nxpk= 20, iat= 424,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 426, 427,
 &end
#
#   27 TYR  HD           27 TYR  HB-         4.50    (#   1479:20  Unique         2.31, 3.08 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 430, 439,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:1481    27 TYR  HB-         4.50    (#   1481:20  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 112, 113, 515, 516, 517, 519, 520, 521,
 igr2= 426, 427,
 &end
#
#   14 ILE  QD1          27 TYR  HB-         4.50    (#   1482:20  Unique         2.14, 4.08 A)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 206, 207, 208,
 igr2= 426, 427,
 &end
#
#   27 TYR  HN           27 TYR  HB-         4.50    (#   1483:20  Unique         2.27, 2.41 A)
 &rst
  ixpk= 1483, nxpk= 20, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 426, 427,
 &end
#
#   30 ASP  HA           27 TYR  HB-         7.00    (#   1485:20  Unique         6.84, 7.32 A)
 &rst
  ixpk= 1485, nxpk= 20, iat= 471,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 426, 427,
 &end
#
#   22 GLU  HA           22 GLU  HG+         5.50    (#   1486:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 1486, nxpk= 20, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 344, 345,
 &end
#
#    0 AMB  20-2:1488     0 AMB  20-1:1488   4.50    (#   1488:20  Double Ambig)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 341, 342, 270, 271,
 igr2= 344, 345, 344, 345,
 &end
#
#   77 ASN  HD2+         77 ASN  HB+         5.50    (#   1489:20  Unique         2.27, 3.47 A)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   77 ASN  HN           77 ASN  HB+         5.50    (#   1490:20  Unique         2.49, 3.11 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1159,1160,
 &end
#
#   77 ASN  HD2-         77 ASN  HB+         5.50    (#   1491:20  Unique         2.27, 3.47 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   77 ASN  HA           77 ASN  HB+         4.50    (#   1492:20  Unique         2.38, 2.78 A)
 &rst
  ixpk= 1492, nxpk= 20, iat=1157,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1159,1160,
 &end
#
#    0 AMB  20-2:1494     0 AMB  20-1:1494   7.00    (#   1494:20  Double Ambig)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 216, 217,1122,1123,
 igr2=1159,1160,1159,1160,
 &end
#
#    0 AMB  20-2:1495    92 ILE  HB          4.50    (#   1495:20  Single Ambig)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,1423,1424,
 &end
#
#   93 ILE  HN           92 ILE  HB          4.50    (#   1496:20  Unique         2.61, 2.85 A)
 &rst
  ixpk= 1496, nxpk= 20, iat=1413,1398, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HN           92 ILE  HB          4.50    (#   1497:20  Unique         2.21, 2.57 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=1394,1398, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 VAL  HA           92 ILE  HB          4.50    (#   1498:20  Unique         2.78, 3.20 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=1349,1398, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1499    92 ILE  HB          5.50    (#   1499:20  Single Ambig)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 157, 158,1396,
 &end
#
#   92 ILE  HG1-         92 ILE  HB          5.50    (#   1500:20  Unique         2.28, 2.56 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#   92 ILE  QD1          92 ILE  HB          3.50    (#   1502:20  Unique         2.53, 3.71 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1407,1408,1409,
 &end
#
#    0 AMB  20-2:1503    92 ILE  HB          3.50    (#   1503:20  Single Ambig)
 &rst
  ixpk= 1503, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 &end
#
#   22 GLU  HA           22 GLU  HG-         4.50    (#   1505:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 1505, nxpk= 20, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 344, 345,
 &end
#
#    0 AMB  20-2:1507    22 GLU  HG-         4.50    (#   1507:20  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 341, 342, 270, 271,
 igr2= 344, 345,
 &end
#
#   17 PHE  HA           22 GLU  HG-         5.50    (#   1509:20  Unique         1.96, 3.02 A)
 &rst
  ixpk= 1509, nxpk= 20, iat= 248,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 344, 345,
 &end
#
#   22 GLU  HB-          22 GLU  HG-         4.50    (#   1510:20  Unique         2.28, 2.73 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 341, 342,
 igr2= 344, 345,
 &end
#
#    0 AMB  20-2:1511     0 AMB  20-1:1511   3.50    (#   1511:20  Double Ambig)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1730,1731,1735, 324, 333,
 igr2=1725,1726,1725,1726, 320, 321,
 &end
#
#    0 AMB  20-2:1512     0 AMB  20-1:1512   3.50    (#   1512:20  Double Ambig)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1723, 318, 646,
 igr2=1725,1726, 320, 321, 320, 321,
 &end
#
#    0 AMB  20-2:1514     0 AMB  20-1:1514   5.50    (#   1514:20  Double Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 605, 606,1644,1645,
 igr2=1725,1726,1725,1726,
 &end
#
#  112 ASN  HN          112 ASN  HB-         4.50    (#   1515:20  Unique         2.10, 2.65 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=1721,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1725,1726,
 &end
#
#    0 AMB  20-2:1516   112 ASN  HB-         4.50    (#   1516:20  Single Ambig)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1730,1731,1735,
 igr2=1725,1726,
 &end
#
#  112 ASN  HA          112 ASN  HB-         4.50    (#   1517:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=1723,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1725,1726,
 &end
#
#    0 AMB  20-2:1518   112 ASN  HB-         5.50    (#   1518:20  Single Ambig)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 605, 606,1644,1645,
 igr2=1725,1726,
 &end
#
#   39 PRO  HD-         112 ASN  HB-         4.50    (#   1519:20  Unique         2.47, 3.43 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 605, 606,
 igr2=1725,1726,
 &end
#
#    0 AMB  20-2:1526    61 LYS  HB-         4.50    (#   1526:20  Single Ambig)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
 igr2= 899, 900,
 &end
#
#   62 ARG  HN           61 LYS  HB-         4.50    (#   1527:20  Unique         2.46, 3.38 A)
 &rst
  ixpk= 1527, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 899, 900,
 &end
#
#   61 LYS  HA           61 LYS  HB-         4.50    (#   1528:20  Unique         2.46, 2.80 A)
 &rst
  ixpk= 1528, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 899, 900,
 &end
#
#    0 AMB  20-2:1529    61 LYS  HB-         4.50    (#   1529:20  Single Ambig)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 945, 946, 948, 949,
 igr2= 899, 900,
 &end
#
#   61 LYS  HG-          61 LYS  HB-         4.50    (#   1532:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 902, 903,
 igr2= 899, 900,
 &end
#
#   61 LYS  HN           61 LYS  HB+         5.50    (#   1533:20  Unique         2.51, 3.24 A)
 &rst
  ixpk= 1533, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 899, 900,
 &end
#
#   61 LYS  HA           61 LYS  HB+         4.50    (#   1534:20  Unique         2.46, 2.80 A)
 &rst
  ixpk= 1534, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 899, 900,
 &end
#
#    0 AMB  20-2:1536     0 AMB  20-1:1536   5.50    (#   1536:20  Double Ambig)
 &rst
  ixpk= 1536, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 945, 946, 948, 949,
 igr2= 899, 900, 899, 900,
 &end
#
#   61 LYS  HG-          61 LYS  HB+         4.50    (#   1539:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 902, 903,
 igr2= 899, 900,
 &end
#
#    0 AMB  20-2:1540     0 AMB  20-1:1540   5.50    (#   1540:20  Double Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
 igr2= 899, 900, 899, 900,
 &end
#
#   62 ARG  HN           61 LYS  HB+         7.00    (#   1541:20  Unique         2.46, 3.38 A)
 &rst
  ixpk= 1541, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 899, 900,
 &end
#
#   17 PHE  HN           17 PHE  HB-         4.50    (#   1542:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 1542, nxpk= 20, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 250, 251,
 &end
#
#    0 AMB  20-2:1543    17 PHE  HB-         4.50    (#   1543:20  Single Ambig)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 248,1074,
 igr2= 250, 251,
 &end
#
#   17 PHE  HN           17 PHE  HB+         4.50    (#   1545:20  Unique         2.28, 2.68 A)
 &rst
  ixpk= 1545, nxpk= 20, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 250, 251,
 &end
#
#    0 AMB  20-2:1546     0 AMB  20-1:1546   5.50    (#   1546:20  Double Ambig)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 248,1074,
 igr2= 250, 251, 250, 251,
 &end
#
#   78 ASN  HN           78 ASN  HB-         5.50    (#   1550:20  Unique         2.17, 2.95 A)
 &rst
  ixpk= 1550, nxpk= 20, iat=1169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1173,1174,
 &end
#
#    0 AMB  20-2:1551    78 ASN  HB-         4.50    (#   1551:20  Single Ambig)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1178,1179,1178,1179,
 igr2=1173,1174,
 &end
#
#   78 ASN  HA           78 ASN  HB-         4.50    (#   1552:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=1171,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1173,1174,
 &end
#
#    0 AMB  20-2:1555     0 AMB  20-1:1555   4.50    (#   1555:20  Double Ambig)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1178,1179,1178,1179,
 igr2=1173,1174,1173,1174,
 &end
#
#   78 ASN  HN           78 ASN  HB+         4.50    (#   1557:20  Unique         2.17, 2.95 A)
 &rst
  ixpk= 1557, nxpk= 20, iat=1169,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1173,1174,
 &end
#
#   78 ASN  HA           78 ASN  HB+         4.50    (#   1558:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 1558, nxpk= 20, iat=1171,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1173,1174,
 &end
#
#   64 ARG  HN           63 GLU  HB-         4.50    (#   1560:20  Unique         2.47, 3.37 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 945, 946,
 &end
#
#   63 GLU  HN           63 GLU  HB-         5.50    (#   1561:20  Unique         2.58, 3.31 A)
 &rst
  ixpk= 1561, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 945, 946,
 &end
#
#   63 GLU  HA           63 GLU  HB-         4.50    (#   1562:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1562, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 945, 946,
 &end
#
#   63 GLU  HG+          63 GLU  HB-         2.80    (#   1563:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1563, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 948, 949,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:1565    63 GLU  HB-         4.50    (#   1565:20  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2= 945, 946,
 &end
#
#   93 ILE  HN           93 ILE  HB          3.50    (#   1566:20  Unique         2.27, 2.39 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=1413,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 SER  HN           93 ILE  HB          4.50    (#   1567:20  Unique         2.39, 2.62 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=1432,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 GLU  HA           93 ILE  HB          4.50    (#   1568:20  Unique         2.29, 2.53 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=1365,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HA           93 ILE  HB          4.50    (#   1569:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=1415,1417, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  QG2          93 ILE  HB          2.80    (#   1570:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1419,1420,1421,
 &end
#
#   93 ILE  QD1          93 ILE  HB          3.50    (#   1571:20  Unique         2.48, 3.55 A)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1426,1427,1428,
 &end
#
#   93 ILE  HG1-         93 ILE  HB          4.50    (#   1572:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1423,1424,
 &end
#
#   64 ARG  HN           63 GLU  HB+         4.50    (#   1573:20  Unique         2.47, 3.37 A)
 &rst
  ixpk= 1573, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 945, 946,
 &end
#
#   63 GLU  HN           63 GLU  HB+         5.50    (#   1574:20  Unique         2.58, 3.31 A)
 &rst
  ixpk= 1574, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 945, 946,
 &end
#
#   63 GLU  HA           63 GLU  HB+         4.50    (#   1575:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 1575, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 945, 946,
 &end
#
#   63 GLU  HG+          63 GLU  HB+         2.80    (#   1576:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 948, 949,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:1578     0 AMB  20-1:1578   4.50    (#   1578:20  Double Ambig)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2= 945, 946, 945, 946, 945, 946,
 &end
#
#    0 AMB  20-2:1579   104 MET  HB-         5.50    (#   1579:20  Single Ambig)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1580, 854,
 igr2=1584,1585,
 &end
#
#   36 LEU  MDX         104 MET  HB-         7.00    (#   1581:20  Unique         2.34, 4.49 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1584,1585,
 &end
#
#  104 MET  HG-         104 MET  HB+         3.50    (#   1582:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1587,1588,
 igr2=1584,1585,
 &end
#
#   36 LEU  MDY         104 MET  HB+         5.50    (#   1584:20  Unique         2.34, 4.49 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1584,1585,
 &end
#
#    0 AMB  20-2:1585     0 AMB  20-1:1585   4.50    (#   1585:20  Double Ambig)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1580, 854,
 igr2=1584,1585,1584,1585,
 &end
#
#  104 MET  HA          104 MET  HB+         4.50    (#   1586:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1586, nxpk= 20, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1584,1585,
 &end
#
#   98 GLU  HN           98 GLU  HG-         3.50    (#   1587:20  Unique         2.49, 3.14 A)
 &rst
  ixpk= 1587, nxpk= 20, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1493,1494,
 &end
#
#   98 GLU  HB-          98 GLU  HG-         2.80    (#   1588:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
#   98 GLU  HA           98 GLU  HG-         3.50    (#   1589:20  Unique         2.39, 3.02 A)
 &rst
  ixpk= 1589, nxpk= 20, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1493,1494,
 &end
#
#   98 GLU  HN           98 GLU  HG+         3.50    (#   1591:20  Unique         2.49, 3.14 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1493,1494,
 &end
#
#   98 GLU  HA           98 GLU  HG+         3.50    (#   1592:20  Unique         2.39, 3.02 A)
 &rst
  ixpk= 1592, nxpk= 20, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1493,1494,
 &end
#
#   98 GLU  HB-          98 GLU  HG+         2.80    (#   1593:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1490,1491,
 igr2=1493,1494,
 &end
#
#  104 MET  HA          104 MET  HB-         3.50    (#   1599:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1584,1585,
 &end
#
#   90 GLU  HN           90 GLU  HG+         3.50    (#   1616:20  Unique         2.04, 2.79 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1370,1371,
 &end
#
#   91 VAL  HN           90 GLU  HG+         4.50    (#   1617:20  Unique         2.43, 4.14 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1370,1371,
 &end
#
#   90 GLU  HA           90 GLU  HG+         3.50    (#   1618:20  Unique         2.48, 3.27 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1370,1371,
 &end
#
#   91 VAL  HA           90 GLU  HG+         7.00    (#   1619:20  Unique         3.59, 5.87 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1370,1371,
 &end
#
#    0 AMB  20-2:1621     0 AMB  20-1:1621   2.80    (#   1621:20  Double Ambig)
 &rst
  ixpk= 1621, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1367,1368,1351,
 igr2=1370,1371,1370,1371,
 &end
#
#   91 VAL  MGX          90 GLU  HG+         4.50    (#   1622:20  Unique         2.50, 6.89 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1370,1371,
 &end
#
#    0 AMB  20-2:1623     0 AMB  20-1:1623   4.50    (#   1623:20  Double Ambig)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1353,1354,1355,1357,1358,1359,1384,1385,1386,1388,
      1389,1390,
 igr2=1370,1371,1370,1371,
 &end
#
#   67 ASP  HA           66 GLU  HG+         5.50    (#   1625:20  Unique         3.53, 4.44 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1006,1007,
 &end
#
#   66 GLU  HB-          66 GLU  HG+         2.80    (#   1627:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1003,1004,
 igr2=1006,1007,
 &end
#
#   41 GLU  HA           41 GLU  HG+         3.50    (#   1631:20  Unique         2.21, 3.26 A)
 &rst
  ixpk= 1631, nxpk= 20, iat= 631,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 636, 637,
 &end
#
#    0 AMB  20-2:1632     0 AMB  20-1:1632   2.80    (#   1632:20  Double Ambig)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 633, 634, 740, 669, 670,
 igr2= 636, 637, 636, 637, 636, 637,
 &end
#
#   41 GLU  HB-          41 GLU  HG+         2.80    (#   1633:20  Unique         2.18, 2.66 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 633, 634,
 igr2= 636, 637,
 &end
#
#  101 GLY  HA-          59 GLU  HG+         5.50    (#   1637:20  Unique         2.92, 4.43 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1536,1537,
 igr2= 871, 872,
 &end
#
#   59 GLU  HA           59 GLU  HG+         3.50    (#   1638:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 1638, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 871, 872,
 &end
#
#  101 GLY  HA+          59 GLU  HG+         5.50    (#   1639:20  Unique         2.92, 4.43 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1536,1537,
 igr2= 871, 872,
 &end
#
#   59 GLU  HB+          59 GLU  HG+         2.80    (#   1641:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 868, 869,
 igr2= 871, 872,
 &end
#
#   61 LYS  HG+          59 GLU  HG+         4.50    (#   1642:20  Unique         2.31, 4.01 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 902, 903,
 igr2= 871, 872,
 &end
#
#   60 VAL  HN           59 GLU  HG+         4.50    (#   1643:20  Unique         2.63, 2.98 A)
 &rst
  ixpk= 1643, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 871, 872,
 &end
#
#    0 AMB  20-2:1644     0 AMB  20-1:1644   4.50    (#   1644:20  Double Ambig)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1541, 864, 580,
 igr2= 871, 872, 871, 872, 871, 872,
 &end
#
#  103 LYS  HA           59 GLU  HG+         5.50    (#   1645:20  Unique         2.69, 3.94 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 871, 872,
 &end
#
#    0 AMB  20-2:1646     0 AMB  20-1:1646   2.80    (#   1646:20  Double Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1=1565,1566,1568,1569, 905, 906, 905, 906,
 igr2= 871, 872, 871, 872, 871, 872, 871, 872,
 &end
#
#   66 GLU  HN           66 GLU  HG+         4.50    (#   1649:20  Unique         1.95, 2.79 A)
 &rst
  ixpk= 1649, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1006,1007,
 &end
#
#   67 ASP  HN           66 GLU  HG+         4.50    (#   1652:20  Unique         2.45, 3.13 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1006,1007,
 &end
#
#   66 GLU  HA           66 GLU  HG+         3.50    (#   1653:20  Unique         3.74, 3.81 A)
 &rst
  ixpk= 1653, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1006,1007,
 &end
#
#    0 AMB  20-2:1656     0 AMB  20-1:1656   5.50    (#   1656:20  Double Ambig)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
      1053,1054,
 igr2=1006,1007,1006,1007,
 &end
#
#    0 AMB  20-2:1657     0 AMB  20-1:1657   4.50    (#   1657:20  Double Ambig)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.81, r4=11.56,
 igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038, 515, 516,
       517, 519, 520, 521,
 igr2=1006,1007,1006,1007,1006,1007,1006,1007,
 &end
#
#    7 GLU  HA            7 GLU  HG-         4.50    (#   1664:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1664, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  97,  98,
 &end
#
#    8 PRO  HD-           7 GLU  HG-         5.50    (#   1665:20  Unique         2.27, 3.44 A)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 107,
 igr2=  97,  98,
 &end
#
#    8 PRO  HD+           7 GLU  HG-         4.50    (#   1666:20  Unique         2.27, 3.44 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  97,  98,
 &end
#
#    7 GLU  HB+           7 GLU  HG-         2.80    (#   1667:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 1667, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  94,  95,
 igr2=  97,  98,
 &end
#
#    8 PRO  HD+           7 GLU  HG+         4.50    (#   1668:20  Unique         2.27, 3.44 A)
 &rst
  ixpk= 1668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  97,  98,
 &end
#
#    7 GLU  HA            7 GLU  HG+         4.50    (#   1670:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  97,  98,
 &end
#
#    8 PRO  HD-           7 GLU  HG+         5.50    (#   1671:20  Unique         2.27, 3.44 A)
 &rst
  ixpk= 1671, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 107,
 igr2=  97,  98,
 &end
#
#    7 GLU  HB-           7 GLU  HG+         2.80    (#   1675:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  94,  95,
 igr2=  97,  98,
 &end
#
#    7 GLU  HB+           7 GLU  HG+         2.80    (#   1676:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  94,  95,
 igr2=  97,  98,
 &end
#
#   84 TYR  HN           83 GLU  HG+         4.50    (#   1679:20  Unique         4.40, 5.02 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1249,1250,
 &end
#
#   83 GLU  HN           83 GLU  HG+         4.50    (#   1680:20  Unique         2.18, 3.03 A)
 &rst
  ixpk= 1680, nxpk= 20, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1249,1250,
 &end
#
#   80 LEU  HA           83 GLU  HG+         5.50    (#   1681:20  Unique         2.26, 3.15 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1249,1250,
 &end
#
#   83 GLU  HA           83 GLU  HG+         3.50    (#   1682:20  Unique         2.45, 3.45 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1249,1250,
 &end
#
#   82 HIS  HB+          83 GLU  HG+         5.50    (#   1683:20  Unique         3.04, 5.23 A)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1229,1230,
 igr2=1249,1250,
 &end
#
#   83 GLU  HB+          83 GLU  HG+         2.80    (#   1686:20  Unique         2.34, 2.62 A)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1246,1247,
 igr2=1249,1250,
 &end
#
#   84 TYR  HH           83 GLU  HG+         5.50    (#   1687:20  Unique         4.67, 6.65 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1249,1250,
 &end
#
#    0 AMB  20-2:1688     0 AMB  20-1:1688   3.50    (#   1688:20  Double Ambig)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1249,1250,1249,1250,
 &end
#
#   34 ILE  HN           33 VAL  HB          4.50    (#   1693:20  Unique         2.37, 2.57 A)
 &rst
  ixpk= 1693, nxpk= 20, iat= 525, 513, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HN           33 VAL  HB          5.50    (#   1694:20  Unique         2.77, 3.24 A)
 &rst
  ixpk= 1694, nxpk= 20, iat= 403, 513, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 VAL  HA           33 VAL  HB          3.50    (#   1695:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1695, nxpk= 20, iat= 511, 513, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 ALA  MB           33 VAL  HB          3.50    (#   1696:20  Unique         2.24, 3.43 A)
 &rst
  ixpk= 1696, nxpk= 20, iat=  -1, 513, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 397, 398, 399,
 &end
#
#   33 VAL  MGX          33 VAL  HB          3.50    (#   1697:20  Unique         2.32, 2.64 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1, 513, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  MGY          33 VAL  HB          3.50    (#   1698:20  Unique         2.32, 2.64 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1, 513, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:1703    15 GLU  HG-         5.50    (#   1703:20  Single Ambig)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 379, 216, 217,
 igr2= 219, 220,
 &end
#
#    0 AMB  20-2:1704    15 GLU  HG-         5.50    (#   1704:20  Single Ambig)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1159,1160, 214,
 igr2= 219, 220,
 &end
#
#   15 GLU  HB+          15 GLU  HG-         5.50    (#   1705:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 216, 217,
 igr2= 219, 220,
 &end
#
#   15 GLU  HB+          15 GLU  HG+         5.50    (#   1707:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 216, 217,
 igr2= 219, 220,
 &end
#
#    0 AMB  20-2:1708     0 AMB  20-1:1708   5.50    (#   1708:20  Double Ambig)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 379, 216, 217,
 igr2= 219, 220, 219, 220,
 &end
#
#    0 AMB  20-2:1709     0 AMB  20-1:1709   5.50    (#   1709:20  Double Ambig)
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1159,1160, 214,
 igr2= 219, 220, 219, 220,
 &end
#
#   35 HIS  HA           35 HIS  HB+         4.50    (#   1710:20  Unique         2.24, 2.46 A)
 &rst
  ixpk= 1710, nxpk= 20, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 548, 549,
 &end
#
#   25 ALA  HA           35 HIS  HB+         5.50    (#   1711:20  Unique         2.91, 3.36 A)
 &rst
  ixpk= 1711, nxpk= 20, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 548, 549,
 &end
#
#   25 ALA  MB           35 HIS  HB+         4.50    (#   1713:20  Unique         2.44, 3.86 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 397, 398, 399,
 igr2= 548, 549,
 &end
#
#   35 HIS  HA           35 HIS  HB-         4.50    (#   1714:20  Unique         2.24, 2.46 A)
 &rst
  ixpk= 1714, nxpk= 20, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 548, 549,
 &end
#
#   25 ALA  HA           35 HIS  HB-         5.50    (#   1715:20  Unique         2.91, 3.36 A)
 &rst
  ixpk= 1715, nxpk= 20, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 548, 549,
 &end
#
#   25 ALA  MB           35 HIS  HB-         4.50    (#   1717:20  Unique         2.44, 3.86 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 397, 398, 399,
 igr2= 548, 549,
 &end
#
#   27 TYR  HA           33 VAL  HB          5.50    (#   1719:20  Unique         3.06, 3.98 A)
 &rst
  ixpk= 1719, nxpk= 20, iat= 424, 513, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 ILE  HB           23 HIS  HB-         7.00    (#   1721:20  Unique         2.80, 4.92 A)
 &rst
  ixpk= 1721, nxpk= 20, iat= 231,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 356, 357,
 &end
#
#    0 AMB  20-2:1722    23 HIS  HB-         5.50    (#   1722:20  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 237, 238, 240, 241, 242,
 igr2= 356, 357,
 &end
#
#  103 LYS  HN          102 GLN  HG-         4.50    (#   1725:20  Unique         3.83, 4.86 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#  102 GLN  HN          102 GLN  HG-         3.50    (#   1726:20  Unique         2.49, 3.06 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1548,1549,
 &end
#
#  102 GLN  HE2+        102 GLN  HG-         4.50    (#   1727:20  Unique         2.23, 3.30 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   99 MET  HA          102 GLN  HG-         4.50    (#   1728:20  Unique         2.39, 2.88 A)
 &rst
  ixpk= 1728, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#  102 GLN  HA          102 GLN  HG-         3.50    (#   1729:20  Unique         2.89, 3.56 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1548,1549,
 &end
#
#  102 GLN  HB-         102 GLN  HG-         2.80    (#   1732:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1545,1546,
 igr2=1548,1549,
 &end
#
#   60 VAL  MGY         102 GLN  HG-         5.50    (#   1733:20  Unique         2.43, 5.59 A)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1548,1549,
 &end
#
#  102 GLN  HE2-        102 GLN  HG-         5.50    (#   1734:20  Unique         2.23, 3.30 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#  103 LYS  HN          102 GLN  HG+         4.50    (#   1735:20  Unique         3.83, 4.86 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#  102 GLN  HN          102 GLN  HG+         4.50    (#   1736:20  Unique         2.49, 3.06 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#  102 GLN  HE2+        102 GLN  HG+         5.50    (#   1737:20  Unique         2.23, 3.30 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#  102 GLN  HE2-        102 GLN  HG+         5.50    (#   1738:20  Unique         2.23, 3.30 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#   99 MET  HA          102 GLN  HG+         4.50    (#   1739:20  Unique         2.39, 2.88 A)
 &rst
  ixpk= 1739, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#  102 GLN  HA          102 GLN  HG+         3.50    (#   1740:20  Unique         2.89, 3.56 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1548,1549,
 &end
#
#   99 MET  HG+         102 GLN  HG+         4.50    (#   1742:20  Unique         2.98, 4.53 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1508,1509,
 igr2=1548,1549,
 &end
#
#  102 GLN  HB-         102 GLN  HG+         2.80    (#   1744:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1545,1546,
 igr2=1548,1549,
 &end
#
#   60 VAL  MGY         102 GLN  HG+         5.50    (#   1745:20  Unique         2.43, 5.59 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1548,1549,
 &end
#
#    0 AMB  20-2:1750    23 HIS  HB-         5.50    (#   1750:20  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 352, 561,
 igr2= 356, 357,
 &end
#
#   23 HIS  HA           23 HIS  HB-         4.50    (#   1751:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1751, nxpk= 20, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 356, 357,
 &end
#
#    0 AMB  20-2:1755     0 AMB  20-1:1755   5.50    (#   1755:20  Double Ambig)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 352, 561,
 igr2= 356, 357, 356, 357,
 &end
#
#    0 AMB  20-2:1756     0 AMB  20-1:1756   5.50    (#   1756:20  Double Ambig)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 237, 238, 240, 241, 242,
 igr2= 356, 357, 356, 357,
 &end
#
#   23 HIS  HA           23 HIS  HB+         5.50    (#   1757:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 1757, nxpk= 20, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 356, 357,
 &end
#
#   16 ILE  HB           23 HIS  HB+         7.00    (#   1760:20  Unique         2.80, 4.92 A)
 &rst
  ixpk= 1760, nxpk= 20, iat= 231,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 356, 357,
 &end
#
#  116 PHE  HA          119 GLN  HG-         5.50    (#   1763:20  Unique         2.21, 4.05 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1835,1836,
 &end
#
#  119 GLN  HA          119 GLN  HG-         4.50    (#   1764:20  Unique         2.46, 3.10 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=1830,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#    0 AMB  20-2:1765   119 GLN  HG-         2.80    (#   1765:20  Single Ambig)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=1832,1833,1591,1592,1593,
 igr2=1835,1836,
 &end
#
#  119 GLN  HN          119 GLN  HG-         4.50    (#   1766:20  Unique         2.36, 3.17 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=1828,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#  119 GLN  HE2+        119 GLN  HG-         7.00    (#   1767:20  Unique         2.25, 3.43 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1840,1841,
 igr2=1835,1836,
 &end
#
#  120 LEU  HN          119 GLN  HG-         7.00    (#   1768:20  Unique         2.76, 4.64 A)
 &rst
  ixpk= 1768, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1835,1836,
 &end
#
#  119 GLN  HB-         119 GLN  HG-         2.80    (#   1771:20  Unique         2.26, 2.71 A)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1832,1833,
 igr2=1835,1836,
 &end
#
#  119 GLN  HN          119 GLN  HG+         4.50    (#   1774:20  Unique         2.36, 3.17 A)
 &rst
  ixpk= 1774, nxpk= 20, iat=1828,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#  119 GLN  HE2+        119 GLN  HG+         7.00    (#   1777:20  Unique         2.25, 3.43 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1840,1841,
 igr2=1835,1836,
 &end
#
#  116 PHE  HA          119 GLN  HG+         4.50    (#   1778:20  Unique         2.21, 4.05 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#  119 GLN  HA          119 GLN  HG+         4.50    (#   1779:20  Unique         2.46, 3.10 A)
 &rst
  ixpk= 1779, nxpk= 20, iat=1830,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#    0 AMB  20-2:1784     0 AMB  20-1:1784   3.50    (#   1784:20  Double Ambig)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 879,1580, 854,
 igr2= 868, 869, 868, 869, 868, 869,
 &end
#
#    0 AMB  20-2:1785     0 AMB  20-1:1785   3.50    (#   1785:20  Double Ambig)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 864, 580,
 igr2= 868, 869, 868, 869,
 &end
#
#   59 GLU  HA           59 GLU  HB+         3.50    (#   1786:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 1786, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 868, 869,
 &end
#
#  103 LYS  HE+          59 GLU  HB+         4.50    (#   1787:20  Unique         1.99, 4.89 A)
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1571,1572,
 igr2= 868, 869,
 &end
#
#   61 LYS  HE+          59 GLU  HB+         4.50    (#   1788:20  Unique         2.18, 5.59 A)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 908, 909,
 igr2= 868, 869,
 &end
#
#   59 GLU  HG+          59 GLU  HB+         2.80    (#   1789:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 871, 872,
 igr2= 868, 869,
 &end
#
#    0 AMB  20-2:1790     0 AMB  20-1:1790   7.00    (#   1790:20  Double Ambig)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.47, r4=13.22,
 igr1= 856,1536,1537, 820,
 igr2= 868, 869, 868, 869,1562,1563, 868, 869,
 &end
#
#  102 GLN  HA           59 GLU  HB+         7.00    (#   1801:20  Unique         6.06, 7.30 A)
 &rst
  ixpk= 1801, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 868, 869,
 &end
#
#  103 LYS  HN          103 LYS  HB-         3.50    (#   1802:20  Unique         2.30, 3.10 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1562,1563,
 &end
#
#  103 LYS  HA            0 AMB  20-1:1803   3.50    (#   1803:20  Single Ambig)
 &rst
  ixpk= 1803, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1562,1563, 868, 869,
 &end
#
#  124 LYS  HG-         124 LYS  HB-         3.50    (#   1806:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1923,1924,
 igr2=1920,1921,
 &end
#
#  114 GLU  HA          114 GLU  HG+         5.50    (#   1809:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1753,1754,
 &end
#
#  114 GLU  HB-         114 GLU  HG+         4.50    (#   1810:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1750,1751,
 igr2=1753,1754,
 &end
#
#  114 GLU  HA          114 GLU  HG-         5.50    (#   1815:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1815, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1753,1754,
 &end
#
#  114 GLU  HB-         114 GLU  HG-         5.50    (#   1816:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1750,1751,
 igr2=1753,1754,
 &end
#
#   99 MET  HN           99 MET  HB-         4.50    (#   1820:20  Unique         2.24, 2.93 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#  100 VAL  HN           99 MET  HB-         4.50    (#   1821:20  Unique         2.85, 3.47 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#   99 MET  HG-          99 MET  HB-         4.50    (#   1822:20  Unique         2.32, 2.75 A)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1508,1509,
 igr2=1505,1506,
 &end
#
#   99 MET  HG+          99 MET  HB-         4.50    (#   1823:20  Unique         2.32, 2.75 A)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1508,1509,
 igr2=1505,1506,
 &end
#
#   60 VAL  MGX          99 MET  HB-         4.50    (#   1824:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1505,1506,
 &end
#
#   60 VAL  MGY          99 MET  HB-         5.50    (#   1825:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1505,1506,
 &end
#
#    6 GLN  HE2-          6 GLN  HG+         5.50    (#   1827:20  Unique         2.18, 3.47 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  85,  86,
 igr2=  80,  81,
 &end
#
#    6 GLN  HA            6 GLN  HG+         4.50    (#   1830:20  Unique         2.51, 3.05 A)
 &rst
  ixpk= 1830, nxpk= 20, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  80,  81,
 &end
#
#    6 GLN  HB-           6 GLN  HG+         2.80    (#   1834:20  Unique         2.24, 2.75 A)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  77,  78,
 igr2=  80,  81,
 &end
#
#    6 GLN  HB+           6 GLN  HG+         2.80    (#   1835:20  Unique         2.24, 2.75 A)
 &rst
  ixpk= 1835, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  77,  78,
 igr2=  80,  81,
 &end
#
#  125 SER  HN          124 LYS  HB-         5.50    (#   1844:20  Unique         3.10, 3.87 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=1938,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1920,1921,
 &end
#
#    0 AMB  20-2:1845   124 LYS  HB-         5.50    (#   1845:20  Single Ambig)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1290,1291,1916,
 igr2=1920,1921,
 &end
#
#  124 LYS  HA          124 LYS  HB-         3.50    (#   1846:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 1846, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1920,1921,
 &end
#
#  125 SER  HN          124 LYS  HB+         4.50    (#   1850:20  Unique         3.10, 3.87 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=1938,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1920,1921,
 &end
#
#    0 AMB  20-2:1851     0 AMB  20-1:1851   5.50    (#   1851:20  Double Ambig)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1290,1291,1916,
 igr2=1920,1921,1920,1921,
 &end
#
#  124 LYS  HA          124 LYS  HB+         4.50    (#   1852:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 1852, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1920,1921,
 &end
#
#  124 LYS  HG-         124 LYS  HB+         3.50    (#   1855:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1923,1924,
 igr2=1920,1921,
 &end
#
#    0 AMB  20-2:1861     0 AMB  20-1:1861   5.50    (#   1861:20  Double Ambig)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1290,1291,1916,
 igr2=1285,1286,1285,1286,
 &end
#
#   85 GLN  HA           85 GLN  HG+         3.50    (#   1862:20  Unique         2.21, 3.51 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1285,1286,
 &end
#
#   86 PRO  HD+          85 GLN  HG+         4.50    (#   1863:20  Unique         2.10, 3.73 A)
 &rst
  ixpk= 1863, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1296,1297,
 igr2=1285,1286,
 &end
#
#    0 AMB  20-2:1864     0 AMB  20-1:1864   4.50    (#   1864:20  Double Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1296,1297,1334,1335,
 igr2=1285,1286,1285,1286,
 &end
#
#   85 GLN  HN           85 GLN  HG+         4.50    (#   1867:20  Unique         3.00, 4.41 A)
 &rst
  ixpk= 1867, nxpk= 20, iat=1278,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1285,1286,
 &end
#
#   85 GLN  HE2+         85 GLN  HG+         5.50    (#   1868:20  Unique         2.38, 3.56 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1290,1291,
 igr2=1285,1286,
 &end
#
#    0 AMB  20-2:1871     0 AMB  20-1:1871   2.80    (#   1871:20  Double Ambig)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1282,1283,1299,1300,
 igr2=1285,1286,1285,1286,
 &end
#
#   99 MET  HA           99 MET  HB-         4.50    (#   1874:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1505,1506,
 &end
#
#   24 TRP  HA           24 TRP  HB+         7.00    (#   1881:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1881, nxpk= 20, iat= 371,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#   24 TRP  HA           24 TRP  HB-         7.00    (#   1883:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1883, nxpk= 20, iat= 371,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#  117 VAL  MGY          24 TRP  HB-         5.50    (#   1885:20  Unique         2.30, 4.03 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1804,1805,1806,1808,1809,1810,
 igr2= 373, 374,
 &end
#
#    0 AMB  20-2:1886    24 TRP  HB-         5.50    (#   1886:20  Single Ambig)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1748, 548, 549,
 igr2= 373, 374,
 &end
#
#   76 VAL  HN           75 ARG  HB-         4.50    (#   1887:20  Unique         2.51, 3.92 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1119,1120,
 &end
#
#   75 ARG  HA           75 ARG  HB-         3.50    (#   1888:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 1888, nxpk= 20, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1119,1120,
 &end
#
#   75 ARG  HD-          75 ARG  HB-         4.50    (#   1889:20  Unique         2.38, 3.36 A)
 &rst
  ixpk= 1889, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1125,1126,
 igr2=1119,1120,
 &end
#
#  117 VAL  MGY          24 TRP  HB+         4.50    (#   1892:20  Unique         2.30, 4.03 A)
 &rst
  ixpk= 1892, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1804,1805,1806,1808,1809,1810,
 igr2= 373, 374,
 &end
#
#    0 AMB  20-2:1893    75 ARG  HB-         4.50    (#   1893:20  Single Ambig)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 216, 217,1122,1123,
 igr2=1119,1120,
 &end
#
#    0 AMB  20-2:1895    99 MET  HG-         5.50    (#   1895:20  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1447,1448,1456,
 igr2=1508,1509,
 &end
#
#   99 MET  HB-          99 MET  HG-         3.50    (#   1897:20  Unique         2.32, 2.75 A)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1505,1506,
 igr2=1508,1509,
 &end
#
#   99 MET  HN           99 MET  HG+         4.50    (#   1898:20  Unique         2.48, 3.30 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1508,1509,
 &end
#
#   96 ALA  HA           99 MET  HG+         5.50    (#   1899:20  Unique         3.94, 4.76 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1508,1509,
 &end
#
#    0 AMB  20-2:1902     0 AMB  20-1:1902   4.50    (#   1902:20  Double Ambig)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1512,1513,1514,1490,1491,
 igr2=1508,1509,1508,1509,
 &end
#
#  120 LEU  MDX          99 MET  HG+         5.50    (#   1903:20  Unique         4.17, 6.79 A)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1508,1509,
 &end
#
#   36 LEU  MDY         104 MET  HG+         5.50    (#   1905:20  Unique         2.42, 5.00 A)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1587,1588,
 &end
#
#   97 LYS  HD+          97 LYS  HB-         2.80    (#   1907:20  Unique         2.46, 3.24 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1474,1475,
 igr2=1468,1469,
 &end
#
#  105 LYS  HN          105 LYS  HB+         3.50    (#   1908:20  Unique         2.77, 3.21 A)
 &rst
  ixpk= 1908, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#    0 AMB  20-2:1909     0 AMB  20-1:1909   3.50    (#   1909:20  Double Ambig)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 845,1582,
 igr2=1601,1602,1601,1602,
 &end
#
#  105 LYS  HA          105 LYS  HB+         3.50    (#   1910:20  Unique         2.44, 2.84 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#  105 LYS  HE+         105 LYS  HB+         5.50    (#   1911:20  Unique         2.17, 4.21 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1610,1611,
 igr2=1601,1602,
 &end
#
#  105 LYS  HG+         105 LYS  HB+         3.50    (#   1912:20  Unique         2.27, 2.60 A)
 &rst
  ixpk= 1912, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1604,1605,
 igr2=1601,1602,
 &end
#
#  105 LYS  HG-         105 LYS  HB+         2.80    (#   1913:20  Unique         2.27, 2.60 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1604,1605,
 igr2=1601,1602,
 &end
#
#   99 MET  HN           99 MET  HG-         4.50    (#   1919:20  Unique         2.48, 3.30 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1508,1509,
 &end
#
#    0 AMB  20-2:1920    99 MET  HG-         5.50    (#   1920:20  Single Ambig)
 &rst
  ixpk= 1920, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1518,1788,1792,
 igr2=1508,1509,
 &end
#
#   99 MET  HA           99 MET  HG-         4.50    (#   1921:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 1921, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1508,1509,
 &end
#
#    0 AMB  20-2:1923    99 MET  HG-         3.50    (#   1923:20  Single Ambig)
 &rst
  ixpk= 1923, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1512,1513,1514,1490,1491,
 igr2=1508,1509,
 &end
#
#   60 VAL  MGX          99 MET  HG-         7.00    (#   1924:20  Unique         3.75, 5.75 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1508,1509,
 &end
#
#  120 LEU  MDX          99 MET  HG-         5.50    (#   1925:20  Unique         4.17, 6.79 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1508,1509,
 &end
#
#  102 GLN  HG-          99 MET  HG-         4.50    (#   1926:20  Unique         2.98, 4.53 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2=1508,1509,
 &end
#
#    0 AMB  20-2:1928     0 AMB  20-1:1928   4.50    (#   1928:20  Double Ambig)
 &rst
  ixpk= 1928, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1518,1788,1792,
 igr2=1508,1509,1508,1509,
 &end
#
#   99 MET  HA           99 MET  HG+         4.50    (#   1929:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 1929, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1508,1509,
 &end
#
#  102 GLN  HG-          99 MET  HG+         4.50    (#   1930:20  Unique         2.98, 4.53 A)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2=1508,1509,
 &end
#
#   99 MET  HB-          99 MET  HG+         3.50    (#   1931:20  Unique         2.32, 2.75 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1505,1506,
 igr2=1508,1509,
 &end
#
#   36 LEU  MDX         104 MET  HG-         5.50    (#   1933:20  Unique         2.42, 5.00 A)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1587,1588,
 &end
#
#    0 AMB  20-2:1934   104 MET  HG-         4.50    (#   1934:20  Single Ambig)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1580, 879,
 igr2=1587,1588,
 &end
#
#  104 MET  HA          104 MET  HG-         3.50    (#   1935:20  Unique         2.45, 3.02 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  104 MET  HB+         104 MET  HG-         3.50    (#   1940:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1584,1585,
 igr2=1587,1588,
 &end
#
#   36 LEU  MDY         104 MET  HG-         7.00    (#   1941:20  Unique         2.42, 5.00 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1587,1588,
 &end
#
#    0 AMB  20-2:1942     0 AMB  20-1:1942   5.50    (#   1942:20  Double Ambig)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1580, 879,
 igr2=1587,1588,1587,1588,
 &end
#
#  104 MET  HB+         104 MET  HG+         3.50    (#   1943:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1943, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1584,1585,
 igr2=1587,1588,
 &end
#
#   36 LEU  MDX         104 MET  HG+         4.50    (#   1944:20  Unique         2.42, 5.00 A)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1587,1588,
 &end
#
#  109 VAL  HA          109 VAL  HB          3.50    (#   1945:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=1672,1674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 VAL  MGY         109 VAL  HB          2.80    (#   1948:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1,1674, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1676,1677,1678,1680,1681,1682,
 &end
#
#   50 VAL  HA           50 VAL  HB          3.50    (#   1950:20  Unique         2.38, 2.52 A)
 &rst
  ixpk= 1950, nxpk= 20, iat= 738, 740, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1951    50 VAL  HB          2.80    (#   1951:20  Single Ambig)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1, 740, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
#   97 LYS  HN           97 LYS  HB-         3.50    (#   1952:20  Unique         2.25, 2.95 A)
 &rst
  ixpk= 1952, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1468,1469,
 &end
#
#   98 GLU  HN           97 LYS  HB-         4.50    (#   1953:20  Unique         2.85, 3.39 A)
 &rst
  ixpk= 1953, nxpk= 20, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1468,1469,
 &end
#
#   94 SER  HA           97 LYS  HB-         3.50    (#   1954:20  Unique         2.65, 3.65 A)
 &rst
  ixpk= 1954, nxpk= 20, iat=1434,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1468,1469,
 &end
#
#   97 LYS  HG-          97 LYS  HB-         3.50    (#   1955:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1471,1472,
 igr2=1468,1469,
 &end
#
#   97 LYS  HA           97 LYS  HB-         3.50    (#   1956:20  Unique         2.49, 2.81 A)
 &rst
  ixpk= 1956, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1468,1469,
 &end
#
#    9 LYS  HA            0 AMB  20-1:1957   3.50    (#   1957:20  Single Ambig)
 &rst
  ixpk= 1957, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 123, 124, 123, 124,
 &end
#
#    0 AMB  20-2:1958     0 AMB  20-1:1958   4.50    (#   1958:20  Double Ambig)
 &rst
  ixpk= 1958, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 142, 143, 142, 143,
 igr2= 123, 124, 123, 124,
 &end
#
#    9 LYS  HN            0 AMB  20-1:1959   4.50    (#   1959:20  Single Ambig)
 &rst
  ixpk= 1959, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 123, 124, 123, 124,
 &end
#
#    9 LYS  HN            0 AMB  20-1:1960   4.50    (#   1960:20  Single Ambig)
 &rst
  ixpk= 1960, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 123, 124, 123, 124,
 &end
#
#   88 PRO  HG-          88 PRO  HB+         3.50    (#   1961:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1337,1338,
 igr2=1340,1341,
 &end
#
#   84 TYR  HN           83 GLU  HB+         4.50    (#   1964:20  Unique         2.70, 3.78 A)
 &rst
  ixpk= 1964, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1246,1247,
 &end
#
#   83 GLU  HN           83 GLU  HB+         3.50    (#   1965:20  Unique         2.41, 3.07 A)
 &rst
  ixpk= 1965, nxpk= 20, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1246,1247,
 &end
#
#   84 TYR  HE           83 GLU  HB+         4.50    (#   1966:20  Unique         2.65, 4.87 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1267,1272,
 igr2=1246,1247,
 &end
#
#   84 TYR  HH           83 GLU  HB+         4.50    (#   1967:20  Unique         4.11, 5.41 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1246,1247,
 &end
#
#   80 LEU  HA           83 GLU  HB+         5.50    (#   1969:20  Unique         2.41, 4.43 A)
 &rst
  ixpk= 1969, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1246,1247,
 &end
#
#   83 GLU  HA           83 GLU  HB+         3.50    (#   1970:20  Unique         2.41, 2.75 A)
 &rst
  ixpk= 1970, nxpk= 20, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1246,1247,
 &end
#
#   83 GLU  HG+          83 GLU  HB+         2.80    (#   1971:20  Unique         2.34, 2.62 A)
 &rst
  ixpk= 1971, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1249,1250,
 igr2=1246,1247,
 &end
#
#    0 AMB  20-2:1972     0 AMB  20-1:1972   4.50    (#   1972:20  Double Ambig)
 &rst
  ixpk= 1972, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1246,1247,1246,1247,
 &end
#
#   89 VAL  HN           88 PRO  HB-         5.50    (#   1975:20  Unique         3.59, 4.17 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1340,1341,
 &end
#
#   91 VAL  HN           88 PRO  HB-         5.50    (#   1976:20  Unique         3.07, 4.12 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1340,1341,
 &end
#
#   88 PRO  HA           88 PRO  HB-         3.50    (#   1977:20  Unique         2.29, 2.54 A)
 &rst
  ixpk= 1977, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:1979    88 PRO  HB-         2.80    (#   1979:20  Single Ambig)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1337,1338,1382,
 igr2=1340,1341,
 &end
#
#   88 PRO  HG-          88 PRO  HB-         2.80    (#   1980:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1337,1338,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:1982    88 PRO  HB-         4.50    (#   1982:20  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1384,1385,1386,1388,1389,1390,1923,1924,
 igr2=1340,1341,
 &end
#
#  104 MET  ME          104 MET  HG-         3.50    (#   1985:20  Unique         2.42, 3.29 A)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1591,1592,1593,
 igr2=1587,1588,
 &end
#
#   22 GLU  HA           22 GLU  HB-         4.50    (#   1986:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 1986, nxpk= 20, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 341, 342,
 &end
#
#   22 GLU  HN           22 GLU  HB-         5.50    (#   1988:20  Unique         2.24, 3.17 A)
 &rst
  ixpk= 1988, nxpk= 20, iat= 337,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 341, 342,
 &end
#
#   62 ARG  HA           62 ARG  HB-         5.50    (#   1992:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1992, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 921, 922,
 &end
#
#   10 PRO  HD-           0 AMB  20-1:1993   3.50    (#   1993:20  Single Ambig)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 142, 143,
 igr2= 123, 124, 123, 124,
 &end
#
#    0 AMB  20-2:1994     0 AMB  20-1:1994   2.80    (#   1994:20  Double Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 126, 127, 126, 127,
 igr2= 123, 124, 123, 124,
 &end
#
#   91 VAL  HN           88 PRO  HB+         5.50    (#   1995:20  Unique         3.07, 4.12 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1340,1341,
 &end
#
#   88 PRO  HA           88 PRO  HB+         4.50    (#   1996:20  Unique         2.29, 2.54 A)
 &rst
  ixpk= 1996, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:1998     0 AMB  20-1:1998   3.50    (#   1998:20  Double Ambig)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1337,1338,1382,
 igr2=1340,1341,1340,1341,
 &end
#
#    0 AMB  20-2:1999     0 AMB  20-1:1999   5.50    (#   1999:20  Double Ambig)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1=1384,1385,1386,1388,1389,1390,1923,1924,
 igr2=1340,1341,1340,1341,
 &end
#
#    0 AMB  20-2:2001    68 VAL  HB          5.50    (#   2001:20  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,1030, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1046, 960, 961,
 &end
#
#    0 AMB  20-2:2002    68 VAL  HB          2.80    (#   2002:20  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 20, iat=  -1,1030, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 240, 241, 242,1032,1033,1034,1036,1037,1038,1032,
      1033,1034,1036,1037,1038,
 &end
#
#   22 GLU  HA           22 GLU  HB+         5.50    (#   2003:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 2003, nxpk= 20, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 341, 342,
 &end
#
#   22 GLU  HG+          22 GLU  HB+         5.50    (#   2004:20  Unique         2.28, 2.73 A)
 &rst
  ixpk= 2004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 344, 345,
 igr2= 341, 342,
 &end
#
#  100 VAL  MGX          62 ARG  HB+         5.50    (#   2006:20  Unique         2.44, 5.01 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:2015     0 AMB  20-1:2015   2.80    (#   2015:20  Double Ambig)
 &rst
  ixpk= 2015, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 614, 675,
 igr2= 611, 612, 672, 673,
 &end
#
#    0 AMB  20-2:2016     0 AMB  20-1:2016   4.50    (#   2016:20  Double Ambig)
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 666, 667, 605, 606,1644,1645,
 igr2= 672, 673, 611, 612,
 &end
#
#    0 AMB  20-2:2023     0 AMB  20-1:2023   4.50    (#   2023:20  Double Ambig)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 679,1394,
 igr2= 672, 673,1382,
 &end
#
#   91 VAL  HN           91 VAL  HB          3.50    (#   2024:20  Unique         2.34, 2.48 A)
 &rst
  ixpk= 2024, nxpk= 20, iat=1378,1382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:2025     0 AMB  20-1:2025   4.50    (#   2025:20  Double Ambig)
 &rst
  ixpk= 2025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 729, 730,1380,
 igr2= 672, 673,1382,
 &end
#
#    0 AMB  20-2:2027    91 VAL  HB          2.80    (#   2027:20  Single Ambig)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,1382, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1384,1385,1386,1388,1389,1390,1407,1408,1409,
 &end
#
#   62 ARG  HN           62 ARG  HB-         5.50    (#   2031:20  Unique         2.36, 2.81 A)
 &rst
  ixpk= 2031, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:2032    62 ARG  HB-         4.50    (#   2032:20  Single Ambig)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 927, 928, 927, 928,
 igr2= 921, 922,
 &end
#
#   62 ARG  HG+          62 ARG  HB-         4.50    (#   2034:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
#   86 PRO  HA           86 PRO  HB-         2.80    (#   2035:20  Unique         2.26, 2.55 A)
 &rst
  ixpk= 2035, nxpk= 20, iat=1305,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1302,1303,
 &end
#
#   39 PRO  HD-          39 PRO  HB+         5.50    (#   2036:20  Unique         2.75, 3.66 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 605, 606,
 igr2= 611, 612,
 &end
#
#   76 VAL  HN           76 VAL  HB          4.50    (#   2042:20  Unique         2.33, 3.34 A)
 &rst
  ixpk= 2042, nxpk= 20, iat=1139,1143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  HN           69 VAL  HB          3.50    (#   2043:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=1042,1046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  MGY          76 VAL  HB          2.80    (#   2044:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   70 GLY  HN           69 VAL  HB          4.50    (#   2045:20  Unique         3.04, 3.36 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=1058,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 GLU  HA           69 VAL  HB          4.50    (#   2046:20  Unique         2.52, 3.14 A)
 &rst
  ixpk= 2046, nxpk= 20, iat=1001,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  HA           69 VAL  HB          4.50    (#   2047:20  Unique         2.33, 2.89 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=1044,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  MGY          69 VAL  HB          3.50    (#   2048:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1,1046, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:2049    69 VAL  HB          3.50    (#   2049:20  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1,1046, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   43 PRO  HA           43 PRO  HB+         3.50    (#   2051:20  Unique         2.31, 2.68 A)
 &rst
  ixpk= 2051, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 672, 673,
 &end
#
#   69 VAL  HN           68 VAL  HB          4.50    (#   2053:20  Unique         2.27, 2.44 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=1042,1030, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 VAL  HN           68 VAL  HB          3.50    (#   2054:20  Unique         2.35, 2.52 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=1026,1030, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HA           68 VAL  HB          4.50    (#   2055:20  Unique         2.58, 3.01 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=1028,1030, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 ARG  HA           62 ARG  HB+         5.50    (#   2056:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 2056, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:2057     0 AMB  20-1:2057   5.50    (#   2057:20  Double Ambig)
 &rst
  ixpk= 2057, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 927, 928, 927, 928,
 igr2= 921, 922, 921, 922,
 &end
#
#   62 ARG  HN           62 ARG  HB+         5.50    (#   2058:20  Unique         2.36, 2.81 A)
 &rst
  ixpk= 2058, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 921, 922,
 &end
#
#   15 GLU  HG-          15 GLU  HB+         5.50    (#   2061:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 2061, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 219, 220,
 igr2= 216, 217,
 &end
#
#   90 GLU  HN           89 VAL  HB          4.50    (#   2069:20  Unique         2.47, 3.10 A)
 &rst
  ixpk= 2069, nxpk= 20, iat=1363,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 VAL  HN           89 VAL  HB          3.50    (#   2070:20  Unique         2.25, 2.41 A)
 &rst
  ixpk= 2070, nxpk= 20, iat=1347,1351, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 VAL  HA           89 VAL  HB          4.50    (#   2071:20  Unique         2.33, 2.84 A)
 &rst
  ixpk= 2071, nxpk= 20, iat=1349,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2072     0 AMB  20-1:2072   2.80    (#   2072:20  Double Ambig)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1353,1354,1355,1357,1358,1359,1524,1525,1526,1528,
      1529,1530,
 igr2=1351,1522,
 &end
#
#   89 VAL  MGY          89 VAL  HB          2.80    (#   2073:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,1351, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   88 PRO  HA           89 VAL  HB          4.50    (#   2074:20  Unique         4.30, 4.47 A)
 &rst
  ixpk= 2074, nxpk= 20, iat=1343,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   87 ARG  HN           86 PRO  HB-         5.50    (#   2075:20  Unique         3.30, 4.33 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1302,1303,
 &end
#
#    0 AMB  20-2:2076    86 PRO  HB-         4.50    (#   2076:20  Single Ambig)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1296,1297,1334,1335,
 igr2=1302,1303,
 &end
#
#    0 AMB  20-2:2077    86 PRO  HB-         5.50    (#   2077:20  Single Ambig)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1=1353,1354,1355,1357,1358,1359,1407,1408,1409,1384,
      1385,1386,1388,1389,1390,
 igr2=1302,1303,
 &end
#
#    0 AMB  20-2:2079     0 AMB  20-1:2079   5.50    (#   2079:20  Double Ambig)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 214,1159,1160,
 igr2= 216, 217, 216, 217,
 &end
#
#   15 GLU  HN           15 GLU  HB+         5.50    (#   2081:20  Unique         2.21, 2.87 A)
 &rst
  ixpk= 2081, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 216, 217,
 &end
#
#   15 GLU  HN           15 GLU  HB-         5.50    (#   2085:20  Unique         2.21, 2.87 A)
 &rst
  ixpk= 2085, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 216, 217,
 &end
#
#    0 AMB  20-2:2086    15 GLU  HB-         5.50    (#   2086:20  Single Ambig)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 214,1159,1160,
 igr2= 216, 217,
 &end
#
#   15 GLU  HG+          15 GLU  HB-         5.50    (#   2088:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 219, 220,
 igr2= 216, 217,
 &end
#
#  101 GLY  HN          100 VAL  HB          5.50    (#   2089:20  Unique         4.16, 4.30 A)
 &rst
  ixpk= 2089, nxpk= 20, iat=1534,1522, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 MET  HN          100 VAL  HB          5.50    (#   2090:20  Unique         4.69, 4.84 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=1501,1522, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  HN          100 VAL  HB          3.50    (#   2091:20  Unique         2.33, 2.41 A)
 &rst
  ixpk= 2091, nxpk= 20, iat=1518,1522, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 VAL  HA          100 VAL  HB          4.50    (#   2092:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 2092, nxpk= 20, iat=1520,1522, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2093     0 AMB  20-1:2093   2.80    (#   2093:20  Double Ambig)
 &rst
  ixpk= 2093, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1353,1354,1355,1357,1358,1359,1524,1525,1526,1528,
      1529,1530,
 igr2=1351,1522,
 &end
#
#  100 VAL  MGY         100 VAL  HB          2.80    (#   2094:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:2095   100 VAL  HB          4.50    (#   2095:20  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
 &end
#
#    9 LYS  HN            8 PRO  HB-         4.50    (#   2099:20  Unique         2.63, 3.22 A)
 &rst
  ixpk= 2099, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 112, 113,
 &end
#
#    8 PRO  HA            8 PRO  HB-         3.50    (#   2100:20  Unique         2.29, 2.51 A)
 &rst
  ixpk= 2100, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 112, 113,
 &end
#
#    8 PRO  HD-           8 PRO  HB-         5.50    (#   2101:20  Unique         2.80, 3.70 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 107,
 igr2= 112, 113,
 &end
#
#    0 AMB  20-2:2102     8 PRO  HB-         5.50    (#   2102:20  Single Ambig)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 426, 427, 106, 107,
 igr2= 112, 113,
 &end
#
#    0 AMB  20-2:2104     8 PRO  HB-         4.50    (#   2104:20  Single Ambig)
 &rst
  ixpk= 2104, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 203, 204, 109, 110,
 igr2= 112, 113,
 &end
#
#    8 PRO  HG-           8 PRO  HB-         5.50    (#   2105:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 109, 110,
 igr2= 112, 113,
 &end
#
#    0 AMB  20-2:2107     8 PRO  HB-         4.50    (#   2107:20  Single Ambig)
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 206, 207, 208, 199, 200, 201,
 igr2= 112, 113,
 &end
#
#    9 LYS  HN            8 PRO  HB+         4.50    (#   2109:20  Unique         2.63, 3.22 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 112, 113,
 &end
#
#   27 TYR  HD            8 PRO  HB+         5.50    (#   2110:20  Unique         2.22, 4.60 A)
 &rst
  ixpk= 2110, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 430, 439,
 igr2= 112, 113,
 &end
#
#    8 PRO  HA            8 PRO  HB+         4.50    (#   2111:20  Unique         2.29, 2.51 A)
 &rst
  ixpk= 2111, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 112, 113,
 &end
#
#    0 AMB  20-2:2112     0 AMB  20-1:2112   4.50    (#   2112:20  Double Ambig)
 &rst
  ixpk= 2112, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 426, 427, 106, 107,
 igr2= 112, 113, 112, 113,
 &end
#
#    0 AMB  20-2:2114     0 AMB  20-1:2114   4.50    (#   2114:20  Double Ambig)
 &rst
  ixpk= 2114, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 203, 204, 109, 110,
 igr2= 112, 113, 112, 113,
 &end
#
#    0 AMB  20-2:2115     0 AMB  20-1:2115   4.50    (#   2115:20  Double Ambig)
 &rst
  ixpk= 2115, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 206, 207, 208, 199, 200, 201,
 igr2= 112, 113, 112, 113,
 &end
#
#    8 PRO  HD-           8 PRO  HB+         7.00    (#   2116:20  Unique         2.80, 3.70 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 106, 107,
 igr2= 112, 113,
 &end
#
#    8 PRO  HG-           8 PRO  HB+         4.50    (#   2117:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110,
 igr2= 112, 113,
 &end
#
#    0 AMB  20-2:2123     0 AMB  20-1:2123   5.50    (#   2123:20  Double Ambig)
 &rst
  ixpk= 2123, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1173,1174,1229,1230,
 igr2=1313,1314,1313,1314,
 &end
#
#  101 GLY  HN           60 VAL  HB          4.50    (#   2130:20  Unique         2.67, 2.81 A)
 &rst
  ixpk= 2130, nxpk= 20, iat=1534, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 VAL  HN           60 VAL  HB          4.50    (#   2131:20  Unique         2.42, 2.50 A)
 &rst
  ixpk= 2131, nxpk= 20, iat= 879, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLN  HN           60 VAL  HB          4.50    (#   2132:20  Unique         2.82, 2.92 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=1541, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HA           60 VAL  HB          4.50    (#   2133:20  Unique         2.21, 2.32 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=1520, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 VAL  MGX          60 VAL  HB          3.50    (#   2134:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   60 VAL  MGY          60 VAL  HB          3.50    (#   2135:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#  117 VAL  MGY         117 VAL  HB          3.50    (#   2136:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,1802, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  MGX         117 VAL  HB          3.50    (#   2137:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1,1802, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HA          117 VAL  HB          4.50    (#   2138:20  Unique         2.39, 2.49 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=1800,1802, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2140     0 AMB  20-1:2140   3.50    (#   2140:20  Double Ambig)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 631,1699,
 igr2= 633, 634,1701,1702,
 &end
#
#   41 GLU  HG+          41 GLU  HB+         2.80    (#   2141:20  Unique         2.18, 2.66 A)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 636, 637,
 igr2= 633, 634,
 &end
#
#    0 AMB  20-2:2143     0 AMB  20-1:2143   4.50    (#   2143:20  Double Ambig)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 631,1699,
 igr2= 633, 634,1701,1702,
 &end
#
#   41 GLU  HG+          41 GLU  HB-         2.80    (#   2144:20  Unique         2.18, 2.66 A)
 &rst
  ixpk= 2144, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 636, 637,
 igr2= 633, 634,
 &end
#
#    0 AMB  20-2:2146    87 ARG  HB-         5.50    (#   2146:20  Single Ambig)
 &rst
  ixpk= 2146, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1296,1297,1185,
 igr2=1313,1314,
 &end
#
#    0 AMB  20-2:2148    87 ARG  HB-         7.00    (#   2148:20  Single Ambig)
 &rst
  ixpk= 2148, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1173,1174,1229,1230,
 igr2=1313,1314,
 &end
#
#    0 AMB  20-2:2149     0 AMB  20-1:2149   5.50    (#   2149:20  Double Ambig)
 &rst
  ixpk= 2149, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1296,1297,1185,
 igr2=1313,1314,1313,1314,
 &end
#
#   89 VAL  HA           87 ARG  HB+         7.00    (#   2150:20  Unique         4.23, 5.87 A)
 &rst
  ixpk= 2150, nxpk= 20, iat=1349,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1313,1314,
 &end
#
#  116 PHE  HN          115 HIS  HB-         4.50    (#   2155:20  Unique         2.55, 3.32 A)
 &rst
  ixpk= 2155, nxpk= 20, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1765,1766,
 &end
#
#  115 HIS  HN          115 HIS  HB-         4.50    (#   2156:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 2156, nxpk= 20, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1765,1766,
 &end
#
#  115 HIS  HN          114 GLU  HB-         7.00    (#   2158:20  Unique         2.55, 3.22 A)
 &rst
  ixpk= 2158, nxpk= 20, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1750,1751,
 &end
#
#   99 MET  HA           98 GLU  HB-         7.00    (#   2165:20  Unique         4.31, 4.52 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1490,1491,
 &end
#
#    6 GLN  HG+           6 GLN  HB-         2.80    (#   2166:20  Unique         2.24, 2.75 A)
 &rst
  ixpk= 2166, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  80,  81,
 igr2=  77,  78,
 &end
#
#    7 GLU  HA            7 GLU  HB-         4.50    (#   2168:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 2168, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  94,  95,
 &end
#
#    6 GLN  HA            6 GLN  HB-         3.50    (#   2169:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 2169, nxpk= 20, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  77,  78,
 &end
#
#    8 PRO  HD-           7 GLU  HB-         4.50    (#   2170:20  Unique         4.05, 4.66 A)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  94,  95,
 &end
#
#    8 PRO  HD+           7 GLU  HB-         4.50    (#   2171:20  Unique         4.05, 4.66 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  94,  95,
 &end
#
#    0 AMB  20-2:2172     7 GLU  HB-         2.80    (#   2172:20  Single Ambig)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=  97,  98, 129, 130,
 igr2=  94,  95,
 &end
#
#    8 PRO  HD-           0 AMB  20-1:2174   5.50    (#   2174:20  Single Ambig)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 106, 107,
 igr2=  94,  95,  77,  78,
 &end
#
#    7 GLU  HN            0 AMB  20-1:2175   5.50    (#   2175:20  Single Ambig)
 &rst
  ixpk= 2175, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  77,  78,  94,  95,
 &end
#
#    7 GLU  HA            7 GLU  HB+         4.50    (#   2177:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  94,  95,
 &end
#
#    6 GLN  HA            6 GLN  HB+         3.50    (#   2178:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  77,  78,
 &end
#
#    0 AMB  20-2:2179     0 AMB  20-1:2179   2.80    (#   2179:20  Double Ambig)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=  97,  98, 129, 130,
 igr2=  94,  95,  94,  95,
 &end
#
#    6 GLN  HG+           6 GLN  HB+         2.80    (#   2180:20  Unique         2.24, 2.75 A)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  80,  81,
 igr2=  77,  78,
 &end
#
#  114 GLU  HA          114 GLU  HB-         4.50    (#   2181:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1750,1751,
 &end
#
#  114 GLU  HG-         114 GLU  HB-         5.50    (#   2182:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1753,1754,
 igr2=1750,1751,
 &end
#
#  114 GLU  HN          114 GLU  HB-         5.50    (#   2183:20  Unique         2.37, 3.01 A)
 &rst
  ixpk= 2183, nxpk= 20, iat=1746,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1750,1751,
 &end
#
#  114 GLU  HG+         114 GLU  HB-         4.50    (#   2185:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1753,1754,
 igr2=1750,1751,
 &end
#
#  114 GLU  HG-         114 GLU  HB-         5.50    (#   2186:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1753,1754,
 igr2=1750,1751,
 &end
#
#  114 GLU  HA          114 GLU  HB+         5.50    (#   2188:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 2188, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1750,1751,
 &end
#
#    0 AMB  20-2:2191     0 AMB  20-1:2191   5.50    (#   2191:20  Double Ambig)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1407,1408,1409, 183, 184, 185, 187, 188, 189,
 igr2=1868,1869,1868,1869,
 &end
#
#  114 GLU  HN          114 GLU  HB+         5.50    (#   2192:20  Unique         2.37, 3.01 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=1746,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1750,1751,
 &end
#
#   18 ARG  HA           18 ARG  HB+         4.50    (#   2193:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 2193, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 270, 271,
 &end
#
#   18 ARG  HG-          18 ARG  HB+         5.50    (#   2194:20  Unique         2.24, 2.71 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 273, 274,
 igr2= 270, 271,
 &end
#
#   83 GLU  HN           82 HIS  HB+         5.50    (#   2204:20  Unique         2.93, 3.68 A)
 &rst
  ixpk= 2204, nxpk= 20, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1229,1230,
 &end
#
#   82 HIS  HA           82 HIS  HB+         2.80    (#   2206:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 2206, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1229,1230,
 &end
#
#    0 AMB  20-2:2207     0 AMB  20-1:2207   5.50    (#   2207:20  Double Ambig)
 &rst
  ixpk= 2207, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1249,1250,1313,1314,
 igr2=1229,1230,1229,1230,
 &end
#
#   83 GLU  HN           82 HIS  HB-         5.50    (#   2209:20  Unique         2.93, 3.68 A)
 &rst
  ixpk= 2209, nxpk= 20, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1229,1230,
 &end
#
#   77 ASN  HD2-         82 HIS  HB-         7.00    (#   2210:20  Unique         5.49, 8.74 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1164,1165,
 igr2=1229,1230,
 &end
#
#   82 HIS  HA           82 HIS  HB-         2.80    (#   2212:20  Unique         2.42, 2.78 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1229,1230,
 &end
#
#    0 AMB  20-2:2213    82 HIS  HB-         7.00    (#   2213:20  Single Ambig)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1249,1250,1313,1314,
 igr2=1229,1230,
 &end
#
#   98 GLU  HN           98 GLU  HB-         2.80    (#   2240:20  Unique         2.25, 2.94 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1490,1491,
 &end
#
#   98 GLU  HG+          98 GLU  HB-         2.80    (#   2242:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1493,1494,
 igr2=1490,1491,
 &end
#
#   99 MET  HN           98 GLU  HB-         4.50    (#   2243:20  Unique         2.81, 3.27 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1490,1491,
 &end
#
#   98 GLU  HA           98 GLU  HB-         2.80    (#   2244:20  Unique         2.58, 2.82 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1490,1491,
 &end
#
#    7 GLU  HN            0 AMB  20-1:2246   5.50    (#   2246:20  Single Ambig)
 &rst
  ixpk= 2246, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  77,  78,  94,  95,
 &end
#
#    0 AMB  20-2:2247     0 AMB  20-1:2247   4.50    (#   2247:20  Double Ambig)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 106, 107,1125,1126, 106, 107,
 igr2=  94,  95,  77,  78,  77,  78,
 &end
#
#   97 LYS  HN           97 LYS  HD+         4.50    (#   2250:20  Unique         3.76, 4.71 A)
 &rst
  ixpk= 2250, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1474,1475,
 &end
#
#   97 LYS  HA           97 LYS  HD+         4.50    (#   2253:20  Unique         4.33, 4.54 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1474,1475,
 &end
#
#   97 LYS  HE-          97 LYS  HD+         3.50    (#   2254:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 2254, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1477,1478,
 igr2=1474,1475,
 &end
#
#   97 LYS  HE+          97 LYS  HD+         3.50    (#   2255:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1477,1478,
 igr2=1474,1475,
 &end
#
#   97 LYS  HB-          97 LYS  HD+         2.80    (#   2257:20  Unique         2.46, 3.24 A)
 &rst
  ixpk= 2257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1468,1469,
 igr2=1474,1475,
 &end
#
#   97 LYS  HG-          97 LYS  HD+         2.80    (#   2258:20  Unique         2.31, 2.63 A)
 &rst
  ixpk= 2258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1471,1472,
 igr2=1474,1475,
 &end
#
#   93 ILE  QG2          97 LYS  HD+         4.50    (#   2259:20  Unique         2.54, 4.80 A)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1419,1420,1421,
 igr2=1474,1475,
 &end
#
#   28 ILE  QD1          97 LYS  HD+         5.50    (#   2260:20  Unique         3.22, 4.99 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 456, 457, 458,
 igr2=1474,1475,
 &end
#
#   85 GLN  HA           85 GLN  HB+         3.50    (#   2269:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1282,1283,
 &end
#
#   86 PRO  HD-          85 GLN  HB+         4.50    (#   2270:20  Unique         2.01, 3.79 A)
 &rst
  ixpk= 2270, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1296,1297,
 igr2=1282,1283,
 &end
#
#   67 ASP  HN           64 ARG  HB+         5.50    (#   2272:20  Unique         2.42, 2.88 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   64 ARG  HN           64 ARG  HB+         5.50    (#   2273:20  Unique         2.24, 3.00 A)
 &rst
  ixpk= 2273, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   64 ARG  HA           64 ARG  HB+         5.50    (#   2274:20  Unique         2.41, 2.80 A)
 &rst
  ixpk= 2274, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   67 ASP  HN           64 ARG  HB-         5.50    (#   2275:20  Unique         2.42, 2.88 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   61 LYS  HA           61 LYS  HD+         4.50    (#   2277:20  Unique         2.98, 4.63 A)
 &rst
  ixpk= 2277, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 905, 906,
 &end
#
#   61 LYS  HE+          61 LYS  HD+         3.50    (#   2278:20  Unique         2.23, 2.66 A)
 &rst
  ixpk= 2278, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 908, 909,
 igr2= 905, 906,
 &end
#
#   61 LYS  HG-          61 LYS  HD+         2.80    (#   2279:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 2279, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 902, 903,
 igr2= 905, 906,
 &end
#
#   37 ALA  MB           61 LYS  HD+         3.50    (#   2282:20  Unique         2.22, 3.75 A)
 &rst
  ixpk= 2282, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 584, 585, 586,
 igr2= 905, 906,
 &end
#
#   73 CYS  HN           72 CYS  HB-         4.50    (#   2284:20  Unique         2.28, 3.70 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=1083,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1076,1077,
 &end
#
#   72 CYS  HN           72 CYS  HB-         5.50    (#   2285:20  Unique         2.41, 3.18 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1076,1077,
 &end
#
#   18 ARG  HA           72 CYS  HB-         4.50    (#   2286:20  Unique         2.25, 4.01 A)
 &rst
  ixpk= 2286, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1076,1077,
 &end
#
#   72 CYS  HA           72 CYS  HB-         4.50    (#   2287:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=1074,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1076,1077,
 &end
#
#   16 ILE  QG2          72 CYS  HB-         4.50    (#   2289:20  Unique         2.10, 2.90 A)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 233, 234, 235,
 igr2=1076,1077,
 &end
#
#   73 CYS  HN           72 CYS  HB+         7.00    (#   2292:20  Unique         2.28, 3.70 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=1083,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1076,1077,
 &end
#
#   72 CYS  HN           72 CYS  HB+         4.50    (#   2293:20  Unique         2.41, 3.18 A)
 &rst
  ixpk= 2293, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1076,1077,
 &end
#
#   16 ILE  QG2          72 CYS  HB+         4.50    (#   2297:20  Unique         2.10, 2.90 A)
 &rst
  ixpk= 2297, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 233, 234, 235,
 igr2=1076,1077,
 &end
#
#   69 VAL  MGY          72 CYS  HB+         5.50    (#   2298:20  Unique         4.02, 6.67 A)
 &rst
  ixpk= 2298, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1048,1049,1050,1052,1053,1054,
 igr2=1076,1077,
 &end
#
#   85 GLN  HN           85 GLN  HB+         2.80    (#   2300:20  Unique         2.05, 3.21 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=1278,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1282,1283,
 &end
#
#   85 GLN  HG+          85 GLN  HB+         2.80    (#   2304:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 2304, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1285,1286,
 igr2=1282,1283,
 &end
#
#    0 AMB  20-2:2306     0 AMB  20-1:2306   3.50    (#   2306:20  Double Ambig)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1313,1314,1920,1921,
 igr2=1282,1283,1282,1283,
 &end
#
#    0 AMB  20-2:2308    66 GLU  HB-         7.00    (#   2308:20  Single Ambig)
 &rst
  ixpk= 2308, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
       994, 995,
 igr2=1003,1004,
 &end
#
#   64 ARG  HG-          64 ARG  HB+         3.50    (#   2309:20  Unique         2.28, 2.74 A)
 &rst
  ixpk= 2309, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 963, 964,
 igr2= 960, 961,
 &end
#
#   64 ARG  HA           64 ARG  HB-         5.50    (#   2310:20  Unique         2.41, 2.80 A)
 &rst
  ixpk= 2310, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   62 ARG  HA           34 ILE  HG1+        5.50    (#   2311:20  Unique         2.13, 2.61 A)
 &rst
  ixpk= 2311, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 535, 536,
 &end
#
#   57 SER  HA          105 LYS  HD-         3.50    (#   2312:20  Unique         2.35, 4.05 A)
 &rst
  ixpk= 2312, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1607,1608,
 &end
#
#    0 AMB  20-2:2314     0 AMB  20-1:2314   7.00    (#   2314:20  Double Ambig)
 &rst
  ixpk= 2314, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 525, 544,
 igr2= 535, 536, 535, 536,
 &end
#
#    0 AMB  20-2:2315   105 LYS  HD-         5.50    (#   2315:20  Single Ambig)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1640,1597,
 igr2=1607,1608,
 &end
#
#   34 ILE  HA           34 ILE  HG1+        5.50    (#   2316:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 2316, nxpk= 20, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 535, 536,
 &end
#
#  105 LYS  HA          105 LYS  HD-         4.50    (#   2317:20  Unique         2.16, 2.95 A)
 &rst
  ixpk= 2317, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1607,1608,
 &end
#
#    0 AMB  20-2:2318     0 AMB  20-1:2318   5.50    (#   2318:20  Double Ambig)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1456, 958,
 igr2= 535, 536, 535, 536,
 &end
#
#  105 LYS  HE+         105 LYS  HD-         2.80    (#   2319:20  Unique         2.30, 2.69 A)
 &rst
  ixpk= 2319, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1610,1611,
 igr2=1607,1608,
 &end
#
#    0 AMB  20-2:2322     0 AMB  20-1:2322   2.80    (#   2322:20  Double Ambig)
 &rst
  ixpk= 2322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1604,1605, 924, 925, 529,
 igr2=1607,1608, 535, 536, 535, 536,
 &end
#
#   34 ILE  QG2          34 ILE  HG1+        3.50    (#   2324:20  Unique         2.50, 3.54 A)
 &rst
  ixpk= 2324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 531, 532, 533,
 igr2= 535, 536,
 &end
#
#    0 AMB  20-2:2325     0 AMB  20-1:2325   3.50    (#   2325:20  Double Ambig)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 538, 539, 540, 449, 450, 451,
 igr2= 535, 536, 535, 536,
 &end
#
#   28 ILE  QD1          34 ILE  HG1+        4.50    (#   2326:20  Unique         2.35, 3.93 A)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 456, 457, 458,
 igr2= 535, 536,
 &end
#
#    0 AMB  20-2:2330     0 AMB  20-1:2330   5.50    (#   2330:20  Double Ambig)
 &rst
  ixpk= 2330, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 582, 801,
 igr2= 905, 906, 905, 906, 905, 906,
 &end
#
#   59 GLU  HB+          61 LYS  HD-         2.80    (#   2331:20  Unique         2.43, 4.04 A)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 868, 869,
 igr2= 905, 906,
 &end
#
#    0 AMB  20-2:2332    34 ILE  HG1-        7.00    (#   2332:20  Single Ambig)
 &rst
  ixpk= 2332, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 525, 544,
 igr2= 535, 536,
 &end
#
#   62 ARG  HA           34 ILE  HG1-        5.50    (#   2333:20  Unique         2.13, 2.61 A)
 &rst
  ixpk= 2333, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 535, 536,
 &end
#
#   34 ILE  HA           34 ILE  HG1-        4.50    (#   2334:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 2334, nxpk= 20, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 535, 536,
 &end
#
#   34 ILE  QG2          34 ILE  HG1-        3.50    (#   2336:20  Unique         2.50, 3.54 A)
 &rst
  ixpk= 2336, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 531, 532, 533,
 igr2= 535, 536,
 &end
#
#    0 AMB  20-2:2337    34 ILE  HG1-        3.50    (#   2337:20  Single Ambig)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 538, 539, 540, 449, 450, 451,
 igr2= 535, 536,
 &end
#
#   72 CYS  HA           72 CYS  HB+         5.50    (#   2344:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2344, nxpk= 20, iat=1074,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1076,1077,
 &end
#
#  102 GLN  HN          102 GLN  HB-         3.50    (#   2349:20  Unique         2.37, 3.19 A)
 &rst
  ixpk= 2349, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1545,1546,
 &end
#
#  102 GLN  HA          102 GLN  HB-         3.50    (#   2350:20  Unique         2.28, 2.66 A)
 &rst
  ixpk= 2350, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1545,1546,
 &end
#
#   60 VAL  MGY         102 GLN  HB-         4.50    (#   2352:20  Unique         2.46, 5.75 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1545,1546,
 &end
#
#   91 VAL  HA           90 GLU  HB-         5.50    (#   2353:20  Unique         4.11, 4.68 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1367,1368,
 &end
#
#   66 GLU  HN           66 GLU  HB-         3.50    (#   2354:20  Unique         2.43, 3.08 A)
 &rst
  ixpk= 2354, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1003,1004,
 &end
#
#    0 AMB  20-2:2355    66 GLU  HB-         7.00    (#   2355:20  Single Ambig)
 &rst
  ixpk= 2355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1058,1026,
 igr2=1003,1004,
 &end
#
#   67 ASP  HN           66 GLU  HB-         4.50    (#   2356:20  Unique         3.91, 4.26 A)
 &rst
  ixpk= 2356, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1003,1004,
 &end
#
#   66 GLU  HA           66 GLU  HB-         3.50    (#   2357:20  Unique         2.34, 2.45 A)
 &rst
  ixpk= 2357, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1003,1004,
 &end
#
#   66 GLU  HG+          66 GLU  HB-         2.80    (#   2358:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1006,1007,
 igr2=1003,1004,
 &end
#
#    0 AMB  20-2:2359    66 GLU  HB-         4.50    (#   2359:20  Single Ambig)
 &rst
  ixpk= 2359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2=1003,1004,
 &end
#
#    9 LYS  HN            9 LYS  HD+         4.50    (#   2361:20  Unique         2.32, 3.68 A)
 &rst
  ixpk= 2361, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 129, 130,
 &end
#
#    9 LYS  HA            9 LYS  HD+         4.50    (#   2362:20  Unique         2.66, 3.65 A)
 &rst
  ixpk= 2362, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 129, 130,
 &end
#
#    9 LYS  HE+           9 LYS  HD+         2.80    (#   2363:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 132, 133,
 igr2= 129, 130,
 &end
#
#    9 LYS  HG+           9 LYS  HD+         2.80    (#   2364:20  Unique         2.39, 2.71 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 126, 127,
 igr2= 129, 130,
 &end
#
#    0 AMB  20-2:2365     0 AMB  20-1:2365   4.50    (#   2365:20  Double Ambig)
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1580, 854, 879,
 igr2=1568,1569,1568,1569,1568,1569,
 &end
#
#  103 LYS  HN          103 LYS  HD+         4.50    (#   2366:20  Unique         4.19, 4.97 A)
 &rst
  ixpk= 2366, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#  103 LYS  HE+         103 LYS  HD+         3.50    (#   2367:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 2367, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1571,1572,
 igr2=1568,1569,
 &end
#
#  103 LYS  HA          103 LYS  HD+         4.50    (#   2368:20  Unique         2.30, 4.44 A)
 &rst
  ixpk= 2368, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#   59 GLU  HA          103 LYS  HD+         5.50    (#   2369:20  Unique         2.77, 5.59 A)
 &rst
  ixpk= 2369, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1568,1569,
 &end
#
#  103 LYS  HG+         103 LYS  HD+         2.80    (#   2370:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 2370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1565,1566,
 igr2=1568,1569,
 &end
#
#  124 LYS  HA          124 LYS  HD+         4.50    (#   2372:20  Unique         2.15, 3.00 A)
 &rst
  ixpk= 2372, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1926,1927,
 &end
#
#  124 LYS  HE+         124 LYS  HD+         3.50    (#   2373:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1929,1930,
 igr2=1926,1927,
 &end
#
#  124 LYS  HG-         124 LYS  HD+         2.80    (#   2374:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1923,1924,
 igr2=1926,1927,
 &end
#
#  124 LYS  HB-         124 LYS  HD+         3.50    (#   2375:20  Unique         2.44, 3.46 A)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1920,1921,
 igr2=1926,1927,
 &end
#
#    9 LYS  HA            9 LYS  HD-         5.50    (#   2381:20  Unique         2.66, 3.65 A)
 &rst
  ixpk= 2381, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 129, 130,
 &end
#
#   10 PRO  HD+           9 LYS  HD-         4.50    (#   2382:20  Unique         4.34, 5.53 A)
 &rst
  ixpk= 2382, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 142, 143,
 igr2= 129, 130,
 &end
#
#   10 PRO  HD-           9 LYS  HD-         4.50    (#   2383:20  Unique         4.34, 5.53 A)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 142, 143,
 igr2= 129, 130,
 &end
#
#    7 GLU  HB+           9 LYS  HD-         3.50    (#   2385:20  Unique         3.12, 4.86 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  94,  95,
 igr2= 129, 130,
 &end
#
#    0 AMB  20-2:2387    90 GLU  HB-         5.50    (#   2387:20  Single Ambig)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1384,1385,1386,1388,1389,1390,1353,1354,1355,1357,
      1358,1359,
 igr2=1367,1368,
 &end
#
#   90 GLU  HN           90 GLU  HB-         3.50    (#   2388:20  Unique         2.44, 3.10 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1367,1368,
 &end
#
#   91 VAL  HN           90 GLU  HB-         4.50    (#   2389:20  Unique         2.73, 3.57 A)
 &rst
  ixpk= 2389, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1367,1368,
 &end
#
#   90 GLU  HA           90 GLU  HB-         2.80    (#   2390:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 2390, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1367,1368,
 &end
#
#   90 GLU  HG+          90 GLU  HB-         2.80    (#   2391:20  Unique         2.24, 2.72 A)
 &rst
  ixpk= 2391, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1370,1371,
 igr2=1367,1368,
 &end
#
#   91 VAL  MGX          90 GLU  HB-         5.50    (#   2392:20  Unique         3.06, 6.12 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1367,1368,
 &end
#
#   10 PRO  HD+           9 LYS  HD+         4.50    (#   2393:20  Unique         4.34, 5.53 A)
 &rst
  ixpk= 2393, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 142, 143,
 igr2= 129, 130,
 &end
#
#   10 PRO  HD-           9 LYS  HD+         4.50    (#   2394:20  Unique         4.34, 5.53 A)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 142, 143,
 igr2= 129, 130,
 &end
#
#    6 GLN  HG+           9 LYS  HD+         7.00    (#   2396:20  Unique         5.73, 6.89 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=  80,  81,
 igr2= 129, 130,
 &end
#
#    0 AMB  20-2:2397     0 AMB  20-1:2397   4.50    (#   2397:20  Double Ambig)
 &rst
  ixpk= 2397, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1343,1311,
 igr2=1337,1338,1337,1338,
 &end
#
#   88 PRO  HD+          88 PRO  HG+         4.50    (#   2398:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   88 PRO  HD-          88 PRO  HG+         4.50    (#   2399:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 2399, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   88 PRO  HB-          88 PRO  HG+         4.50    (#   2400:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#    0 AMB  20-2:2402     0 AMB  20-1:2402   4.50    (#   2402:20  Double Ambig)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1=1923,1924,1384,1385,1386,1388,1389,1390,
 igr2=1337,1338,1337,1338,
 &end
#
#   88 PRO  HA           88 PRO  HG-         4.50    (#   2403:20  Unique         2.91, 3.92 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1337,1338,
 &end
#
#   88 PRO  HD-          88 PRO  HG-         4.50    (#   2404:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#    0 AMB  20-2:2405    88 PRO  HG-         5.50    (#   2405:20  Single Ambig)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1923,1924,1384,1385,1386,1388,1389,1390,
 igr2=1337,1338,
 &end
#
#    0 AMB  20-2:2407     0 AMB  20-1:2407   3.50    (#   2407:20  Double Ambig)
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1417,1398,
 igr2=1423,1424,1423,1424,
 &end
#
#  121 ARG  HA          121 ARG  HG+         4.50    (#   2408:20  Unique         2.46, 3.53 A)
 &rst
  ixpk= 2408, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1871,1872,
 &end
#
#    0 AMB  20-2:2411     0 AMB  20-1:2411   3.50    (#   2411:20  Double Ambig)
 &rst
  ixpk= 2411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1871,1872,1871,1872,
 &end
#
#    0 AMB  20-2:2418   121 ARG  HG-         5.50    (#   2418:20  Single Ambig)
 &rst
  ixpk= 2418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1868,1869,1820,1821,1822,
 igr2=1871,1872,
 &end
#
#   73 CYS  HN           73 CYS  HB+         3.50    (#   2419:20  Unique         2.40, 3.06 A)
 &rst
  ixpk= 2419, nxpk= 20, iat=1083,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1087,1088,
 &end
#
#   74 TYR  HN           73 CYS  HB+         4.50    (#   2420:20  Unique         2.56, 3.29 A)
 &rst
  ixpk= 2420, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1087,1088,
 &end
#
#   73 CYS  HA           73 CYS  HB+         3.50    (#   2421:20  Unique         2.44, 2.76 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=1085,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1087,1088,
 &end
#
#   17 PHE  HB-          73 CYS  HB+         2.80    (#   2422:20  Unique         2.12, 3.77 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 250, 251,
 igr2=1087,1088,
 &end
#
#   93 ILE  HN           93 ILE  HG1+        4.50    (#   2427:20  Unique         2.10, 2.94 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1424,
 &end
#
#   93 ILE  HA           93 ILE  HG1+        4.50    (#   2428:20  Unique         2.46, 3.05 A)
 &rst
  ixpk= 2428, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1424,
 &end
#
#    0 AMB  20-2:2430     0 AMB  20-1:2430   3.50    (#   2430:20  Double Ambig)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1419,1420,1421,1353,1354,1355,1357,1358,1359,
 igr2=1423,1424,1423,1424,
 &end
#
#    0 AMB  20-2:2431     0 AMB  20-1:2431   2.80    (#   2431:20  Double Ambig)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 449, 450, 451,1426,1427,1428,
 igr2=1423,1424,1423,1424,
 &end
#
#   13 LEU  MDX         121 ARG  HG+         4.50    (#   2435:20  Unique         2.98, 6.57 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2=1871,1872,
 &end
#
#   93 ILE  HA           93 ILE  HG1-        4.50    (#   2436:20  Unique         2.46, 3.05 A)
 &rst
  ixpk= 2436, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1424,
 &end
#
#    0 AMB  20-2:2437    93 ILE  HG1-        3.50    (#   2437:20  Single Ambig)
 &rst
  ixpk= 2437, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1419,1420,1421,1353,1354,1355,1357,1358,1359,
 igr2=1423,1424,
 &end
#
#    0 AMB  20-2:2438    93 ILE  HG1-        2.80    (#   2438:20  Single Ambig)
 &rst
  ixpk= 2438, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 449, 450, 451,1426,1427,1428,
 igr2=1423,1424,
 &end
#
#   93 ILE  HN           93 ILE  HG1-        4.50    (#   2439:20  Unique         2.10, 2.94 A)
 &rst
  ixpk= 2439, nxpk= 20, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1424,
 &end
#
#    0 AMB  20-2:2440    93 ILE  HG1-        4.50    (#   2440:20  Single Ambig)
 &rst
  ixpk= 2440, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1417,1398,
 igr2=1423,1424,
 &end
#
#   17 PHE  HD           73 CYS  HB+         5.50    (#   2444:20  Unique         2.30, 5.15 A)
 &rst
  ixpk= 2444, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 254, 262,
 igr2=1087,1088,
 &end
#
#   64 ARG  HN           64 ARG  HG+         4.50    (#   2445:20  Unique         2.32, 3.33 A)
 &rst
  ixpk= 2445, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 963, 964,
 &end
#
#   32 TYR  HD           64 ARG  HG+         5.50    (#   2446:20  Unique         3.24, 5.19 A)
 &rst
  ixpk= 2446, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 496, 505,
 igr2= 963, 964,
 &end
#
#   63 GLU  HA           64 ARG  HG+         5.50    (#   2448:20  Unique         3.65, 4.79 A)
 &rst
  ixpk= 2448, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 963, 964,
 &end
#
#   18 ARG  HA           18 ARG  HG+         3.50    (#   2449:20  Unique         2.21, 2.94 A)
 &rst
  ixpk= 2449, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 273, 274,
 &end
#
#   18 ARG  HD-          18 ARG  HG+         5.50    (#   2450:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 276, 277,
 igr2= 273, 274,
 &end
#
#    0 AMB  20-2:2453     0 AMB  20-1:2453   4.50    (#   2453:20  Double Ambig)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 270, 271, 233, 234, 235,
 igr2= 273, 274, 273, 274,
 &end
#
#   16 ILE  HN           16 ILE  HG1+        5.50    (#   2454:20  Unique         2.59, 3.36 A)
 &rst
  ixpk= 2454, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 237, 238,
 &end
#
#    0 AMB  20-2:2455     0 AMB  20-1:2455   5.50    (#   2455:20  Double Ambig)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1098,1099,1098,1099,
 igr2= 237, 238, 237, 238,
 &end
#
#   18 ARG  HA           18 ARG  HG-         3.50    (#   2458:20  Unique         2.21, 2.94 A)
 &rst
  ixpk= 2458, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 273, 274,
 &end
#
#   18 ARG  HD-          18 ARG  HG-         7.00    (#   2459:20  Unique         2.24, 2.65 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 276, 277,
 igr2= 273, 274,
 &end
#
#    0 AMB  20-2:2460     0 AMB  20-1:2460   7.00    (#   2460:20  Double Ambig)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 941, 352,
 igr2= 924, 925, 273, 274,
 &end
#
#   64 ARG  HN           64 ARG  HG-         4.50    (#   2461:20  Unique         2.32, 3.33 A)
 &rst
  ixpk= 2461, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 963, 964,
 &end
#
#   64 ARG  HD-          64 ARG  HG-         4.50    (#   2462:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 966, 967,
 igr2= 963, 964,
 &end
#
#   32 TYR  HD           64 ARG  HG-         5.50    (#   2464:20  Unique         3.24, 5.19 A)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 496, 505,
 igr2= 963, 964,
 &end
#
#   63 GLU  HA           64 ARG  HG-         7.00    (#   2465:20  Unique         3.65, 4.79 A)
 &rst
  ixpk= 2465, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 963, 964,
 &end
#
#   64 ARG  HA           64 ARG  HG-         4.50    (#   2466:20  Unique         2.31, 2.83 A)
 &rst
  ixpk= 2466, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 963, 964,
 &end
#
#   64 ARG  HD+          64 ARG  HG-         4.50    (#   2467:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 966, 967,
 igr2= 963, 964,
 &end
#
#   16 ILE  QG2          16 ILE  HG1-        4.50    (#   2469:20  Unique         2.47, 3.58 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 233, 234, 235,
 igr2= 237, 238,
 &end
#
#  116 PHE  HA          119 GLN  HB-         4.50    (#   2472:20  Unique         2.19, 3.71 A)
 &rst
  ixpk= 2472, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1832,1833,
 &end
#
#    0 AMB  20-2:2473     0 AMB  20-1:2473   2.80    (#   2473:20  Double Ambig)
 &rst
  ixpk= 2473, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1334,1335,1830,1296,1297,
 igr2=1299,1300,1832,1833,1299,1300,
 &end
#
#  119 GLN  HN          119 GLN  HB-         3.50    (#   2474:20  Unique         1.95, 2.97 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=1828,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1832,1833,
 &end
#
#  120 LEU  HN          119 GLN  HB-         5.50    (#   2475:20  Unique         2.78, 3.46 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1832,1833,
 &end
#
#  119 GLN  HN          119 GLN  HB+         4.50    (#   2476:20  Unique         1.95, 2.97 A)
 &rst
  ixpk= 2476, nxpk= 20, iat=1828,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1832,1833,
 &end
#
#  120 LEU  HN          119 GLN  HB+         4.50    (#   2477:20  Unique         2.78, 3.46 A)
 &rst
  ixpk= 2477, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1832,1833,
 &end
#
#  119 GLN  HA          119 GLN  HB+         3.50    (#   2478:20  Unique         2.30, 2.74 A)
 &rst
  ixpk= 2478, nxpk= 20, iat=1830,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1832,1833,
 &end
#
#   64 ARG  HA           64 ARG  HG+         4.50    (#   2481:20  Unique         2.31, 2.83 A)
 &rst
  ixpk= 2481, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 963, 964,
 &end
#
#   64 ARG  HD-          64 ARG  HG+         4.50    (#   2482:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 966, 967,
 igr2= 963, 964,
 &end
#
#    0 AMB  20-2:2484    62 ARG  HG-         4.50    (#   2484:20  Single Ambig)
 &rst
  ixpk= 2484, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 927, 928, 927, 928, 492, 493,
 igr2= 924, 925,
 &end
#
#   62 ARG  HA           62 ARG  HG-         5.50    (#   2485:20  Unique         2.46, 2.92 A)
 &rst
  ixpk= 2485, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 924, 925,
 &end
#
#   62 ARG  HB-          62 ARG  HG-         7.00    (#   2486:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 2486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 921, 922,
 igr2= 924, 925,
 &end
#
#    0 AMB  20-2:2488     0 AMB  20-1:2488   3.50    (#   2488:20  Double Ambig)
 &rst
  ixpk= 2488, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 927, 928, 927, 928, 492, 493,
 igr2= 924, 925, 924, 925, 924, 925,
 &end
#
#   62 ARG  HA           62 ARG  HG+         5.50    (#   2489:20  Unique         2.46, 2.92 A)
 &rst
  ixpk= 2489, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 924, 925,
 &end
#
#    0 AMB  20-2:2492    26 LEU  HG          5.50    (#   2492:20  Single Ambig)
 &rst
  ixpk= 2492, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1456,1447,1448,1866,
 &end
#
#    0 AMB  20-2:2493    26 LEU  HG          7.00    (#   2493:20  Single Ambig)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 157, 158,1396,
 &end
#
#   26 LEU  HB-          26 LEU  HG          4.50    (#   2494:20  Unique         2.32, 2.39 A)
 &rst
  ixpk= 2494, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 407, 408,
 &end
#
#  120 LEU  HB-          26 LEU  HG          5.50    (#   2495:20  Unique         2.56, 3.60 A)
 &rst
  ixpk= 2495, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1849,1850,
 &end
#
#    0 AMB  20-2:2497    26 LEU  HG          4.50    (#   2497:20  Single Ambig)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1= 535, 536,1353,1354,1355,1357,1358,1359,1524,1525,
      1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:2498    26 LEU  HG          4.50    (#   2498:20  Single Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 531, 532, 533, 183, 184, 185, 187, 188, 189,1407,
      1408,1409,
 &end
#
#  120 LEU  MDY          26 LEU  HG          3.50    (#   2499:20  Unique         2.21, 3.37 A)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#   86 PRO  HD+          86 PRO  HG+         3.50    (#   2502:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1296,1297,
 igr2=1299,1300,
 &end
#
#   85 GLN  HA           86 PRO  HG+         4.50    (#   2504:20  Unique         4.23, 4.63 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1299,1300,
 &end
#
#    0 AMB  20-2:2506     0 AMB  20-1:2506   4.50    (#   2506:20  Double Ambig)
 &rst
  ixpk= 2506, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1305,1343,
 igr2=1299,1300,1299,1300,
 &end
#
#   85 GLN  HG+          86 PRO  HG+         5.50    (#   2507:20  Unique         2.77, 4.93 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1299,1300,
 &end
#
#  113 CYS  HB-          39 PRO  HG-         7.00    (#   2510:20  Unique         7.57, 9.60 A)
 &rst
  ixpk= 2510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1739,1740,
 igr2= 608, 609,
 &end
#
#    0 AMB  20-2:2511     0 AMB  20-1:2511   5.50    (#   2511:20  Double Ambig)
 &rst
  ixpk= 2511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1723, 646, 318,
 igr2= 608, 609, 669, 670,
 &end
#
#    0 AMB  20-2:2513     0 AMB  20-1:2513   2.80    (#   2513:20  Double Ambig)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 666, 667, 605, 606,1644,1645,
 igr2= 669, 670, 608, 609,
 &end
#
#    0 AMB  20-2:2514     0 AMB  20-1:2514   3.50    (#   2514:20  Double Ambig)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 666, 667, 605, 606, 591, 592,
 igr2= 669, 670, 608, 609,
 &end
#
#    0 AMB  20-2:2517     0 AMB  20-1:2517   3.50    (#   2517:20  Double Ambig)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 611, 612, 672, 673,
 igr2= 608, 609, 669, 670,
 &end
#
#    0 AMB  20-2:2518     0 AMB  20-1:2518   4.50    (#   2518:20  Double Ambig)
 &rst
  ixpk= 2518, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 675, 614,1599,
 igr2= 669, 670, 608, 609,
 &end
#
#    0 AMB  20-2:2520     0 AMB  20-1:2520   5.50    (#   2520:20  Double Ambig)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1780, 675, 614,
 igr2=1832,1833, 669, 670, 608, 609,
 &end
#
#    0 AMB  20-2:2528     0 AMB  20-1:2528   4.50    (#   2528:20  Double Ambig)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1394,1909,
 igr2=1404,1405,1404,1405,
 &end
#
#   92 ILE  HN           92 ILE  HG1-        5.50    (#   2529:20  Unique         1.98, 3.01 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1404,1405,
 &end
#
#   26 LEU  HA           26 LEU  HG          5.50    (#   2533:20  Unique         3.77, 3.81 A)
 &rst
  ixpk= 2533, nxpk= 20, iat= 405, 410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2534    26 LEU  HG          2.80    (#   2534:20  Single Ambig)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 412, 413, 414, 416, 417, 418,1458,1459,1460,
 &end
#
#  113 CYS  HA          113 CYS  HB-         4.50    (#   2537:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1739,1740,
 &end
#
#    0 AMB  20-2:2539   113 CYS  HB-         7.00    (#   2539:20  Single Ambig)
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 570, 571, 572, 574, 575, 576, 219, 220,
 igr2=1739,1740,
 &end
#
#  113 CYS  HA          113 CYS  HB-         4.50    (#   2540:20  Unique         2.36, 2.69 A)
 &rst
  ixpk= 2540, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1739,1740,
 &end
#
#    0 AMB  20-2:2545   111 ARG  HG-         4.50    (#   2545:20  Single Ambig)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1763,1688,1780,
 igr2=1704,1705,
 &end
#
#  109 VAL  HA          111 ARG  HG-         7.00    (#   2546:20  Unique         7.12, 7.85 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=1672,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1704,1705,
 &end
#
#  107 SER  HB-         111 ARG  HG-         5.50    (#   2548:20  Unique         2.63, 6.00 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1644,1645,
 igr2=1704,1705,
 &end
#
#    0 AMB  20-2:2549   111 ARG  HG-         7.00    (#   2549:20  Single Ambig)
 &rst
  ixpk= 2549, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1782,1783, 605, 606,
 igr2=1704,1705,
 &end
#
#    0 AMB  20-2:2551     0 AMB  20-1:2551   4.50    (#   2551:20  Double Ambig)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1413,1309,
 igr2=1404,1405,1404,1405,
 &end
#
#   92 ILE  HA           92 ILE  HG1+        3.50    (#   2552:20  Unique         2.29, 3.27 A)
 &rst
  ixpk= 2552, nxpk= 20, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#   92 ILE  QG2          92 ILE  HG1+        5.50    (#   2553:20  Unique         2.25, 3.46 A)
 &rst
  ixpk= 2553, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1400,1401,1402,
 igr2=1404,1405,
 &end
#
#  115 HIS  HA          111 ARG  HG+         5.50    (#   2554:20  Unique         4.64, 5.14 A)
 &rst
  ixpk= 2554, nxpk= 20, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1704,1705,
 &end
#
#   18 ARG  HA           19 LEU  HG          4.50    (#   2555:20  Unique         3.37, 3.97 A)
 &rst
  ixpk= 2555, nxpk= 20, iat= 268, 297, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  107 SER  HB-         111 ARG  HG+         4.50    (#   2556:20  Unique         2.63, 6.00 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1644,1645,
 igr2=1704,1705,
 &end
#
#   89 VAL  HA           87 ARG  HG+         5.50    (#   2557:20  Unique         2.80, 4.91 A)
 &rst
  ixpk= 2557, nxpk= 20, iat=1349,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1316,1317,
 &end
#
#   19 LEU  HN           19 LEU  HG          4.50    (#   2558:20  Unique         1.83, 2.52 A)
 &rst
  ixpk= 2558, nxpk= 20, iat= 290, 297, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 HIS  HD2          19 LEU  HG          7.00    (#   2559:20  Unique         6.42, 8.33 A)
 &rst
  ixpk= 2559, nxpk= 20, iat= 365, 297, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:2560    19 LEU  HG          2.80    (#   2560:20  Single Ambig)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 &end
#
#   80 LEU  HB+          80 LEU  HG          2.80    (#   2561:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,1201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1198,1199,
 &end
#
#   28 ILE  HN           28 ILE  HG1+        5.50    (#   2563:20  Unique         2.64, 2.81 A)
 &rst
  ixpk= 2563, nxpk= 20, iat= 443,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:2569     0 AMB  20-1:2569   5.50    (#   2569:20  Double Ambig)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 538, 539, 540, 449, 450, 451,
 igr2=1471,1472,1471,1472,
 &end
#
#   97 LYS  HA           97 LYS  HG+         4.50    (#   2570:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1471,1472,
 &end
#
#   80 LEU  HA           80 LEU  HG          4.50    (#   2575:20  Unique         2.67, 3.13 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=1196,1201, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2576    80 LEU  HG          2.80    (#   2576:20  Single Ambig)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,1201, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#   80 LEU  HN           80 LEU  HG          4.50    (#   2577:20  Unique         2.67, 4.30 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=1194,1201, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 PRO  HD-           8 PRO  HG+         4.50    (#   2579:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 2579, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2= 109, 110,
 &end
#
#    0 AMB  20-2:2580     0 AMB  20-1:2580   4.50    (#   2580:20  Double Ambig)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 106, 107, 426, 427, 426, 427,
 igr2= 109, 110, 203, 204, 412, 413, 414, 416, 417, 418,
      
 &end
#
#   29 GLY  HN           28 ILE  HG1+        5.50    (#   2582:20  Unique         3.14, 3.83 A)
 &rst
  ixpk= 2582, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 453, 454,
 &end
#
#    7 GLU  HA            8 PRO  HG+         5.50    (#   2583:20  Unique         4.23, 4.54 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 109, 110,
 &end
#
#   27 TYR  HN           26 LEU  MDY         5.50    (#   2586:20  Unique         2.42, 4.02 A)
 &rst
  ixpk= 2586, nxpk= 20, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   26 LEU  HA           26 LEU  MDY         4.50    (#   2587:20  Unique         2.24, 3.47 A)
 &rst
  ixpk= 2587, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   13 LEU  HN           13 LEU  MDY         5.50    (#   2590:20  Unique         1.92, 4.74 A)
 &rst
  ixpk= 2590, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   24 TRP  HD1          13 LEU  MDY         5.50    (#   2591:20  Unique         3.18, 7.61 A)
 &rst
  ixpk= 2591, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   78 ASN  HB-          13 LEU  MDY         5.50    (#   2593:20  Unique         3.64, 6.35 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1173,1174,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HB-          13 LEU  MDY         3.50    (#   2594:20  Unique         2.33, 3.29 A)
 &rst
  ixpk= 2594, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 178, 179,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HG           13 LEU  MDY         4.50    (#   2595:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 2595, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   78 ASN  HA           13 LEU  MDY         5.50    (#   2597:20  Unique         2.26, 4.24 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=1171,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HA           13 LEU  MDY         5.50    (#   2598:20  Unique         2.43, 4.52 A)
 &rst
  ixpk= 2598, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:2599    13 LEU  MDY         5.50    (#   2599:20  Single Ambig)
 &rst
  ixpk= 2599, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1187,1188,1816,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   97 LYS  HN           97 LYS  HG-         5.50    (#   2600:20  Unique         2.16, 3.17 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1471,1472,
 &end
#
#    9 LYS  HN            8 PRO  HG-         5.50    (#   2603:20  Unique         4.35, 4.87 A)
 &rst
  ixpk= 2603, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 109, 110,
 &end
#
#    8 PRO  HA            8 PRO  HG-         7.00    (#   2604:20  Unique         3.83, 3.98 A)
 &rst
  ixpk= 2604, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 109, 110,
 &end
#
#    8 PRO  HD-           8 PRO  HG-         4.50    (#   2605:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 2605, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2= 109, 110,
 &end
#
#    0 AMB  20-2:2606     8 PRO  HG-         7.00    (#   2606:20  Single Ambig)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1107, 462,
 igr2= 109, 110,
 &end
#
#    7 GLU  HA            8 PRO  HG-         5.50    (#   2607:20  Unique         4.23, 4.54 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 109, 110,
 &end
#
#    8 PRO  HD+           8 PRO  HG-         4.50    (#   2608:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2= 109, 110,
 &end
#
#    8 PRO  HB-           8 PRO  HG-         4.50    (#   2609:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 112, 113,
 igr2= 109, 110,
 &end
#
#    8 PRO  HB+           8 PRO  HG-         3.50    (#   2612:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 112, 113,
 igr2= 109, 110,
 &end
#
#    8 PRO  HA            0 AMB  20-1:2620   5.50    (#   2620:20  Single Ambig)
 &rst
  ixpk= 2620, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 109, 110, 203, 204,
 &end
#
#    0 AMB  20-2:2621     0 AMB  20-1:2621   2.80    (#   2621:20  Double Ambig)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 112, 113, 197, 535, 536,
 igr2= 203, 204, 109, 110, 453, 454,
 &end
#
#    0 AMB  20-2:2622     0 AMB  20-1:2622   5.50    (#   2622:20  Double Ambig)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 193, 509,
 igr2= 203, 204, 453, 454,
 &end
#
#    0 AMB  20-2:2623     0 AMB  20-1:2623   4.50    (#   2623:20  Double Ambig)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
      1053,1054,
 igr2= 109, 110, 109, 110,
 &end
#
#   97 LYS  HA           97 LYS  HG-         4.50    (#   2624:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 2624, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1471,1472,
 &end
#
#    0 AMB  20-2:2625    97 LYS  HG-         5.50    (#   2625:20  Single Ambig)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1477,1478, 927, 928,
 igr2=1471,1472,
 &end
#
#   97 LYS  HE+          97 LYS  HG-         4.50    (#   2626:20  Unique         2.32, 3.15 A)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1477,1478,
 igr2=1471,1472,
 &end
#
#   97 LYS  HB-          97 LYS  HG-         2.80    (#   2628:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1468,1469,
 igr2=1471,1472,
 &end
#
#   14 ILE  HN           14 ILE  HG1+        7.00    (#   2630:20  Unique         2.35, 3.08 A)
 &rst
  ixpk= 2630, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 203, 204,
 &end
#
#    0 AMB  20-2:2632     0 AMB  20-1:2632   3.50    (#   2632:20  Double Ambig)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1= 112, 113, 538, 539, 540, 449, 450, 451,
 igr2= 203, 204,1471,1472,
 &end
#
#    0 AMB  20-2:2633     0 AMB  20-1:2633   2.80    (#   2633:20  Double Ambig)
 &rst
  ixpk= 2633, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 199, 200, 201, 206, 207, 208,
 igr2= 203, 204, 203, 204,
 &end
#
#    0 AMB  20-2:2634     0 AMB  20-1:2634   2.80    (#   2634:20  Double Ambig)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
 igr1= 240, 241, 242, 515, 516, 517, 519, 520, 521, 989,
       990, 991, 993, 994, 995,
 igr2= 203, 204, 203, 204, 203, 204,
 &end
#
#   66 GLU  HN           65 LEU  HG          5.50    (#   2635:20  Unique         3.49, 3.74 A)
 &rst
  ixpk= 2635, nxpk= 20, iat= 999, 987, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2636     0 AMB  20-1:2636   5.50    (#   2636:20  Double Ambig)
 &rst
  ixpk= 2636, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1155, 403, 980,
 igr2= 203, 204, 203, 204, 987,
 &end
#
#   65 LEU  HA           65 LEU  HG          4.50    (#   2637:20  Unique         2.97, 3.09 A)
 &rst
  ixpk= 2637, nxpk= 20, iat= 982, 987, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2638     0 AMB  20-1:2638   2.80    (#   2638:20  Double Ambig)
 &rst
  ixpk= 2638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
 igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,1048,
      1049,1050,1052,1053,1054,
 igr2= 203, 204, 987,
 &end
#
#   65 LEU  HB-          65 LEU  HG          3.50    (#   2639:20  Unique         2.50, 2.81 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 984, 985,
 &end
#
#   13 LEU  MDY          13 LEU  HG          3.50    (#   2643:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HN           13 LEU  HG          5.50    (#   2648:20  Unique         2.12, 3.49 A)
 &rst
  ixpk= 2648, nxpk= 20, iat= 174, 181, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  HB-          13 LEU  HG          5.50    (#   2649:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 2649, nxpk= 20, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 178, 179,
 &end
#
#   13 LEU  MDX          13 LEU  HG          4.50    (#   2650:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 2650, nxpk= 20, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#  120 LEU  HN          120 LEU  HG          7.00    (#   2652:20  Unique         2.27, 2.51 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=1845,1852, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:2653   120 LEU  HG          4.50    (#   2653:20  Single Ambig)
 &rst
  ixpk= 2653, nxpk= 20, iat=  -1,1852, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1800,1847,
 &end
#
#  120 LEU  MDY         120 LEU  HG          3.50    (#   2654:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,1852, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  116 PHE  HE          120 LEU  MDY         5.50    (#   2657:20  Unique         2.47, 4.51 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1788,1792,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HN          120 LEU  MDY         5.50    (#   2658:20  Unique         3.63, 4.48 A)
 &rst
  ixpk= 2658, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:2659   120 LEU  MDY         3.50    (#   2659:20  Single Ambig)
 &rst
  ixpk= 2659, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1456,1847,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:2660   120 LEU  MDY         5.50    (#   2660:20  Single Ambig)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1505,1506,1802,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   26 LEU  HB-         120 LEU  MDY         7.00    (#   2661:20  Unique         2.17, 3.82 A)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 407, 408,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HB-         120 LEU  MDY         4.50    (#   2662:20  Unique         2.28, 3.29 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1849,1850,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:2663   120 LEU  MDY         2.80    (#   2663:20  Single Ambig)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.99, r4= 6.74,
 igr1=1458,1459,1460,1852,1804,1805,1806,1808,1809,1810,
       412, 413, 414, 416, 417, 418,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:2664   120 LEU  MDY         3.50    (#   2664:20  Single Ambig)
 &rst
  ixpk= 2664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1849,1850, 531, 532, 533,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:2665   120 LEU  MDY         3.50    (#   2665:20  Single Ambig)
 &rst
  ixpk= 2665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 412, 413, 414, 416, 417, 418,1400,1401,1402,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   75 ARG  HD-          75 ARG  HG+         5.50    (#   2668:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1125,1126,
 igr2=1122,1123,
 &end
#
#   75 ARG  HB-          75 ARG  HG+         4.50    (#   2669:20  Unique         2.25, 2.69 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1119,1120,
 igr2=1122,1123,
 &end
#
#   11 GLY  HN           26 LEU  MDX         7.00    (#   2670:20  Unique         3.21, 5.05 A)
 &rst
  ixpk= 2670, nxpk= 20, iat= 155,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   13 LEU  HA           26 LEU  MDX         5.50    (#   2671:20  Unique         2.27, 4.66 A)
 &rst
  ixpk= 2671, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#    0 AMB  20-2:2672    26 LEU  MDX         5.50    (#   2672:20  Single Ambig)
 &rst
  ixpk= 2672, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1423,1424,1404,1405, 535, 536,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   75 ARG  HN           75 ARG  HG+         5.50    (#   2675:20  Unique         2.43, 4.21 A)
 &rst
  ixpk= 2675, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1122,1123,
 &end
#
#   75 ARG  HA           75 ARG  HG+         4.50    (#   2676:20  Unique         2.37, 3.25 A)
 &rst
  ixpk= 2676, nxpk= 20, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:2686    26 LEU  MDX         4.50    (#   2686:20  Single Ambig)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 151,1456,1866,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   11 GLY  HA-          26 LEU  MDX         4.50    (#   2687:20  Unique         2.21, 4.22 A)
 &rst
  ixpk= 2687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 157, 158,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   27 TYR  HN           26 LEU  MDX         4.50    (#   2688:20  Unique         2.42, 4.02 A)
 &rst
  ixpk= 2688, nxpk= 20, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   26 LEU  HA           26 LEU  MDX         4.50    (#   2689:20  Unique         2.24, 3.47 A)
 &rst
  ixpk= 2689, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   11 GLY  HA+          26 LEU  MDX         4.50    (#   2691:20  Unique         2.21, 4.22 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 157, 158,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#  117 VAL  HB           26 LEU  MDX         5.50    (#   2692:20  Unique         3.75, 7.08 A)
 &rst
  ixpk= 2692, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#    0 AMB  20-2:2694    26 LEU  MDX         4.50    (#   2694:20  Single Ambig)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 407, 408,1398,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#  120 LEU  HB-          26 LEU  MDX         4.50    (#   2695:20  Unique         2.85, 5.23 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1849,1850,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#  120 LEU  MDY          26 LEU  MDX         4.50    (#   2699:20  Unique         2.43, 5.32 A)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#  113 CYS  HA           36 LEU  MDY         3.50    (#   2701:20  Unique         2.58, 6.06 A)
 &rst
  ixpk= 2701, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2703    36 LEU  MDY         5.50    (#   2703:20  Single Ambig)
 &rst
  ixpk= 2703, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 864, 580,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   36 LEU  HA           36 LEU  MDY         5.50    (#   2704:20  Unique         2.17, 3.84 A)
 &rst
  ixpk= 2704, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2705    36 LEU  MDY         7.00    (#   2705:20  Single Ambig)
 &rst
  ixpk= 2705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1=1782,1783, 605, 606,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  112 ASN  HB-          36 LEU  MDY         5.50    (#   2706:20  Unique         2.74, 6.10 A)
 &rst
  ixpk= 2706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1725,1726,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   99 MET  HG+          36 LEU  MDY         7.00    (#   2707:20  Unique         6.64, 9.27 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1508,1509,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    8 PRO  HG+          65 LEU  MDY         4.50    (#   2709:20  Unique         2.29, 3.54 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 109, 110,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2710    65 LEU  MDY         2.80    (#   2710:20  Single Ambig)
 &rst
  ixpk= 2710, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 984, 985, 987,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   66 GLU  HN           65 LEU  MDY         5.50    (#   2712:20  Unique         4.20, 5.39 A)
 &rst
  ixpk= 2712, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2713    65 LEU  MDY         5.50    (#   2713:20  Single Ambig)
 &rst
  ixpk= 2713, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 980, 403,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2714    65 LEU  MDY         4.50    (#   2714:20  Single Ambig)
 &rst
  ixpk= 2714, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1102,1111,1014,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2715    65 LEU  MDY         4.50    (#   2715:20  Single Ambig)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 462,1107,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   31 GLY  HA-          65 LEU  MDY         5.50    (#   2717:20  Unique         2.86, 6.36 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 483, 484,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HA           65 LEU  MDY         4.50    (#   2719:20  Unique         2.22, 3.94 A)
 &rst
  ixpk= 2719, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2720    65 LEU  MDY         7.00    (#   2720:20  Single Ambig)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1= 106, 107, 426, 427,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HB-          65 LEU  MDY         3.50    (#   2721:20  Unique         2.37, 3.31 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 984, 985,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    8 PRO  HG+          65 LEU  MDY         3.50    (#   2723:20  Unique         2.29, 3.54 A)
 &rst
  ixpk= 2723, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 109, 110,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2729   103 LYS  HG-         5.50    (#   2729:20  Single Ambig)
 &rst
  ixpk= 2729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1580, 879, 854,
 igr2=1565,1566,
 &end
#
#  103 LYS  HN          103 LYS  HG-         4.50    (#   2730:20  Unique         2.87, 3.62 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#  103 LYS  HA          103 LYS  HG-         4.50    (#   2731:20  Unique         2.35, 2.78 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#   59 GLU  HA          103 LYS  HG-         5.50    (#   2732:20  Unique         2.61, 3.76 A)
 &rst
  ixpk= 2732, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1565,1566,
 &end
#
#  103 LYS  HE+         103 LYS  HG-         4.50    (#   2733:20  Unique         2.43, 3.38 A)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1571,1572,
 igr2=1565,1566,
 &end
#
#   61 LYS  HA           61 LYS  HG+         5.50    (#   2735:20  Unique         2.24, 2.85 A)
 &rst
  ixpk= 2735, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 902, 903,
 &end
#
#   61 LYS  HE+          61 LYS  HG+         5.50    (#   2736:20  Unique         2.33, 3.46 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 908, 909,
 igr2= 902, 903,
 &end
#
#    0 AMB  20-2:2737     0 AMB  20-1:2737   4.50    (#   2737:20  Double Ambig)
 &rst
  ixpk= 2737, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
 igr2= 902, 903, 902, 903,
 &end
#
#   75 ARG  HA           75 ARG  HG-         3.50    (#   2738:20  Unique         2.37, 3.25 A)
 &rst
  ixpk= 2738, nxpk= 20, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:2740     0 AMB  20-1:2740   5.50    (#   2740:20  Double Ambig)
 &rst
  ixpk= 2740, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1139,1580,
 igr2=1122,1123,1565,1566,
 &end
#
#  103 LYS  HN          103 LYS  HG+         4.50    (#   2741:20  Unique         2.87, 3.62 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#  103 LYS  HA          103 LYS  HG+         4.50    (#   2742:20  Unique         2.35, 2.78 A)
 &rst
  ixpk= 2742, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#   59 GLU  HA          103 LYS  HG+         5.50    (#   2743:20  Unique         2.61, 3.76 A)
 &rst
  ixpk= 2743, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1565,1566,
 &end
#
#  103 LYS  HE+         103 LYS  HG+         4.50    (#   2744:20  Unique         2.43, 3.38 A)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1571,1572,
 igr2=1565,1566,
 &end
#
#   75 ARG  HB-          75 ARG  HG-         2.80    (#   2745:20  Unique         2.25, 2.69 A)
 &rst
  ixpk= 2745, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1119,1120,
 igr2=1122,1123,
 &end
#
#   61 LYS  HA           61 LYS  HG-         4.50    (#   2747:20  Unique         2.24, 2.85 A)
 &rst
  ixpk= 2747, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 902, 903,
 &end
#
#   61 LYS  HE+          61 LYS  HG-         5.50    (#   2749:20  Unique         2.33, 3.46 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 908, 909,
 igr2= 902, 903,
 &end
#
#   61 LYS  HB-          61 LYS  HG-         4.50    (#   2750:20  Unique         2.27, 2.75 A)
 &rst
  ixpk= 2750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 899, 900,
 igr2= 902, 903,
 &end
#
#    0 AMB  20-2:2751    61 LYS  HG-         2.80    (#   2751:20  Single Ambig)
 &rst
  ixpk= 2751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 899, 900, 905, 906, 905, 906,
 igr2= 902, 903,
 &end
#
#    0 AMB  20-2:2753    61 LYS  HG-         4.50    (#   2753:20  Single Ambig)
 &rst
  ixpk= 2753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
 igr2= 902, 903,
 &end
#
#  118 THR  HA           80 LEU  MDX         7.00    (#   2756:20  Unique         2.60, 6.71 A)
 &rst
  ixpk= 2756, nxpk= 20, iat=1816,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   80 LEU  HN           80 LEU  MDX         5.50    (#   2757:20  Unique         3.81, 5.19 A)
 &rst
  ixpk= 2757, nxpk= 20, iat=1194,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#    0 AMB  20-2:2758     0 AMB  20-1:2758   4.50    (#   2758:20  Double Ambig)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1265,1274, 369,1553,1554,
 igr2=1203,1204,1205,1207,1208,1209, 570, 571, 572, 574,
       575, 576,
 &end
#
#   84 TYR  HE           80 LEU  MDX         4.50    (#   2759:20  Unique         2.30, 5.46 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1267,1272,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   84 TYR  HH           80 LEU  MDX         4.50    (#   2760:20  Unique         2.71, 4.98 A)
 &rst
  ixpk= 2760, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   60 VAL  HA           36 LEU  MDY         4.50    (#   2761:20  Unique         2.73, 4.80 A)
 &rst
  ixpk= 2761, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2762     0 AMB  20-1:2762   4.50    (#   2762:20  Double Ambig)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1584,1585,1249,1250,
 igr2= 570, 571, 572, 574, 575, 576,1203,1204,1205,1207,
      1208,1209,
 &end
#
#   80 LEU  HG           80 LEU  MDX         3.50    (#   2763:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=1201,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#    0 AMB  20-2:2765     0 AMB  20-1:2765   2.80    (#   2765:20  Double Ambig)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1=1804,1805,1806,1808,1809,1810, 568,1198,1199,1820,
      1821,1822,
 igr2=1203,1204,1205,1207,1208,1209, 570, 571, 572, 574,
       575, 576,
 &end
#
#    0 AMB  20-2:2782     0 AMB  20-1:2782   5.50    (#   2782:20  Double Ambig)
 &rst
  ixpk= 2782, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1599, 614,
 igr2=1604,1605,1604,1605,
 &end
#
#    0 AMB  20-2:2783   103 LYS  HG-         2.80    (#   2783:20  Single Ambig)
 &rst
  ixpk= 2783, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1562,1563, 868, 869,
 igr2=1565,1566,
 &end
#
#   57 SER  HA          105 LYS  HG+         4.50    (#   2784:20  Unique         2.24, 4.62 A)
 &rst
  ixpk= 2784, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#    0 AMB  20-2:2786   105 LYS  HG-         4.50    (#   2786:20  Single Ambig)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1599, 614,
 igr2=1604,1605,
 &end
#
#  105 LYS  HE+         105 LYS  HG-         4.50    (#   2787:20  Unique         2.38, 3.21 A)
 &rst
  ixpk= 2787, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1610,1611,
 igr2=1604,1605,
 &end
#
#    0 AMB  20-2:2788     0 AMB  20-1:2788   2.80    (#   2788:20  Double Ambig)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1601,1602,1607,1608, 868, 869,
 igr2=1604,1605, 902, 903,
 &end
#
#    0 AMB  20-2:2791    54 LEU  MDX         2.80    (#   2791:20  Single Ambig)
 &rst
  ixpk= 2791, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 803, 804, 803, 804,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   54 LEU  HA           54 LEU  MDX         5.50    (#   2793:20  Unique         2.11, 3.68 A)
 &rst
  ixpk= 2793, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   19 LEU  HB-          19 LEU  MDX         2.80    (#   2834:20  Unique         2.40, 3.34 A)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 294, 295,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#    0 AMB  20-2:2835    19 LEU  MDX         2.80    (#   2835:20  Single Ambig)
 &rst
  ixpk= 2835, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 297, 294, 295,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#    0 AMB  20-2:2842    65 LEU  MDX         5.50    (#   2842:20  Single Ambig)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 980, 403,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   69 VAL  HN           65 LEU  MDX         7.00    (#   2843:20  Unique         3.72, 5.58 A)
 &rst
  ixpk= 2843, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2844    65 LEU  MDX         5.50    (#   2844:20  Single Ambig)
 &rst
  ixpk= 2844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1026,1058,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   27 TYR  HD           65 LEU  MDX         4.50    (#   2845:20  Unique         2.47, 5.47 A)
 &rst
  ixpk= 2845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 430, 439,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2846    65 LEU  MDX         4.50    (#   2846:20  Single Ambig)
 &rst
  ixpk= 2846, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 462,1107,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   66 GLU  HA           65 LEU  MDX         5.50    (#   2848:20  Unique         4.74, 5.75 A)
 &rst
  ixpk= 2848, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HA           65 LEU  MDX         3.50    (#   2849:20  Unique         2.22, 3.94 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HB-          65 LEU  MDX         3.50    (#   2851:20  Unique         2.37, 3.31 A)
 &rst
  ixpk= 2851, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 984, 985,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2853    65 LEU  MDX         4.50    (#   2853:20  Single Ambig)
 &rst
  ixpk= 2853, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 203, 204, 453, 454,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2854    65 LEU  MDX         2.80    (#   2854:20  Single Ambig)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 984, 985, 987,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   33 VAL  MGX          65 LEU  MDX         2.80    (#   2856:20  Unique         2.25, 5.02 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 515, 516, 517, 519, 520, 521,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2869     0 AMB  20-1:2869   2.80    (#   2869:20  Double Ambig)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 123, 124, 129, 130,
 igr2= 126, 127, 126, 127,
 &end
#
#    9 LYS  HA            9 LYS  HG+         4.50    (#   2870:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 2870, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 126, 127,
 &end
#
#    9 LYS  HE+           9 LYS  HG+         4.50    (#   2871:20  Unique         2.39, 3.10 A)
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 132, 133,
 igr2= 126, 127,
 &end
#
#    9 LYS  HN            9 LYS  HG+         4.50    (#   2872:20  Unique         2.61, 4.16 A)
 &rst
  ixpk= 2872, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 126, 127,
 &end
#
#    9 LYS  HA            9 LYS  HG+         4.50    (#   2873:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 2873, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 126, 127,
 &end
#
#    9 LYS  HE+           9 LYS  HG+         4.50    (#   2874:20  Unique         2.39, 3.10 A)
 &rst
  ixpk= 2874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 132, 133,
 igr2= 126, 127,
 &end
#
#  101 GLY  HN          100 VAL  MGX         4.50    (#   2876:20  Unique         2.62, 4.12 A)
 &rst
  ixpk= 2876, nxpk= 20, iat=1534,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   99 MET  HN          100 VAL  MGX         5.50    (#   2877:20  Unique         3.96, 6.27 A)
 &rst
  ixpk= 2877, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HN          100 VAL  MGX         3.50    (#   2878:20  Unique         2.04, 3.89 A)
 &rst
  ixpk= 2878, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   97 LYS  HA          100 VAL  MGX         3.50    (#   2879:20  Unique         2.25, 4.27 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HA          100 VAL  MGX         4.50    (#   2880:20  Unique         2.43, 3.13 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:2881   100 VAL  MGX         5.50    (#   2881:20  Single Ambig)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 927, 928, 927, 928,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:2882   100 VAL  MGX         2.80    (#   2882:20  Single Ambig)
 &rst
  ixpk= 2882, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  116 PHE  HD          117 VAL  MGX         3.50    (#   2894:20  Unique         2.24, 5.68 A)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1786,1794,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   25 ALA  HA          117 VAL  MGX         4.50    (#   2895:20  Unique         4.02, 6.45 A)
 &rst
  ixpk= 2895, nxpk= 20, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  114 GLU  HA          117 VAL  MGX         5.50    (#   2896:20  Unique         2.21, 4.23 A)
 &rst
  ixpk= 2896, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  20-2:2897   117 VAL  MGX         5.50    (#   2897:20  Single Ambig)
 &rst
  ixpk= 2897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 403,1155,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HN          117 VAL  MGX         3.50    (#   2898:20  Unique         2.05, 3.21 A)
 &rst
  ixpk= 2898, nxpk= 20, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   26 LEU  HA          117 VAL  MGX         7.00    (#   2899:20  Unique         4.76, 7.05 A)
 &rst
  ixpk= 2899, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   35 HIS  HA          117 VAL  MGX         5.50    (#   2900:20  Unique         5.03, 7.49 A)
 &rst
  ixpk= 2900, nxpk= 20, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HA          117 VAL  MGX         3.50    (#   2902:20  Unique         2.30, 3.44 A)
 &rst
  ixpk= 2902, nxpk= 20, iat=1800,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HB          117 VAL  MGX         3.50    (#   2903:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 2903, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   26 LEU  HB-         117 VAL  MGX         4.50    (#   2904:20  Unique         3.39, 6.75 A)
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 407, 408,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  20-2:2905   117 VAL  MGX         3.50    (#   2905:20  Single Ambig)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 412, 413, 414, 416, 417, 418, 219, 220,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  20-2:2906   117 VAL  MGX         4.50    (#   2906:20  Single Ambig)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 410, 206, 207, 208, 570, 571, 572, 574, 575, 576,
      
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  120 LEU  MDY         117 VAL  MGX         4.50    (#   2908:20  Unique         2.26, 6.55 A)
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   62 ARG  HN          100 VAL  MGX         5.50    (#   2909:20  Unique         2.76, 4.09 A)
 &rst
  ixpk= 2909, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   61 LYS  HA          100 VAL  MGX         7.00    (#   2911:20  Unique         2.27, 3.73 A)
 &rst
  ixpk= 2911, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:2913   100 VAL  MGX         5.50    (#   2913:20  Single Ambig)
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1505,1506, 883,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HB          100 VAL  MGX         2.80    (#   2914:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 2914, nxpk= 20, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:2915   100 VAL  MGX         5.50    (#   2915:20  Single Ambig)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 871, 872, 407, 408,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   20 GLY  HN           19 LEU  MDY         5.50    (#   2917:20  Unique         2.26, 5.78 A)
 &rst
  ixpk= 2917, nxpk= 20, iat= 309,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#    0 AMB  20-2:2918    19 LEU  MDY         3.50    (#   2918:20  Single Ambig)
 &rst
  ixpk= 2918, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 292, 675,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#   36 LEU  HN           36 LEU  MDX         5.50    (#   2921:20  Unique         4.06, 5.43 A)
 &rst
  ixpk= 2921, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2922    36 LEU  MDX         4.50    (#   2922:20  Single Ambig)
 &rst
  ixpk= 2922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 879,1580,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2923    36 LEU  MDX         4.50    (#   2923:20  Single Ambig)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 864, 580,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   59 GLU  HA           36 LEU  MDX         5.50    (#   2924:20  Unique         3.32, 5.17 A)
 &rst
  ixpk= 2924, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  113 CYS  HA           36 LEU  MDX         4.50    (#   2926:20  Unique         2.58, 6.06 A)
 &rst
  ixpk= 2926, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2927    36 LEU  MDX         4.50    (#   2927:20  Single Ambig)
 &rst
  ixpk= 2927, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 881,1780, 582,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   36 LEU  HA           36 LEU  MDX         3.50    (#   2928:20  Unique         2.17, 3.84 A)
 &rst
  ixpk= 2928, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  HG-          36 LEU  MDX         5.50    (#   2929:20  Unique         2.42, 5.00 A)
 &rst
  ixpk= 2929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1587,1588,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  HG+          36 LEU  MDX         5.50    (#   2930:20  Unique         2.42, 5.00 A)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1587,1588,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  HB-          36 LEU  MDX         5.50    (#   2931:20  Unique         2.34, 4.49 A)
 &rst
  ixpk= 2931, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1584,1585,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  ME           36 LEU  MDX         4.50    (#   2932:20  Unique         2.28, 4.92 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1591,1592,1593,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   36 LEU  HB-          36 LEU  MDX         4.50    (#   2933:20  Unique         2.40, 3.33 A)
 &rst
  ixpk= 2933, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 565, 566,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  HB+          36 LEU  MDX         4.50    (#   2934:20  Unique         2.34, 4.49 A)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1584,1585,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2935    36 LEU  MDX         2.80    (#   2935:20  Single Ambig)
 &rst
  ixpk= 2935, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 858, 859, 860, 568,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2936    36 LEU  MDX         2.80    (#   2936:20  Single Ambig)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 885, 886, 887, 889, 890, 891, 565, 566,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  124 LYS  HA          124 LYS  HG-         5.50    (#   2943:20  Unique         2.32, 3.34 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1923,1924,
 &end
#
#  124 LYS  HB-         124 LYS  HG-         3.50    (#   2944:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2944, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1920,1921,
 igr2=1923,1924,
 &end
#
#  124 LYS  HD+         124 LYS  HG-         2.80    (#   2945:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 2945, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1926,1927,
 igr2=1923,1924,
 &end
#
#  124 LYS  HB-         124 LYS  HG+         4.50    (#   2946:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1920,1921,
 igr2=1923,1924,
 &end
#
#  124 LYS  HE+         124 LYS  HG-         5.50    (#   2947:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 2947, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1929,1930,
 igr2=1923,1924,
 &end
#
#   24 TRP  HD1          13 LEU  MDX         5.50    (#   2948:20  Unique         3.18, 7.61 A)
 &rst
  ixpk= 2948, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#  121 ARG  HG-          13 LEU  MDX         7.00    (#   2950:20  Unique         2.98, 6.57 A)
 &rst
  ixpk= 2950, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1871,1872,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   14 ILE  HN           13 LEU  MDX         5.50    (#   2952:20  Unique         1.96, 4.79 A)
 &rst
  ixpk= 2952, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HN           13 LEU  MDX         5.50    (#   2953:20  Unique         1.92, 4.74 A)
 &rst
  ixpk= 2953, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   26 LEU  HA           13 LEU  MDX         4.50    (#   2954:20  Unique         3.80, 6.15 A)
 &rst
  ixpk= 2954, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HA           13 LEU  MDX         3.50    (#   2955:20  Unique         2.43, 4.52 A)
 &rst
  ixpk= 2955, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HB-          13 LEU  MDX         4.50    (#   2957:20  Unique         2.33, 3.29 A)
 &rst
  ixpk= 2957, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 178, 179,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:2958    13 LEU  MDX         3.50    (#   2958:20  Single Ambig)
 &rst
  ixpk= 2958, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1802,1159,1160,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HG           13 LEU  MDX         4.50    (#   2959:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 2959, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:2960    13 LEU  MDX         2.80    (#   2960:20  Single Ambig)
 &rst
  ixpk= 2960, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1804,1805,1806,1808,1809,1810, 412, 413, 414, 416,
       417, 418,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#  117 VAL  HA           13 LEU  MDX         4.50    (#   2963:20  Unique         3.84, 5.76 A)
 &rst
  ixpk= 2963, nxpk= 20, iat=1800,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   54 LEU  HA           54 LEU  MDY         3.50    (#   2964:20  Unique         2.11, 3.68 A)
 &rst
  ixpk= 2964, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#    0 AMB  20-2:2967    54 LEU  MDY         2.80    (#   2967:20  Single Ambig)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 803, 804, 803, 804,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   33 VAL  HN           33 VAL  MGX         5.50    (#   2979:20  Unique         2.38, 3.70 A)
 &rst
  ixpk= 2979, nxpk= 20, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:2980    33 VAL  MGX         4.50    (#   2980:20  Single Ambig)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 525, 544,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   63 GLU  HN           33 VAL  MGX         3.50    (#   2981:20  Unique         2.85, 5.21 A)
 &rst
  ixpk= 2981, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:2982    33 VAL  MGX         7.00    (#   2982:20  Single Ambig)
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 980, 403,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   28 ILE  HN           33 VAL  MGX         5.50    (#   2983:20  Unique         3.34, 5.09 A)
 &rst
  ixpk= 2983, nxpk= 20, iat= 443,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   35 HIS  HD2          33 VAL  MGX         4.50    (#   2984:20  Unique         3.29, 6.89 A)
 &rst
  ixpk= 2984, nxpk= 20, iat= 557,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   27 TYR  HD           33 VAL  MGX         3.50    (#   2985:20  Unique         3.23, 6.45 A)
 &rst
  ixpk= 2985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 430, 439,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HA           33 VAL  MGX         4.50    (#   2986:20  Unique         2.45, 3.46 A)
 &rst
  ixpk= 2986, nxpk= 20, iat= 511,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   32 TYR  HA           33 VAL  MGX         4.50    (#   2987:20  Unique         3.09, 4.77 A)
 &rst
  ixpk= 2987, nxpk= 20, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   27 TYR  HA           33 VAL  MGX         3.50    (#   2988:20  Unique         2.04, 4.06 A)
 &rst
  ixpk= 2988, nxpk= 20, iat= 424,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:2991    33 VAL  MGX         7.00    (#   2991:20  Single Ambig)
 &rst
  ixpk= 2991, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1= 958, 483, 484,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   65 LEU  HA           33 VAL  MGX         4.50    (#   2992:20  Unique         2.15, 3.60 A)
 &rst
  ixpk= 2992, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   63 GLU  HG+          33 VAL  MGX         3.50    (#   2995:20  Unique         2.24, 5.74 A)
 &rst
  ixpk= 2995, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 948, 949,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HB           33 VAL  MGX         3.50    (#   2996:20  Unique         2.32, 2.64 A)
 &rst
  ixpk= 2996, nxpk= 20, iat= 513,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   65 LEU  HB+          33 VAL  MGX         2.80    (#   2998:20  Unique         2.28, 4.59 A)
 &rst
  ixpk= 2998, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 984, 985,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   84 TYR  HE           80 LEU  MDY         4.50    (#   3002:20  Unique         2.30, 5.46 A)
 &rst
  ixpk= 3002, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1267,1272,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   84 TYR  HH           80 LEU  MDY         4.50    (#   3003:20  Unique         2.71, 4.98 A)
 &rst
  ixpk= 3003, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   80 LEU  HA           80 LEU  MDY         3.50    (#   3004:20  Unique         2.15, 3.86 A)
 &rst
  ixpk= 3004, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#    0 AMB  20-2:3005    80 LEU  MDY         5.50    (#   3005:20  Single Ambig)
 &rst
  ixpk= 3005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1818,1763,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   83 GLU  HA           80 LEU  MDY         5.50    (#   3006:20  Unique         5.21, 7.96 A)
 &rst
  ixpk= 3006, nxpk= 20, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   83 GLU  HG+          80 LEU  MDY         3.50    (#   3007:20  Unique         2.44, 5.44 A)
 &rst
  ixpk= 3007, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1249,1250,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   80 LEU  HG           80 LEU  MDY         2.80    (#   3008:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 3008, nxpk= 20, iat=1201,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#    0 AMB  20-2:3009    80 LEU  MDY         2.80    (#   3009:20  Single Ambig)
 &rst
  ixpk= 3009, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.63, r4= 6.38,
 igr1=1804,1805,1806,1808,1809,1810,1198,1199,1820,1821,
      1822,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   80 LEU  HN           80 LEU  MDY         4.50    (#   3010:20  Unique         3.81, 5.19 A)
 &rst
  ixpk= 3010, nxpk= 20, iat=1194,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   89 VAL  HN           89 VAL  MGX         3.50    (#   3018:20  Unique         1.95, 3.74 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   11 GLY  HA+          89 VAL  MGX         5.50    (#   3020:20  Unique         2.11, 4.66 A)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 157, 158,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   89 VAL  HA           89 VAL  MGX         3.50    (#   3021:20  Unique         2.43, 3.31 A)
 &rst
  ixpk= 3021, nxpk= 20, iat=1349,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:3022    89 VAL  MGX         2.80    (#   3022:20  Single Ambig)
 &rst
  ixpk= 3022, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1351,1367,1368,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   90 GLU  HN           89 VAL  MGX         4.50    (#   3024:20  Unique         2.16, 4.27 A)
 &rst
  ixpk= 3024, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   10 PRO  HB-          89 VAL  MGX         3.50    (#   3025:20  Unique         2.39, 4.31 A)
 &rst
  ixpk= 3025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 148, 149,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:3026    89 VAL  MGX         2.80    (#   3026:20  Single Ambig)
 &rst
  ixpk= 3026, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1423,1424,1316,1317,1313,1314,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   26 LEU  HN           25 ALA  MB          4.50    (#   3028:20  Unique         2.23, 3.20 A)
 &rst
  ixpk= 3028, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 397, 398, 399,
 &end
#
#   33 VAL  HA           25 ALA  MB          7.00    (#   3029:20  Unique         4.48, 5.63 A)
 &rst
  ixpk= 3029, nxpk= 20, iat= 511,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 397, 398, 399,
 &end
#
#   35 HIS  HA           25 ALA  MB          4.50    (#   3031:20  Unique         3.42, 4.41 A)
 &rst
  ixpk= 3031, nxpk= 20, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 397, 398, 399,
 &end
#
#   25 ALA  HA           25 ALA  MB          3.50    (#   3032:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 3032, nxpk= 20, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 397, 398, 399,
 &end
#
#    0 AMB  20-2:3033    25 ALA  MB          2.80    (#   3033:20  Single Ambig)
 &rst
  ixpk= 3033, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 240, 241, 242, 515, 516, 517, 519, 520, 521,
 igr2= 397, 398, 399,
 &end
#
#   14 ILE  HN           25 ALA  MB          7.00    (#   3034:20  Unique         3.61, 4.81 A)
 &rst
  ixpk= 3034, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 397, 398, 399,
 &end
#
#    0 AMB  20-2:3035    25 ALA  MB          5.50    (#   3035:20  Single Ambig)
 &rst
  ixpk= 3035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 525, 544,
 igr2= 397, 398, 399,
 &end
#
#   63 GLU  HA           68 VAL  MGY         5.50    (#   3038:20  Unique         4.63, 7.03 A)
 &rst
  ixpk= 3038, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:3044   118 THR  MG2         5.50    (#   3044:20  Single Ambig)
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1267,1272,1896,1905,
 igr2=1820,1821,1822,
 &end
#
#   58 ALA  HA           58 ALA  MB          2.80    (#   3051:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 3051, nxpk= 20, iat= 856,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 858, 859, 860,
 &end
#
#   96 ALA  HN          120 LEU  MDX         4.50    (#   3057:20  Unique         3.23, 5.30 A)
 &rst
  ixpk= 3057, nxpk= 20, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  116 PHE  HE          120 LEU  MDX         5.50    (#   3058:20  Unique         2.47, 4.51 A)
 &rst
  ixpk= 3058, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1788,1792,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   95 SER  HA          120 LEU  MDX         5.50    (#   3059:20  Unique         4.72, 7.57 A)
 &rst
  ixpk= 3059, nxpk= 20, iat=1445,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:3060   120 LEU  MDX         2.80    (#   3060:20  Single Ambig)
 &rst
  ixpk= 3060, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1800,1456,1847,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   99 MET  ME          120 LEU  MDX         4.50    (#   3061:20  Unique         2.46, 4.80 A)
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1512,1513,1514,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:3062   120 LEU  MDX         3.50    (#   3062:20  Single Ambig)
 &rst
  ixpk= 3062, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
 igr1=1458,1459,1460,1852,1804,1805,1806,1808,1809,1810,
       412, 413, 414, 416, 417, 418,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:3064   120 LEU  MDX         2.80    (#   3064:20  Single Ambig)
 &rst
  ixpk= 3064, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1849,1850, 531, 532, 533,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:3066    60 VAL  MGY         4.50    (#   3066:20  Single Ambig)
 &rst
  ixpk= 3066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1541, 580, 864,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   59 GLU  HA           60 VAL  MGY         5.50    (#   3067:20  Unique         3.62, 5.72 A)
 &rst
  ixpk= 3067, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#  104 MET  HG+          60 VAL  MGY         4.50    (#   3068:20  Unique         2.96, 6.28 A)
 &rst
  ixpk= 3068, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1587,1588,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   64 ARG  HN           68 VAL  MGY         5.50    (#   3070:20  Unique         3.65, 6.20 A)
 &rst
  ixpk= 3070, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   69 VAL  HN           68 VAL  MGY         5.50    (#   3071:20  Unique         2.28, 4.32 A)
 &rst
  ixpk= 3071, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 VAL  HN           68 VAL  MGY         3.50    (#   3072:20  Unique         2.01, 3.73 A)
 &rst
  ixpk= 3072, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:3073    68 VAL  MGY         5.50    (#   3073:20  Single Ambig)
 &rst
  ixpk= 3073, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1014,1102,1111,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   18 ARG  HA           68 VAL  MGY         5.50    (#   3074:20  Unique         4.08, 7.65 A)
 &rst
  ixpk= 3074, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 VAL  HA           68 VAL  MGY         3.50    (#   3075:20  Unique         2.29, 3.18 A)
 &rst
  ixpk= 3075, nxpk= 20, iat=1028,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:3076    68 VAL  MGY         4.50    (#   3076:20  Single Ambig)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1018,1019,1018,1019,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   63 GLU  HG+          68 VAL  MGY         5.50    (#   3077:20  Unique         2.28, 5.32 A)
 &rst
  ixpk= 3077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 948, 949,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:3078    68 VAL  MGY         4.50    (#   3078:20  Single Ambig)
 &rst
  ixpk= 3078, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 948, 949, 945, 946,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:3079    68 VAL  MGY         4.50    (#   3079:20  Single Ambig)
 &rst
  ixpk= 3079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 960, 961, 984, 985,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:3080    68 VAL  MGY         2.80    (#   3080:20  Single Ambig)
 &rst
  ixpk= 3080, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1030, 945, 946,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 ALA  MB           68 VAL  MGY         5.50    (#   3081:20  Unique         4.05, 6.27 A)
 &rst
  ixpk= 3081, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 397, 398, 399,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   33 VAL  MGX          68 VAL  MGY         4.50    (#   3082:20  Unique         2.33, 5.86 A)
 &rst
  ixpk= 3082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 515, 516, 517, 519, 520, 521,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#  118 THR  HN          118 THR  MG2         5.50    (#   3088:20  Unique         2.59, 4.02 A)
 &rst
  ixpk= 3088, nxpk= 20, iat=1814,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1820,1821,1822,
 &end
#
#    0 AMB  20-2:3089   118 THR  MG2         5.50    (#   3089:20  Single Ambig)
 &rst
  ixpk= 3089, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1828,1761,
 igr2=1820,1821,1822,
 &end
#
#   84 TYR  HH          118 THR  MG2         5.50    (#   3090:20  Unique         2.72, 5.01 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1820,1821,1822,
 &end
#
#  122 TYR  HA          118 THR  MG2         3.50    (#   3091:20  Unique         4.86, 7.24 A)
 &rst
  ixpk= 3091, nxpk= 20, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1820,1821,1822,
 &end
#
#  118 THR  HB          118 THR  MG2         3.50    (#   3092:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 3092, nxpk= 20, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1820,1821,1822,
 &end
#
#  118 THR  HA          118 THR  MG2         3.50    (#   3093:20  Unique         2.33, 3.00 A)
 &rst
  ixpk= 3093, nxpk= 20, iat=1816,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1820,1821,1822,
 &end
#
#  119 GLN  HA          118 THR  MG2         5.50    (#   3094:20  Unique         4.11, 6.01 A)
 &rst
  ixpk= 3094, nxpk= 20, iat=1830,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1820,1821,1822,
 &end
#
#  125 SER  HB+         118 THR  MG2         7.00    (#   3095:20  Unique         3.89, 6.71 A)
 &rst
  ixpk= 3095, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1942,1943,
 igr2=1820,1821,1822,
 &end
#
#    0 AMB  20-2:3097   118 THR  MG2         2.80    (#   3097:20  Single Ambig)
 &rst
  ixpk= 3097, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1820,1821,1822,
 &end
#
#    0 AMB  20-2:3099    58 ALA  MB          4.50    (#   3099:20  Single Ambig)
 &rst
  ixpk= 3099, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1580, 854,
 igr2= 858, 859, 860,
 &end
#
#   59 GLU  HN           58 ALA  MB          3.50    (#   3100:20  Unique         2.50, 3.53 A)
 &rst
  ixpk= 3100, nxpk= 20, iat= 864,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:3101     0 AMB  20-1:3101   5.50    (#   3101:20  Double Ambig)
 &rst
  ixpk= 3101, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.37, r4=11.12,
 igr1= 365,1553,1554,1290,1291,
 igr2= 858, 859, 860,1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:3102    58 ALA  MB          4.50    (#   3102:20  Single Ambig)
 &rst
  ixpk= 3102, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1582, 845,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  20-2:3103     0 AMB  20-1:3103   4.50    (#   3103:20  Double Ambig)
 &rst
  ixpk= 3103, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 563, 142, 143,1672,
 igr2= 858, 859, 860,1353,1354,1355,1357,1358,1359,
 &end
#
#   88 PRO  HB-          91 VAL  MGX         7.00    (#   3105:20  Unique         2.41, 4.93 A)
 &rst
  ixpk= 3105, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1340,1341,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   88 PRO  HB+          91 VAL  MGX         3.50    (#   3106:20  Unique         2.41, 4.93 A)
 &rst
  ixpk= 3106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1340,1341,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   72 CYS  HN           69 VAL  MGY         4.50    (#   3107:20  Unique         4.63, 5.81 A)
 &rst
  ixpk= 3107, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HH           69 VAL  MGY         5.50    (#   3109:20  Unique         3.35, 5.67 A)
 &rst
  ixpk= 3109, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HA           69 VAL  MGY         5.50    (#   3110:20  Unique         2.29, 3.20 A)
 &rst
  ixpk= 3110, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HB-          69 VAL  MGY         7.00    (#   3111:20  Unique         2.57, 5.22 A)
 &rst
  ixpk= 3111, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1098,1099,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HN           69 VAL  MGY         4.50    (#   3112:20  Unique         2.13, 3.64 A)
 &rst
  ixpk= 3112, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   70 GLY  HN           69 VAL  MGY         4.50    (#   3113:20  Unique         3.04, 4.79 A)
 &rst
  ixpk= 3113, nxpk= 20, iat=1058,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HD           69 VAL  MGY         3.50    (#   3114:20  Unique         2.41, 4.97 A)
 &rst
  ixpk= 3114, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1102,1111,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:3116    69 VAL  MGY         4.50    (#   3116:20  Single Ambig)
 &rst
  ixpk= 3116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1076,1077,1087,1088,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HB           69 VAL  MGY         3.50    (#   3117:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 3117, nxpk= 20, iat=1046,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   61 LYS  HN           60 VAL  MGY         4.50    (#   3118:20  Unique         2.80, 4.31 A)
 &rst
  ixpk= 3118, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   60 VAL  HN           60 VAL  MGY         3.50    (#   3119:20  Unique         2.13, 3.87 A)
 &rst
  ixpk= 3119, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#  116 PHE  HE           60 VAL  MGY         4.50    (#   3120:20  Unique         2.25, 5.22 A)
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1788,1792,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   60 VAL  HA           60 VAL  MGY         4.50    (#   3121:20  Unique         2.45, 3.16 A)
 &rst
  ixpk= 3121, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   36 LEU  HA           60 VAL  MGY         5.50    (#   3122:20  Unique         3.01, 4.48 A)
 &rst
  ixpk= 3122, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:3124    60 VAL  MGY         3.50    (#   3124:20  Single Ambig)
 &rst
  ixpk= 3124, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1505,1506, 883,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#  104 MET  ME           60 VAL  MGY         4.50    (#   3125:20  Unique         2.17, 4.70 A)
 &rst
  ixpk= 3125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1591,1592,1593,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:3127    60 VAL  MGY         7.00    (#   3127:20  Single Ambig)
 &rst
  ixpk= 3127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1503,1536,1537,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:3128    60 VAL  MGY         3.50    (#   3128:20  Single Ambig)
 &rst
  ixpk= 3128, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1545,1546,1512,1513,1514,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:3136    91 VAL  MGX         5.50    (#   3136:20  Single Ambig)
 &rst
  ixpk= 3136, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1394,1909,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   91 VAL  HN           91 VAL  MGX         3.50    (#   3137:20  Unique         2.02, 3.74 A)
 &rst
  ixpk= 3137, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   91 VAL  HA           91 VAL  MGX         3.50    (#   3138:20  Unique         2.45, 3.17 A)
 &rst
  ixpk= 3138, nxpk= 20, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   90 GLU  HG+          91 VAL  MGX         4.50    (#   3139:20  Unique         2.50, 6.89 A)
 &rst
  ixpk= 3139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1370,1371,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#    0 AMB  20-2:3140    91 VAL  MGX         2.80    (#   3140:20  Single Ambig)
 &rst
  ixpk= 3140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1382,1337,1338,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#    0 AMB  20-2:3146     0 AMB  20-1:3146   5.50    (#   3146:20  Double Ambig)
 &rst
  ixpk= 3146, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1541,1454, 580,
 igr2=1524,1525,1526,1528,1529,1530,1384,1385,1386,1388,
      1389,1390,
 &end
#
#  101 GLY  HN          100 VAL  MGY         4.50    (#   3147:20  Unique         2.62, 4.12 A)
 &rst
  ixpk= 3147, nxpk= 20, iat=1534,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   62 ARG  HN          100 VAL  MGY         4.50    (#   3148:20  Unique         2.76, 4.09 A)
 &rst
  ixpk= 3148, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   61 LYS  HA          100 VAL  MGY         4.50    (#   3150:20  Unique         2.27, 3.73 A)
 &rst
  ixpk= 3150, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  101 GLY  HA-         100 VAL  MGY         4.50    (#   3151:20  Unique         3.30, 5.65 A)
 &rst
  ixpk= 3151, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1536,1537,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HA          100 VAL  MGY         4.50    (#   3152:20  Unique         2.43, 3.13 A)
 &rst
  ixpk= 3152, nxpk= 20, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:3153     0 AMB  20-1:3153   2.80    (#   3153:20  Double Ambig)
 &rst
  ixpk= 3153, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1522,1337,1338,
 igr2=1524,1525,1526,1528,1529,1530,1384,1385,1386,1388,
      1389,1390,
 &end
#
#    0 AMB  20-2:3154     0 AMB  20-1:3154   3.50    (#   3154:20  Double Ambig)
 &rst
  ixpk= 3154, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 924, 925, 921, 922,1920,1921,
 igr2=1524,1525,1526,1528,1529,1530,1384,1385,1386,1388,
      1389,1390,
 &end
#
#   77 ASN  HN           76 VAL  MGX         5.50    (#   3156:20  Unique         2.68, 4.53 A)
 &rst
  ixpk= 3156, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   76 VAL  HN           76 VAL  MGX         4.50    (#   3157:20  Unique         1.97, 3.50 A)
 &rst
  ixpk= 3157, nxpk= 20, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    8 PRO  HA           76 VAL  MGX         3.50    (#   3158:20  Unique         2.09, 3.77 A)
 &rst
  ixpk= 3158, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   12 ASP  HB-          76 VAL  MGX         5.50    (#   3159:20  Unique         2.74, 5.48 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 166, 167,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:3160    76 VAL  MGX         5.50    (#   3160:20  Single Ambig)
 &rst
  ixpk= 3160, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1173,1174, 166, 167,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    8 PRO  HB-          76 VAL  MGX         4.50    (#   3161:20  Unique         2.30, 4.90 A)
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 112, 113,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:3162    76 VAL  MGX         2.80    (#   3162:20  Single Ambig)
 &rst
  ixpk= 3162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 199, 200, 201, 206, 207, 208,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   90 GLU  HN           89 VAL  MGY         4.50    (#   3163:20  Unique         2.16, 4.27 A)
 &rst
  ixpk= 3163, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:3165    76 VAL  MGX         2.80    (#   3165:20  Single Ambig)
 &rst
  ixpk= 3165, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1143,  77,  78,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   89 VAL  HN           89 VAL  MGY         4.50    (#   3177:20  Unique         1.95, 3.74 A)
 &rst
  ixpk= 3177, nxpk= 20, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   89 VAL  HA           89 VAL  MGY         4.50    (#   3178:20  Unique         2.43, 3.31 A)
 &rst
  ixpk= 3178, nxpk= 20, iat=1349,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   11 GLY  HA-          89 VAL  MGY         5.50    (#   3179:20  Unique         2.11, 4.66 A)
 &rst
  ixpk= 3179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 157, 158,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   90 GLU  HG+          89 VAL  MGY         5.50    (#   3180:20  Unique         2.39, 5.82 A)
 &rst
  ixpk= 3180, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1370,1371,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:3181    89 VAL  MGY         2.80    (#   3181:20  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1351,1367,1368,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   69 VAL  HN           69 VAL  MGX         3.50    (#   3186:20  Unique         2.13, 3.64 A)
 &rst
  ixpk= 3186, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   70 GLY  HN           69 VAL  MGX         4.50    (#   3187:20  Unique         3.04, 4.79 A)
 &rst
  ixpk= 3187, nxpk= 20, iat=1058,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HD           69 VAL  MGX         5.50    (#   3188:20  Unique         2.41, 4.97 A)
 &rst
  ixpk= 3188, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1102,1111,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   66 GLU  HA           69 VAL  MGX         4.50    (#   3189:20  Unique         2.24, 4.74 A)
 &rst
  ixpk= 3189, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HA           69 VAL  MGX         3.50    (#   3190:20  Unique         2.29, 3.20 A)
 &rst
  ixpk= 3190, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HB-          69 VAL  MGX         5.50    (#   3191:20  Unique         2.57, 5.22 A)
 &rst
  ixpk= 3191, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1098,1099,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HB           69 VAL  MGX         3.50    (#   3192:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 3192, nxpk= 20, iat=1046,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HH           69 VAL  MGX         5.50    (#   3193:20  Unique         3.35, 5.67 A)
 &rst
  ixpk= 3193, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:3194    69 VAL  MGX         3.50    (#   3194:20  Single Ambig)
 &rst
  ixpk= 3194, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 233, 234, 235, 515, 516, 517, 519, 520, 521,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   13 LEU  MDX         117 VAL  MGY         2.80    (#   3198:20  Unique         2.20, 4.82 A)
 &rst
  ixpk= 3198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  109 VAL  HA          109 VAL  MGY         3.50    (#   3210:20  Unique         2.46, 3.34 A)
 &rst
  ixpk= 3210, nxpk= 20, iat=1672,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1676,1677,1678,1680,1681,1682,
 &end
#
#   50 VAL  HA           50 VAL  MGX         4.50    (#   3212:20  Unique         2.34, 3.50 A)
 &rst
  ixpk= 3212, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   74 TYR  HE           69 VAL  MGX         4.50    (#   3217:20  Unique         2.26, 5.06 A)
 &rst
  ixpk= 3217, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1104,1109,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:3218    69 VAL  MGX         5.50    (#   3218:20  Single Ambig)
 &rst
  ixpk= 3218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1117, 195, 268,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   68 VAL  HA           69 VAL  MGX         4.50    (#   3219:20  Unique         5.17, 6.72 A)
 &rst
  ixpk= 3219, nxpk= 20, iat=1028,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   68 VAL  HB           69 VAL  MGX         3.50    (#   3220:20  Unique         2.98, 5.20 A)
 &rst
  ixpk= 3220, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   16 ILE  HG1+         69 VAL  MGX         4.50    (#   3221:20  Unique         4.40, 7.49 A)
 &rst
  ixpk= 3221, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 237, 238,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:3222    69 VAL  MGX         3.50    (#   3222:20  Single Ambig)
 &rst
  ixpk= 3222, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 987, 109, 110,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#  118 THR  HN          117 VAL  MGY         5.50    (#   3228:20  Unique         2.62, 4.43 A)
 &rst
  ixpk= 3228, nxpk= 20, iat=1814,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   24 TRP  HD1         117 VAL  MGY         4.50    (#   3229:20  Unique         2.25, 5.65 A)
 &rst
  ixpk= 3229, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  116 PHE  HD          117 VAL  MGY         7.00    (#   3230:20  Unique         2.24, 5.68 A)
 &rst
  ixpk= 3230, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1786,1794,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HN          117 VAL  MGY         4.50    (#   3231:20  Unique         2.05, 3.21 A)
 &rst
  ixpk= 3231, nxpk= 20, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HA          117 VAL  MGY         4.50    (#   3233:20  Unique         2.30, 3.44 A)
 &rst
  ixpk= 3233, nxpk= 20, iat=1800,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  114 GLU  HA          117 VAL  MGY         4.50    (#   3234:20  Unique         2.21, 4.23 A)
 &rst
  ixpk= 3234, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   24 TRP  HB+         117 VAL  MGY         4.50    (#   3235:20  Unique         2.30, 4.03 A)
 &rst
  ixpk= 3235, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 373, 374,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   24 TRP  HB-         117 VAL  MGY         4.50    (#   3236:20  Unique         2.30, 4.03 A)
 &rst
  ixpk= 3236, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 373, 374,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HB          117 VAL  MGY         4.50    (#   3237:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 3237, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   13 LEU  HB+         117 VAL  MGY         4.50    (#   3239:20  Unique         2.45, 5.58 A)
 &rst
  ixpk= 3239, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 178, 179,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   78 ASN  HD2+         76 VAL  MGY         4.50    (#   3242:20  Unique         3.81, 6.42 A)
 &rst
  ixpk= 3242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1178,1179,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    8 PRO  HA           76 VAL  MGY         5.50    (#   3243:20  Unique         2.09, 3.77 A)
 &rst
  ixpk= 3243, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   77 ASN  HN           76 VAL  MGY         4.50    (#   3246:20  Unique         2.68, 4.53 A)
 &rst
  ixpk= 3246, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   78 ASN  HN           76 VAL  MGY         5.50    (#   3247:20  Unique         2.95, 5.82 A)
 &rst
  ixpk= 3247, nxpk= 20, iat=1169,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:3248    76 VAL  MGY         4.50    (#   3248:20  Single Ambig)
 &rst
  ixpk= 3248, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1157, 164,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   12 ASP  HB-          76 VAL  MGY         5.50    (#   3249:20  Unique         2.74, 5.48 A)
 &rst
  ixpk= 3249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 166, 167,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:3250    76 VAL  MGY         2.80    (#   3250:20  Single Ambig)
 &rst
  ixpk= 3250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1143,  77,  78,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:3265    76 VAL  MGY         4.50    (#   3265:20  Single Ambig)
 &rst
  ixpk= 3265, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1173,1174, 166, 167,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   13 LEU  HG           76 VAL  MGY         4.50    (#   3268:20  Unique         4.80, 7.62 A)
 &rst
  ixpk= 3268, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:3272    53 VAL  MGY         4.50    (#   3272:20  Single Ambig)
 &rst
  ixpk= 3272, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 776, 777, 729, 730,
 igr2= 789, 790, 791, 793, 794, 795,
 &end
#
#   41 GLU  HG+          53 VAL  MGY         5.50    (#   3275:20  Unique         2.20, 6.65 A)
 &rst
  ixpk= 3275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 636, 637,
 igr2= 789, 790, 791, 793, 794, 795,
 &end
#
#   49 SER  HA           50 VAL  MGY         5.50    (#   3279:20  Unique         3.28, 5.63 A)
 &rst
  ixpk= 3279, nxpk= 20, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   51 PHE  HA           50 VAL  MGY         3.50    (#   3284:20  Unique         3.77, 5.88 A)
 &rst
  ixpk= 3284, nxpk= 20, iat= 754,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   50 VAL  HA           50 VAL  MGY         4.50    (#   3285:20  Unique         2.34, 3.50 A)
 &rst
  ixpk= 3285, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#    0 AMB  20-2:3286    50 VAL  MGY         3.50    (#   3286:20  Single Ambig)
 &rst
  ixpk= 3286, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 740, 669, 670,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   45 ALA  MB           50 VAL  MGY         4.50    (#   3288:20  Unique         2.25, 6.96 A)
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 690, 691, 692,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   96 ALA  HN           96 ALA  MB          3.50    (#   3299:20  Unique         2.31, 2.86 A)
 &rst
  ixpk= 3299, nxpk= 20, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1458,1459,1460,
 &end
#
#   93 ILE  HA           96 ALA  MB          4.50    (#   3301:20  Unique         2.61, 3.49 A)
 &rst
  ixpk= 3301, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1458,1459,1460,
 &end
#
#  120 LEU  MDY          96 ALA  MB          3.50    (#   3302:20  Unique         2.22, 4.55 A)
 &rst
  ixpk= 3302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1458,1459,1460,
 &end
#
#   97 LYS  HN           96 ALA  MB          3.50    (#   3311:20  Unique         2.39, 3.33 A)
 &rst
  ixpk= 3311, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1458,1459,1460,
 &end
#
#   96 ALA  HA           96 ALA  MB          2.80    (#   3312:20  Unique         2.39, 2.68 A)
 &rst
  ixpk= 3312, nxpk= 20, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1458,1459,1460,
 &end
#
#   34 ILE  QG2          96 ALA  MB          2.80    (#   3313:20  Unique         2.23, 4.20 A)
 &rst
  ixpk= 3313, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 531, 532, 533,
 igr2=1458,1459,1460,
 &end
#
#    0 AMB  20-2:3314    96 ALA  MB          2.80    (#   3314:20  Single Ambig)
 &rst
  ixpk= 3314, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 538, 539, 540, 449, 450, 451,
 igr2=1458,1459,1460,
 &end
#
#    0 AMB  20-2:3315    96 ALA  MB          3.50    (#   3315:20  Single Ambig)
 &rst
  ixpk= 3315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 igr2=1458,1459,1460,
 &end
#
#    0 AMB  20-2:3316    37 ALA  MB          3.50    (#   3316:20  Single Ambig)
 &rst
  ixpk= 3316, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 864, 580,
 igr2= 584, 585, 586,
 &end
#
#    0 AMB  20-2:3318    37 ALA  MB          5.50    (#   3318:20  Single Ambig)
 &rst
  ixpk= 3318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 362, 657,
 igr2= 584, 585, 586,
 &end
#
#    0 AMB  20-2:3319    37 ALA  MB          7.00    (#   3319:20  Single Ambig)
 &rst
  ixpk= 3319, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 897, 831,
 igr2= 584, 585, 586,
 &end
#
#    0 AMB  20-2:3321    37 ALA  MB          4.50    (#   3321:20  Single Ambig)
 &rst
  ixpk= 3321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 785, 563,
 igr2= 584, 585, 586,
 &end
#
#   38 PRO  HD-          37 ALA  MB          4.50    (#   3322:20  Unique         2.35, 4.16 A)
 &rst
  ixpk= 3322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 591, 592,
 igr2= 584, 585, 586,
 &end
#
#   38 PRO  HD+          37 ALA  MB          4.50    (#   3323:20  Unique         2.35, 4.16 A)
 &rst
  ixpk= 3323, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 591, 592,
 igr2= 584, 585, 586,
 &end
#
#   61 LYS  HE+          37 ALA  MB          4.50    (#   3324:20  Unique         2.89, 5.47 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 908, 909,
 igr2= 584, 585, 586,
 &end
#
#   61 LYS  HB-          37 ALA  MB          3.50    (#   3325:20  Unique         3.42, 5.38 A)
 &rst
  ixpk= 3325, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 899, 900,
 igr2= 584, 585, 586,
 &end
#
#   36 LEU  MDX          37 ALA  MB          5.50    (#   3327:20  Unique         3.57, 6.85 A)
 &rst
  ixpk= 3327, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 584, 585, 586,
 &end
#
#   51 PHE  HA           45 ALA  MB          4.50    (#   3331:20  Unique         2.38, 6.95 A)
 &rst
  ixpk= 3331, nxpk= 20, iat= 754,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 690, 691, 692,
 &end
#
#   45 ALA  HA           45 ALA  MB          3.50    (#   3333:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 3333, nxpk= 20, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 690, 691, 692,
 &end
#
#   37 ALA  HA           37 ALA  MB          3.50    (#   3336:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 3336, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 584, 585, 586,
 &end
#
#    0 AMB  20-2:3338    37 ALA  MB          2.80    (#   3338:20  Single Ambig)
 &rst
  ixpk= 3338, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 905, 906, 905, 906,
 igr2= 584, 585, 586,
 &end
#
#   36 LEU  MDX          37 ALA  MB          4.50    (#   3340:20  Unique         3.57, 6.85 A)
 &rst
  ixpk= 3340, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 584, 585, 586,
 &end
#
#   33 VAL  HN           33 VAL  MGY         5.50    (#   3348:20  Unique         2.38, 3.70 A)
 &rst
  ixpk= 3348, nxpk= 20, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   63 GLU  HN           33 VAL  MGY         4.50    (#   3349:20  Unique         2.85, 5.21 A)
 &rst
  ixpk= 3349, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HA           33 VAL  MGY         4.50    (#   3350:20  Unique         2.45, 3.46 A)
 &rst
  ixpk= 3350, nxpk= 20, iat= 511,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   32 TYR  HA           33 VAL  MGY         5.50    (#   3351:20  Unique         3.09, 4.77 A)
 &rst
  ixpk= 3351, nxpk= 20, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   65 LEU  HA           33 VAL  MGY         4.50    (#   3353:20  Unique         2.15, 3.60 A)
 &rst
  ixpk= 3353, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:3354    33 VAL  MGY         5.50    (#   3354:20  Single Ambig)
 &rst
  ixpk= 3354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 945, 946, 948, 949,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HB           33 VAL  MGY         4.50    (#   3355:20  Unique         2.32, 2.64 A)
 &rst
  ixpk= 3355, nxpk= 20, iat= 513,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   63 GLU  HB+          33 VAL  MGY         5.50    (#   3356:20  Unique         2.07, 5.20 A)
 &rst
  ixpk= 3356, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 945, 946,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   25 ALA  MB           33 VAL  MGY         3.50    (#   3357:20  Unique         2.64, 4.65 A)
 &rst
  ixpk= 3357, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 397, 398, 399,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   74 TYR  HB-          16 ILE  QG2         4.50    (#   3359:20  Unique         2.29, 4.30 A)
 &rst
  ixpk= 3359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1098,1099,
 igr2= 233, 234, 235,
 &end
#
#   17 PHE  HN           16 ILE  QG2         4.50    (#   3361:20  Unique         2.55, 3.67 A)
 &rst
  ixpk= 3361, nxpk= 20, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 233, 234, 235,
 &end
#
#   74 TYR  HA           16 ILE  QG2         4.50    (#   3362:20  Unique         2.94, 4.40 A)
 &rst
  ixpk= 3362, nxpk= 20, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 233, 234, 235,
 &end
#
#   16 ILE  HA           16 ILE  QG2         4.50    (#   3363:20  Unique         2.51, 3.07 A)
 &rst
  ixpk= 3363, nxpk= 20, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  20-2:3364    16 ILE  QG2         4.50    (#   3364:20  Single Ambig)
 &rst
  ixpk= 3364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1044, 548, 549,
 igr2= 233, 234, 235,
 &end
#
#   72 CYS  HB-          16 ILE  QG2         4.50    (#   3365:20  Unique         2.10, 2.90 A)
 &rst
  ixpk= 3365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1076,1077,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  20-2:3366    16 ILE  QG2         4.50    (#   3366:20  Single Ambig)
 &rst
  ixpk= 3366, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1076,1077, 276, 277,
 igr2= 233, 234, 235,
 &end
#
#   16 ILE  HB           16 ILE  QG2         3.50    (#   3367:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 3367, nxpk= 20, iat= 231,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  20-2:3368    16 ILE  QG2         2.80    (#   3368:20  Single Ambig)
 &rst
  ixpk= 3368, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 240, 241, 242, 237, 238,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  20-2:3370    33 VAL  MGY         4.50    (#   3370:20  Single Ambig)
 &rst
  ixpk= 3370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 525, 544,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:3371    33 VAL  MGY         5.50    (#   3371:20  Single Ambig)
 &rst
  ixpk= 3371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 980, 403,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:3372    33 VAL  MGY         5.50    (#   3372:20  Single Ambig)
 &rst
  ixpk= 3372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
 igr1= 531, 532, 533,1145,1146,1147,1149,1150,1151, 183,
       184, 185, 187, 188, 189,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   28 ILE  HA           28 ILE  QG2         3.50    (#   3383:20  Unique         2.30, 3.06 A)
 &rst
  ixpk= 3383, nxpk= 20, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 449, 450, 451,
 &end
#
#   26 LEU  HA           28 ILE  QG2         7.00    (#   3384:20  Unique         5.33, 6.15 A)
 &rst
  ixpk= 3384, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 449, 450, 451,
 &end
#
#    0 AMB  20-2:3385    28 ILE  QG2         2.80    (#   3385:20  Single Ambig)
 &rst
  ixpk= 3385, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1423,1424, 453, 454, 412, 413, 414, 416, 417, 418,
      
 igr2= 449, 450, 451,
 &end
#
#   34 ILE  HN           28 ILE  QG2         7.00    (#   3391:20  Unique         2.87, 4.26 A)
 &rst
  ixpk= 3391, nxpk= 20, iat= 525,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 449, 450, 451,
 &end
#
#    0 AMB  20-2:3392    28 ILE  QG2         4.50    (#   3392:20  Single Ambig)
 &rst
  ixpk= 3392, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 443,1464,
 igr2= 449, 450, 451,
 &end
#
#   33 VAL  HA           28 ILE  QG2         5.50    (#   3393:20  Unique         3.03, 4.31 A)
 &rst
  ixpk= 3393, nxpk= 20, iat= 511,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 449, 450, 451,
 &end
#
#   28 ILE  HB           28 ILE  QG2         3.50    (#   3394:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 3394, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 449, 450, 451,
 &end
#
#    0 AMB  20-2:3396    28 ILE  QG2         3.50    (#   3396:20  Single Ambig)
 &rst
  ixpk= 3396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 407, 408, 921, 922,
 igr2= 449, 450, 451,
 &end
#
#   92 ILE  HN           92 ILE  QG2         4.50    (#   3398:20  Unique         4.19, 4.55 A)
 &rst
  ixpk= 3398, nxpk= 20, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1400,1401,1402,
 &end
#
#   92 ILE  HG1-         92 ILE  QG2         3.50    (#   3400:20  Unique         2.25, 3.46 A)
 &rst
  ixpk= 3400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1404,1405,
 igr2=1400,1401,1402,
 &end
#
#   93 ILE  HN           92 ILE  QG2         4.50    (#   3401:20  Unique         3.58, 4.64 A)
 &rst
  ixpk= 3401, nxpk= 20, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1400,1401,1402,
 &end
#
#   11 GLY  HA+          92 ILE  QG2         5.50    (#   3402:20  Unique         3.49, 5.10 A)
 &rst
  ixpk= 3402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 157, 158,
 igr2=1400,1401,1402,
 &end
#
#  121 ARG  HA           92 ILE  QG2         4.50    (#   3403:20  Unique         2.37, 3.81 A)
 &rst
  ixpk= 3403, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  20-2:3404    92 ILE  QG2         4.50    (#   3404:20  Single Ambig)
 &rst
  ixpk= 3404, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1415,1349,
 igr2=1400,1401,1402,
 &end
#
#   92 ILE  HA           92 ILE  QG2         3.50    (#   3405:20  Unique         2.31, 3.10 A)
 &rst
  ixpk= 3405, nxpk= 20, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1400,1401,1402,
 &end
#
#   92 ILE  HB           92 ILE  QG2         3.50    (#   3406:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 3406, nxpk= 20, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1400,1401,1402,
 &end
#
#  120 LEU  HB-          92 ILE  QG2         4.50    (#   3407:20  Unique         2.28, 3.95 A)
 &rst
  ixpk= 3407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1849,1850,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  20-2:3408    92 ILE  QG2         3.50    (#   3408:20  Single Ambig)
 &rst
  ixpk= 3408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1404,1405,1316,1317,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  20-2:3409    92 ILE  QG2         3.50    (#   3409:20  Single Ambig)
 &rst
  ixpk= 3409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1= 412, 413, 414, 416, 417, 418,1458,1459,1460,
 igr2=1400,1401,1402,
 &end
#
#   92 ILE  QD1          92 ILE  QG2         2.80    (#   3410:20  Unique         2.25, 3.91 A)
 &rst
  ixpk= 3410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1407,1408,1409,
 igr2=1400,1401,1402,
 &end
#
#  120 LEU  MDY          92 ILE  QG2         5.50    (#   3411:20  Unique         2.50, 5.56 A)
 &rst
  ixpk= 3411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1400,1401,1402,
 &end
#
#  116 PHE  HA          104 MET  ME          5.50    (#   3413:20  Unique         2.37, 4.72 A)
 &rst
  ixpk= 3413, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1591,1592,1593,
 &end
#
#  116 PHE  HD          104 MET  ME          4.50    (#   3414:20  Unique         2.23, 6.09 A)
 &rst
  ixpk= 3414, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1786,1794,
 igr2=1591,1592,1593,
 &end
#
#    0 AMB  20-2:3415   104 MET  ME          4.50    (#   3415:20  Single Ambig)
 &rst
  ixpk= 3415, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1788,1792,1730,1731,
 igr2=1591,1592,1593,
 &end
#
#   60 VAL  MGX         104 MET  ME          5.50    (#   3416:20  Unique         2.17, 4.70 A)
 &rst
  ixpk= 3416, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1591,1592,1593,
 &end
#
#   36 LEU  MDY         104 MET  ME          4.50    (#   3417:20  Unique         2.28, 4.92 A)
 &rst
  ixpk= 3417, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1591,1592,1593,
 &end
#
#   60 VAL  MGY         104 MET  ME          3.50    (#   3418:20  Unique         2.17, 4.70 A)
 &rst
  ixpk= 3418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1591,1592,1593,
 &end
#
#   93 ILE  HN           93 ILE  QG2         4.50    (#   3420:20  Unique         4.29, 4.53 A)
 &rst
  ixpk= 3420, nxpk= 20, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1419,1420,1421,
 &end
#
#   94 SER  HN           93 ILE  QG2         4.50    (#   3421:20  Unique         3.07, 4.17 A)
 &rst
  ixpk= 3421, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1419,1420,1421,
 &end
#
#   94 SER  HA           93 ILE  QG2         4.50    (#   3422:20  Unique         3.37, 4.60 A)
 &rst
  ixpk= 3422, nxpk= 20, iat=1434,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1419,1420,1421,
 &end
#
#   90 GLU  HA           93 ILE  QG2         4.50    (#   3423:20  Unique         3.94, 4.77 A)
 &rst
  ixpk= 3423, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1419,1420,1421,
 &end
#
#   93 ILE  HA           93 ILE  QG2         3.50    (#   3424:20  Unique         2.49, 3.29 A)
 &rst
  ixpk= 3424, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1419,1420,1421,
 &end
#
#   28 ILE  HB           93 ILE  QG2         4.50    (#   3425:20  Unique         2.33, 3.72 A)
 &rst
  ixpk= 3425, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1419,1420,1421,
 &end
#
#   93 ILE  HB           93 ILE  QG2         2.80    (#   3426:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 3426, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1419,1420,1421,
 &end
#
#   93 ILE  HG1-         93 ILE  QG2         2.80    (#   3427:20  Unique         2.34, 3.55 A)
 &rst
  ixpk= 3427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1423,1424,
 igr2=1419,1420,1421,
 &end
#
#  104 MET  HA          104 MET  ME          4.50    (#   3431:20  Unique         4.88, 5.79 A)
 &rst
  ixpk= 3431, nxpk= 20, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1591,1592,1593,
 &end
#
#   62 ARG  HA           34 ILE  QG2         5.50    (#   3432:20  Unique         3.80, 4.80 A)
 &rst
  ixpk= 3432, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 531, 532, 533,
 &end
#
#   35 HIS  HN           34 ILE  QG2         4.50    (#   3433:20  Unique         2.55, 3.39 A)
 &rst
  ixpk= 3433, nxpk= 20, iat= 544,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 531, 532, 533,
 &end
#
#    0 AMB  20-2:3434    34 ILE  QG2         5.50    (#   3434:20  Single Ambig)
 &rst
  ixpk= 3434, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 561, 941,1534,
 igr2= 531, 532, 533,
 &end
#
#  116 PHE  HE           34 ILE  QG2         5.50    (#   3435:20  Unique         2.33, 4.63 A)
 &rst
  ixpk= 3435, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1788,1792,
 igr2= 531, 532, 533,
 &end
#
#   34 ILE  HA           34 ILE  QG2         4.50    (#   3436:20  Unique         2.70, 3.40 A)
 &rst
  ixpk= 3436, nxpk= 20, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 531, 532, 533,
 &end
#
#    0 AMB  20-2:3437    34 ILE  QG2         7.00    (#   3437:20  Single Ambig)
 &rst
  ixpk= 3437, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
 igr1=1505,1506, 883, 948, 949,
 igr2= 531, 532, 533,
 &end
#
#   34 ILE  HB           34 ILE  QG2         2.80    (#   3438:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 3438, nxpk= 20, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 531, 532, 533,
 &end
#
#   96 ALA  MB           34 ILE  QG2         3.50    (#   3439:20  Unique         2.23, 4.20 A)
 &rst
  ixpk= 3439, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1458,1459,1460,
 igr2= 531, 532, 533,
 &end
#
#   97 LYS  HE+          93 ILE  QG2         4.50    (#   3442:20  Unique         2.13, 3.81 A)
 &rst
  ixpk= 3442, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1477,1478,
 igr2=1419,1420,1421,
 &end
#
#   28 ILE  HA           93 ILE  QG2         2.80    (#   3443:20  Unique         3.18, 4.37 A)
 &rst
  ixpk= 3443, nxpk= 20, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1419,1420,1421,
 &end
#
#   75 ARG  HN           14 ILE  QG2         5.50    (#   3446:20  Unique         2.24, 3.28 A)
 &rst
  ixpk= 3446, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 199, 200, 201,
 &end
#
#    0 AMB  20-2:3447    14 ILE  QG2         4.50    (#   3447:20  Single Ambig)
 &rst
  ixpk= 3447, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 109, 110, 397, 398, 399,
 igr2= 199, 200, 201,
 &end
#
#   99 MET  HN           99 MET  ME          5.50    (#   3453:20  Unique         4.74, 5.59 A)
 &rst
  ixpk= 3453, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1512,1513,1514,
 &end
#
#  116 PHE  HE           99 MET  ME          3.50    (#   3454:20  Unique         2.16, 4.87 A)
 &rst
  ixpk= 3454, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1788,1792,
 igr2=1512,1513,1514,
 &end
#
#  120 LEU  HN           99 MET  ME          5.50    (#   3455:20  Unique         3.00, 4.47 A)
 &rst
  ixpk= 3455, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1512,1513,1514,
 &end
#
#   99 MET  HA           99 MET  ME          5.50    (#   3457:20  Unique         4.43, 5.12 A)
 &rst
  ixpk= 3457, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1512,1513,1514,
 &end
#
#    0 AMB  20-2:3459    99 MET  ME          5.50    (#   3459:20  Single Ambig)
 &rst
  ixpk= 3459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1847,1456,1800,
 igr2=1512,1513,1514,
 &end
#
#   99 MET  HG-          99 MET  ME          4.50    (#   3460:20  Unique         2.69, 3.81 A)
 &rst
  ixpk= 3460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1508,1509,
 igr2=1512,1513,1514,
 &end
#
#   99 MET  HG+          99 MET  ME          4.50    (#   3461:20  Unique         2.69, 3.81 A)
 &rst
  ixpk= 3461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1508,1509,
 igr2=1512,1513,1514,
 &end
#
#  102 GLN  HG-          99 MET  ME          2.80    (#   3462:20  Unique         3.61, 6.14 A)
 &rst
  ixpk= 3462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1548,1549,
 igr2=1512,1513,1514,
 &end
#
#   99 MET  HB-          99 MET  ME          2.80    (#   3463:20  Unique         2.26, 3.20 A)
 &rst
  ixpk= 3463, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1505,1506,
 igr2=1512,1513,1514,
 &end
#
#   60 VAL  MGX          99 MET  ME          7.00    (#   3464:20  Unique         2.49, 4.25 A)
 &rst
  ixpk= 3464, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1512,1513,1514,
 &end
#
#  120 LEU  MDX          99 MET  ME          4.50    (#   3465:20  Unique         2.46, 4.80 A)
 &rst
  ixpk= 3465, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1512,1513,1514,
 &end
#
#  120 LEU  MDY          99 MET  ME          7.00    (#   3466:20  Unique         2.46, 4.80 A)
 &rst
  ixpk= 3466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1512,1513,1514,
 &end
#
#  120 LEU  MDY          34 ILE  QG2         4.50    (#   3470:20  Unique         2.83, 5.09 A)
 &rst
  ixpk= 3470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2= 531, 532, 533,
 &end
#
#    0 AMB  20-2:3472    14 ILE  QG2         4.50    (#   3472:20  Single Ambig)
 &rst
  ixpk= 3472, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 112, 113, 515, 516, 517, 519, 520, 521,
 igr2= 199, 200, 201,
 &end
#
#   14 ILE  HN           14 ILE  QG2         7.00    (#   3473:20  Unique         4.48, 4.70 A)
 &rst
  ixpk= 3473, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 199, 200, 201,
 &end
#
#   15 GLU  HN           14 ILE  QG2         4.50    (#   3474:20  Unique         2.17, 3.31 A)
 &rst
  ixpk= 3474, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 199, 200, 201,
 &end
#
#   74 TYR  HD           14 ILE  QG2         3.50    (#   3475:20  Unique         2.17, 4.59 A)
 &rst
  ixpk= 3475, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1102,1111,
 igr2= 199, 200, 201,
 &end
#
#    0 AMB  20-2:3476    14 ILE  QG2         5.50    (#   3476:20  Single Ambig)
 &rst
  ixpk= 3476, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1107, 462,
 igr2= 199, 200, 201,
 &end
#
#   14 ILE  HA           14 ILE  QG2         4.50    (#   3477:20  Unique         2.44, 2.96 A)
 &rst
  ixpk= 3477, nxpk= 20, iat= 195,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 199, 200, 201,
 &end
#
#    0 AMB  20-2:3478    14 ILE  QG2         7.00    (#   3478:20  Single Ambig)
 &rst
  ixpk= 3478, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
 igr1= 214, 106, 107,1159,1160,
 igr2= 199, 200, 201,
 &end
#
#   74 TYR  HB-          14 ILE  QG2         4.50    (#   3479:20  Unique         2.26, 3.45 A)
 &rst
  ixpk= 3479, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1098,1099,
 igr2= 199, 200, 201,
 &end
#
#    0 AMB  20-2:3480    14 ILE  QG2         3.50    (#   3480:20  Single Ambig)
 &rst
  ixpk= 3480, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 197, 112, 113,
 igr2= 199, 200, 201,
 &end
#
#    0 AMB  20-2:3481    14 ILE  QG2         3.50    (#   3481:20  Single Ambig)
 &rst
  ixpk= 3481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 203, 204, 237, 238,
 igr2= 199, 200, 201,
 &end
#
#   74 TYR  HA           14 ILE  QG2         7.00    (#   3483:20  Unique         3.49, 4.37 A)
 &rst
  ixpk= 3483, nxpk= 20, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 199, 200, 201,
 &end
#
#   14 ILE  HG1+         14 ILE  QG2         3.50    (#   3484:20  Unique         2.24, 3.50 A)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 203, 204,
 igr2= 199, 200, 201,
 &end
#
#   76 VAL  MGX          14 ILE  QG2         4.50    (#   3486:20  Unique         2.32, 5.56 A)
 &rst
  ixpk= 3486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 199, 200, 201,
 &end
#
#   16 ILE  HN           16 ILE  QD1         7.00    (#   3495:20  Unique         3.74, 5.03 A)
 &rst
  ixpk= 3495, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 240, 241, 242,
 &end
#
#   74 TYR  HE           16 ILE  QD1         7.00    (#   3497:20  Unique         6.41, 7.96 A)
 &rst
  ixpk= 3497, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1104,1109,
 igr2= 240, 241, 242,
 &end
#
#   16 ILE  HG1+         16 ILE  QD1         4.50    (#   3498:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 3498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 237, 238,
 igr2= 240, 241, 242,
 &end
#
#   16 ILE  QG2          16 ILE  QD1         4.50    (#   3500:20  Unique         2.23, 3.64 A)
 &rst
  ixpk= 3500, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 233, 234, 235,
 igr2= 240, 241, 242,
 &end
#
#    0 AMB  20-2:3504    16 ILE  QD1         5.50    (#   3504:20  Single Ambig)
 &rst
  ixpk= 3504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1044, 548, 549,
 igr2= 240, 241, 242,
 &end
#
#   74 TYR  HB-          16 ILE  QD1         5.50    (#   3505:20  Unique         2.15, 4.03 A)
 &rst
  ixpk= 3505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1098,1099,
 igr2= 240, 241, 242,
 &end
#
#    0 AMB  20-2:3506    16 ILE  QD1         5.50    (#   3506:20  Single Ambig)
 &rst
  ixpk= 3506, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1030, 231,
 igr2= 240, 241, 242,
 &end
#
#    0 AMB  20-2:3508    16 ILE  QD1         5.50    (#   3508:20  Single Ambig)
 &rst
  ixpk= 3508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 109, 110, 987,
 igr2= 240, 241, 242,
 &end
#
#    0 AMB  20-2:3516    34 ILE  HA          3.50    (#   3516:20  Single Ambig)
 &rst
  ixpk= 3516, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 544, 525,
 &end
#
#   62 ARG  HA           34 ILE  HA          2.80    (#   3517:20  Unique         2.04, 2.21 A)
 &rst
  ixpk= 3517, nxpk= 20, iat= 919, 527, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 ILE  HG1+         34 ILE  HA          4.50    (#   3519:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 3519, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#    0 AMB  20-2:3520    34 ILE  HA          4.50    (#   3520:20  Single Ambig)
 &rst
  ixpk= 3520, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 529, 924, 925,
 &end
#
#   34 ILE  HG1-         34 ILE  HA          3.50    (#   3521:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 3521, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 535, 536,
 &end
#
#   34 ILE  QG2          34 ILE  HA          3.50    (#   3522:20  Unique         2.70, 3.40 A)
 &rst
  ixpk= 3522, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 531, 532, 533,
 &end
#
#    0 AMB  20-2:3523    34 ILE  HA          3.50    (#   3523:20  Single Ambig)
 &rst
  ixpk= 3523, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 515, 516, 517, 519, 520, 521, 538, 539, 540, 885,
       886, 887, 889, 890, 891, 449, 450, 451,
 &end
#
#   35 HIS  HD2          34 ILE  HA          5.50    (#   3524:20  Unique         3.02, 3.68 A)
 &rst
  ixpk= 3524, nxpk= 20, iat= 557, 527, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 VAL  MGY          34 ILE  HA          5.50    (#   3525:20  Unique         3.66, 5.87 A)
 &rst
  ixpk= 3525, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HN           32 TYR  HA          3.50    (#   3528:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 3528, nxpk= 20, iat= 509, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 LEU  HN           32 TYR  HA          4.50    (#   3529:20  Unique         2.04, 2.27 A)
 &rst
  ixpk= 3529, nxpk= 20, iat= 980, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HN           32 TYR  HA          4.50    (#   3530:20  Unique         2.96, 2.97 A)
 &rst
  ixpk= 3530, nxpk= 20, iat= 488, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HB-          32 TYR  HA          4.50    (#   3532:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 3532, nxpk= 20, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 492, 493,
 &end
#
#   32 TYR  HB+          32 TYR  HA          4.50    (#   3533:20  Unique         2.47, 2.78 A)
 &rst
  ixpk= 3533, nxpk= 20, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 492, 493,
 &end
#
#   32 TYR  HD           32 TYR  HA          4.50    (#   3536:20  Unique         2.75, 3.48 A)
 &rst
  ixpk= 3536, nxpk= 20, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 496, 505,
 &end
#
#    0 AMB  20-2:3539    33 VAL  HA          5.50    (#   3539:20  Single Ambig)
 &rst
  ixpk= 3539, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 535, 536, 397, 398, 399,
 &end
#
#   33 VAL  HN           33 VAL  HA          4.50    (#   3540:20  Unique         2.94, 2.95 A)
 &rst
  ixpk= 3540, nxpk= 20, iat= 509, 511, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ILE  HN           33 VAL  HA          3.50    (#   3541:20  Unique         2.34, 2.40 A)
 &rst
  ixpk= 3541, nxpk= 20, iat= 525, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 ILE  HN           33 VAL  HA          4.50    (#   3542:20  Unique         2.36, 2.48 A)
 &rst
  ixpk= 3542, nxpk= 20, iat= 443, 511, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HA           33 VAL  HA          5.50    (#   3543:20  Unique         5.40, 5.50 A)
 &rst
  ixpk= 3543, nxpk= 20, iat= 405, 511, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 TYR  HA           33 VAL  HA          3.50    (#   3544:20  Unique         2.28, 2.41 A)
 &rst
  ixpk= 3544, nxpk= 20, iat= 424, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  HB           33 VAL  HA          3.50    (#   3546:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 3546, nxpk= 20, iat= 513, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 ILE  HG1+         33 VAL  HA          5.50    (#   3547:20  Unique         2.49, 3.15 A)
 &rst
  ixpk= 3547, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 453, 454,
 &end
#
#    0 AMB  20-2:3548    33 VAL  HA          3.50    (#   3548:20  Single Ambig)
 &rst
  ixpk= 3548, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
 &end
#
#   28 ILE  HG1-         33 VAL  HA          4.50    (#   3549:20  Unique         2.49, 3.15 A)
 &rst
  ixpk= 3549, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 453, 454,
 &end
#
#   33 VAL  MGY          33 VAL  HA          4.50    (#   3550:20  Unique         2.45, 3.46 A)
 &rst
  ixpk= 3550, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:3551    81 ASP  HA          4.50    (#   3551:20  Single Ambig)
 &rst
  ixpk= 3551, nxpk= 20, iat=  -1,1215, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1213,1278,
 &end
#
#   84 TYR  HN           81 ASP  HA          4.50    (#   3552:20  Unique         3.27, 3.65 A)
 &rst
  ixpk= 3552, nxpk= 20, iat=1257,1215, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 TYR  HE           81 ASP  HA          5.50    (#   3554:20  Unique         3.32, 6.17 A)
 &rst
  ixpk= 3554, nxpk= 20, iat=  -1,1215, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1267,1272,
 &end
#
#    0 AMB  20-2:3555    81 ASP  HA          3.50    (#   3555:20  Single Ambig)
 &rst
  ixpk= 3555, nxpk= 20, iat=  -1,1215, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1874,1875,1217,1218,1261,1262,
 &end
#
#   83 GLU  HN           81 ASP  HA          5.50    (#   3557:20  Unique         3.51, 3.80 A)
 &rst
  ixpk= 3557, nxpk= 20, iat=1242,1215, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   81 ASP  HB+          81 ASP  HA          3.50    (#   3559:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 3559, nxpk= 20, iat=  -1,1215, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1217,1218,
 &end
#
#   84 TYR  HB+          81 ASP  HA          5.50    (#   3560:20  Unique         2.36, 4.19 A)
 &rst
  ixpk= 3560, nxpk= 20, iat=  -1,1215, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1261,1262,
 &end
#
#   23 HIS  HN           22 GLU  HA          3.50    (#   3561:20  Unique         2.17, 2.37 A)
 &rst
  ixpk= 3561, nxpk= 20, iat= 352, 339, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 LEU  HN           22 GLU  HA          5.50    (#   3562:20  Unique         3.77, 4.89 A)
 &rst
  ixpk= 3562, nxpk= 20, iat= 290, 339, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ARG  HN           22 GLU  HA          4.50    (#   3563:20  Unique         1.98, 2.64 A)
 &rst
  ixpk= 3563, nxpk= 20, iat= 266, 339, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 GLU  HG+          22 GLU  HA          4.50    (#   3564:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 3564, nxpk= 20, iat=  -1, 339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 344, 345,
 &end
#
#   22 GLU  HB-          22 GLU  HA          4.50    (#   3565:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 3565, nxpk= 20, iat=  -1, 339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 341, 342,
 &end
#
#   22 GLU  HG-          22 GLU  HA          4.50    (#   3566:20  Unique         2.36, 3.07 A)
 &rst
  ixpk= 3566, nxpk= 20, iat=  -1, 339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 344, 345,
 &end
#
#    0 AMB  20-2:3567    22 GLU  HA          4.50    (#   3567:20  Single Ambig)
 &rst
  ixpk= 3567, nxpk= 20, iat=  -1, 339, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 270, 271, 341, 342, 273, 274,
 &end
#
#   25 ALA  HN           24 TRP  HA          3.50    (#   3568:20  Unique         2.23, 2.39 A)
 &rst
  ixpk= 3568, nxpk= 20, iat= 393, 371, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 ILE  HN           24 TRP  HA          5.50    (#   3570:20  Unique         2.39, 3.02 A)
 &rst
  ixpk= 3570, nxpk= 20, iat= 227, 371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:3572    24 TRP  HA          3.50    (#   3572:20  Single Ambig)
 &rst
  ixpk= 3572, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 214, 373, 374,
 &end
#
#   24 TRP  HB-          24 TRP  HA          4.50    (#   3573:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 3573, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 373, 374,
 &end
#
#   16 ILE  HG1+         24 TRP  HA          5.50    (#   3574:20  Unique         2.69, 4.15 A)
 &rst
  ixpk= 3574, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 237, 238,
 &end
#
#   24 TRP  HN           24 TRP  HA          5.50    (#   3576:20  Unique         2.93, 2.96 A)
 &rst
  ixpk= 3576, nxpk= 20, iat= 369, 371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   25 ALA  MB           24 TRP  HA          5.50    (#   3577:20  Unique         4.06, 4.69 A)
 &rst
  ixpk= 3577, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 397, 398, 399,
 &end
#
#   16 ILE  HG1-         24 TRP  HA          5.50    (#   3578:20  Unique         2.69, 4.15 A)
 &rst
  ixpk= 3578, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 237, 238,
 &end
#
#   75 ARG  HN           74 TYR  HA          3.50    (#   3579:20  Unique         2.23, 2.32 A)
 &rst
  ixpk= 3579, nxpk= 20, iat=1115,1096, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 PHE  HN           74 TYR  HA          4.50    (#   3580:20  Unique         2.37, 3.16 A)
 &rst
  ixpk= 3580, nxpk= 20, iat= 246,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 TYR  HN           74 TYR  HA          4.50    (#   3581:20  Unique         2.91, 2.95 A)
 &rst
  ixpk= 3581, nxpk= 20, iat=1094,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 PHE  HD           74 TYR  HA          7.00    (#   3582:20  Unique         3.60, 6.86 A)
 &rst
  ixpk= 3582, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 254, 262,
 &end
#
#   16 ILE  HA           74 TYR  HA          4.50    (#   3583:20  Unique         2.13, 2.23 A)
 &rst
  ixpk= 3583, nxpk= 20, iat= 229,1096, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:3584    74 TYR  HA          5.50    (#   3584:20  Single Ambig)
 &rst
  ixpk= 3584, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 250, 251,1087,1088,1076,1077,
 &end
#
#    0 AMB  20-2:3585    74 TYR  HA          3.50    (#   3585:20  Single Ambig)
 &rst
  ixpk= 3585, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1098,1099,1098,1099,
 &end
#
#   16 ILE  QG2          74 TYR  HA          5.50    (#   3587:20  Unique         2.94, 4.40 A)
 &rst
  ixpk= 3587, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 233, 234, 235,
 &end
#
#   14 ILE  QG2          74 TYR  HA          4.50    (#   3588:20  Unique         3.49, 4.37 A)
 &rst
  ixpk= 3588, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 199, 200, 201,
 &end
#
#   62 ARG  HN           61 LYS  HA          3.50    (#   3590:20  Unique         2.20, 2.32 A)
 &rst
  ixpk= 3590, nxpk= 20, iat= 917, 897, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 LYS  HB-          61 LYS  HA          4.50    (#   3593:20  Unique         2.46, 2.80 A)
 &rst
  ixpk= 3593, nxpk= 20, iat=  -1, 897, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 899, 900,
 &end
#
#    0 AMB  20-2:3595    61 LYS  HA          3.50    (#   3595:20  Single Ambig)
 &rst
  ixpk= 3595, nxpk= 20, iat=  -1, 897, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 899, 900, 905, 906,
 &end
#
#   61 LYS  HG-          61 LYS  HA          3.50    (#   3596:20  Unique         2.24, 2.85 A)
 &rst
  ixpk= 3596, nxpk= 20, iat=  -1, 897, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 902, 903,
 &end
#
#  100 VAL  MGY          61 LYS  HA          3.50    (#   3597:20  Unique         2.27, 3.73 A)
 &rst
  ixpk= 3597, nxpk= 20, iat=  -1, 897, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:3603     0 AMB  20-1:3603   3.50    (#   3603:20  Double Ambig)
 &rst
  ixpk= 3603, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 174, 895,
 igr2= 164, 897,
 &end
#
#    0 AMB  20-2:3605    12 ASP  HA          3.50    (#   3605:20  Single Ambig)
 &rst
  ixpk= 3605, nxpk= 20, iat=  -1, 164, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1178,1179,1178,1179,
 &end
#
#  104 MET  HN          103 LYS  HA          2.80    (#   3609:20  Unique         2.23, 2.33 A)
 &rst
  ixpk= 3609, nxpk= 20, iat=1580,1560, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 LYS  HN          103 LYS  HA          4.50    (#   3610:20  Unique         2.93, 2.97 A)
 &rst
  ixpk= 3610, nxpk= 20, iat=1558,1560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HA          103 LYS  HA          2.80    (#   3611:20  Unique         2.09, 2.26 A)
 &rst
  ixpk= 3611, nxpk= 20, iat= 866,1560, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:3617   103 LYS  HA          2.80    (#   3617:20  Single Ambig)
 &rst
  ixpk= 3617, nxpk= 20, iat=  -1,1560, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1562,1563, 868, 869,
 &end
#
#    0 AMB  20-2:3618   103 LYS  HA          4.50    (#   3618:20  Single Ambig)
 &rst
  ixpk= 3618, nxpk= 20, iat=  -1,1560, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1568,1569,1565,1566,
 &end
#
#  103 LYS  HG+         103 LYS  HA          4.50    (#   3619:20  Unique         2.35, 2.78 A)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1,1560, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1565,1566,
 &end
#
#   64 ARG  HN           63 GLU  HA          3.50    (#   3620:20  Unique         2.32, 2.41 A)
 &rst
  ixpk= 3620, nxpk= 20, iat= 956, 943, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 GLU  HN           63 GLU  HA          4.50    (#   3621:20  Unique         2.91, 2.96 A)
 &rst
  ixpk= 3621, nxpk= 20, iat= 941, 943, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HD           63 GLU  HA          4.50    (#   3622:20  Unique         3.52, 6.47 A)
 &rst
  ixpk= 3622, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 496, 505,
 &end
#
#   63 GLU  HG+          63 GLU  HA          3.50    (#   3623:20  Unique         2.65, 3.46 A)
 &rst
  ixpk= 3623, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 948, 949,
 &end
#
#    0 AMB  20-2:3624    63 GLU  HA          3.50    (#   3624:20  Single Ambig)
 &rst
  ixpk= 3624, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 945, 946, 948, 949,
 &end
#
#    0 AMB  20-2:3625    63 GLU  HA          4.50    (#   3625:20  Single Ambig)
 &rst
  ixpk= 3625, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 899, 900, 960, 961, 960, 961,
 &end
#
#   63 GLU  HB+          63 GLU  HA          3.50    (#   3626:20  Unique         2.31, 2.72 A)
 &rst
  ixpk= 3626, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 945, 946,
 &end
#
#    0 AMB  20-2:3628    63 GLU  HA          4.50    (#   3628:20  Single Ambig)
 &rst
  ixpk= 3628, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:3629    62 ARG  HA          5.50    (#   3629:20  Single Ambig)
 &rst
  ixpk= 3629, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 927, 928, 927, 928, 492, 493,
 &end
#
#   33 VAL  MGY          62 ARG  HA          7.00    (#   3630:20  Unique         4.27, 6.68 A)
 &rst
  ixpk= 3630, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:3631    62 ARG  HA          4.50    (#   3631:20  Single Ambig)
 &rst
  ixpk= 3631, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 544, 525,
 &end
#
#   62 ARG  HB-          62 ARG  HA          4.50    (#   3632:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 3632, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 921, 922,
 &end
#
#   34 ILE  HG1+         62 ARG  HA          4.50    (#   3633:20  Unique         2.13, 2.61 A)
 &rst
  ixpk= 3633, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#    0 AMB  20-2:3634    62 ARG  HA          3.50    (#   3634:20  Single Ambig)
 &rst
  ixpk= 3634, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 921, 922, 924, 925,
 &end
#
#   34 ILE  HG1-         62 ARG  HA          4.50    (#   3635:20  Unique         2.13, 2.61 A)
 &rst
  ixpk= 3635, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#   34 ILE  QG2          62 ARG  HA          5.50    (#   3636:20  Unique         3.80, 4.80 A)
 &rst
  ixpk= 3636, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 531, 532, 533,
 &end
#
#   63 GLU  HN           62 ARG  HA          3.50    (#   3637:20  Unique         2.24, 2.31 A)
 &rst
  ixpk= 3637, nxpk= 20, iat= 941, 919, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 ARG  HN           62 ARG  HA          4.50    (#   3638:20  Unique         2.93, 2.97 A)
 &rst
  ixpk= 3638, nxpk= 20, iat= 917, 919, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 ARG  HG+          62 ARG  HA          4.50    (#   3639:20  Unique         2.46, 2.92 A)
 &rst
  ixpk= 3639, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 924, 925,
 &end
#
#    0 AMB  20-2:3640    62 ARG  HA          4.50    (#   3640:20  Single Ambig)
 &rst
  ixpk= 3640, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 538, 539, 540, 515, 516, 517, 519, 520, 521, 885,
       886, 887, 889, 890, 891,
 &end
#
#   23 HIS  HN           23 HIS  HA          4.50    (#   3642:20  Unique         2.81, 2.92 A)
 &rst
  ixpk= 3642, nxpk= 20, iat= 352, 354, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 HIS  HB+          23 HIS  HA          4.50    (#   3643:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 3643, nxpk= 20, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 356, 357,
 &end
#
#   35 HIS  HN           35 HIS  HA          4.50    (#   3644:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 3644, nxpk= 20, iat= 544, 546, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  HN           35 HIS  HA          3.50    (#   3645:20  Unique         2.39, 2.52 A)
 &rst
  ixpk= 3645, nxpk= 20, iat= 561, 546, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HE           35 HIS  HA          4.50    (#   3646:20  Unique         2.15, 3.44 A)
 &rst
  ixpk= 3646, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1788,1792,
 &end
#
#   35 HIS  HB-          35 HIS  HA          3.50    (#   3648:20  Unique         2.24, 2.46 A)
 &rst
  ixpk= 3648, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 548, 549,
 &end
#
#    0 AMB  20-2:3649    35 HIS  HA          4.50    (#   3649:20  Single Ambig)
 &rst
  ixpk= 3649, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 407, 408,1804,1805,1806,1808,1809,1810,
 &end
#
#   25 ALA  MB           35 HIS  HA          4.50    (#   3650:20  Unique         3.42, 4.41 A)
 &rst
  ixpk= 3650, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 397, 398, 399,
 &end
#
#   34 ILE  QG2          35 HIS  HA          5.50    (#   3651:20  Unique         3.53, 4.61 A)
 &rst
  ixpk= 3651, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 531, 532, 533,
 &end
#
#    0 AMB  20-2:3652    35 HIS  HA          5.50    (#   3652:20  Single Ambig)
 &rst
  ixpk= 3652, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 9.14, r4= 9.89,
 igr1= 515, 516, 517, 519, 520, 521, 570, 571, 572, 574,
       575, 576, 240, 241, 242,1032,1033,1034,1036,1037,
      1038,
 &end
#
#    0 AMB  20-2:3653    23 HIS  HA          5.50    (#   3653:20  Single Ambig)
 &rst
  ixpk= 3653, nxpk= 20, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 324, 333,1735, 254, 262,
 &end
#
#   24 TRP  HN           23 HIS  HA          3.50    (#   3654:20  Unique         2.33, 2.58 A)
 &rst
  ixpk= 3654, nxpk= 20, iat= 369, 354, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 HIS  HB-          23 HIS  HA          4.50    (#   3656:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 3656, nxpk= 20, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 356, 357,
 &end
#
#   25 ALA  HA           35 HIS  HA          4.50    (#   3660:20  Unique         2.03, 2.48 A)
 &rst
  ixpk= 3660, nxpk= 20, iat= 395, 546, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:3661    35 HIS  HA          5.50    (#   3661:20  Single Ambig)
 &rst
  ixpk= 3661, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 885, 886, 887, 889, 890, 891, 565, 566, 515, 516,
       517, 519, 520, 521,
 &end
#
#   60 VAL  HN           59 GLU  HA          2.80    (#   3663:20  Unique         2.18, 2.23 A)
 &rst
  ixpk= 3663, nxpk= 20, iat= 879, 866, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:3665    59 GLU  HA          4.50    (#   3665:20  Single Ambig)
 &rst
  ixpk= 3665, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 864,1541,
 &end
#
#  103 LYS  HA           59 GLU  HA          2.80    (#   3666:20  Unique         2.09, 2.26 A)
 &rst
  ixpk= 3666, nxpk= 20, iat=1560, 866, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:3667    59 GLU  HA          5.50    (#   3667:20  Single Ambig)
 &rst
  ixpk= 3667, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 881, 801,
 &end
#
#    0 AMB  20-2:3668    59 GLU  HA          5.50    (#   3668:20  Single Ambig)
 &rst
  ixpk= 3668, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1587,1588, 883,
 &end
#
#   59 GLU  HG+          59 GLU  HA          3.50    (#   3669:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 3669, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 871, 872,
 &end
#
#   59 GLU  HB+          59 GLU  HA          2.80    (#   3670:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 3670, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 868, 869,
 &end
#
#  103 LYS  HG+          59 GLU  HA          4.50    (#   3672:20  Unique         2.61, 3.76 A)
 &rst
  ixpk= 3672, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1565,1566,
 &end
#
#   60 VAL  MGY          59 GLU  HA          4.50    (#   3673:20  Unique         3.62, 5.72 A)
 &rst
  ixpk= 3673, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   14 ILE  HN           13 LEU  HA          3.50    (#   3680:20  Unique         2.12, 2.23 A)
 &rst
  ixpk= 3680, nxpk= 20, iat= 193, 176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 LEU  HN           13 LEU  HA          4.50    (#   3681:20  Unique         2.94, 2.98 A)
 &rst
  ixpk= 3681, nxpk= 20, iat= 174, 176, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  HB-          13 LEU  HA          5.50    (#   3682:20  Unique         2.31, 2.55 A)
 &rst
  ixpk= 3682, nxpk= 20, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 178, 179,
 &end
#
#   13 LEU  MDX          13 LEU  HA          3.50    (#   3684:20  Unique         2.43, 4.52 A)
 &rst
  ixpk= 3684, nxpk= 20, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   14 ILE  HN           26 LEU  HA          5.50    (#   3687:20  Unique         3.17, 3.62 A)
 &rst
  ixpk= 3687, nxpk= 20, iat= 193, 405, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HN           26 LEU  HA          4.50    (#   3688:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 3688, nxpk= 20, iat= 403, 405, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  HA           26 LEU  HA          4.50    (#   3689:20  Unique         2.10, 2.40 A)
 &rst
  ixpk= 3689, nxpk= 20, iat= 176, 405, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HB-          26 LEU  HA          4.50    (#   3690:20  Unique         2.48, 2.79 A)
 &rst
  ixpk= 3690, nxpk= 20, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 407, 408,
 &end
#
#    0 AMB  20-2:3691    26 LEU  HA          3.50    (#   3691:20  Single Ambig)
 &rst
  ixpk= 3691, nxpk= 20, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 412, 413, 414, 416, 417, 418, 203, 204,
 &end
#
#   13 LEU  MDX          26 LEU  HA          4.50    (#   3693:20  Unique         3.80, 6.15 A)
 &rst
  ixpk= 3693, nxpk= 20, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   26 LEU  MDX          26 LEU  HA          3.50    (#   3694:20  Unique         2.24, 3.47 A)
 &rst
  ixpk= 3694, nxpk= 20, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 412, 413, 414, 416, 417, 418,
 &end
#
#   27 TYR  HN           26 LEU  HA          3.50    (#   3695:20  Unique         2.18, 2.23 A)
 &rst
  ixpk= 3695, nxpk= 20, iat= 422, 405, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 ASN  HB-          56 ASN  HA          2.80    (#   3697:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 3697, nxpk= 20, iat=  -1, 831, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 833, 834,
 &end
#
#   10 PRO  HD+           9 LYS  HA          2.80    (#   3701:20  Unique         2.27, 2.53 A)
 &rst
  ixpk= 3701, nxpk= 20, iat=  -1, 121, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 142, 143,
 &end
#
#   10 PRO  HD-           9 LYS  HA          3.50    (#   3703:20  Unique         2.27, 2.53 A)
 &rst
  ixpk= 3703, nxpk= 20, iat=  -1, 121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 142, 143,
 &end
#
#    0 AMB  20-2:3705     9 LYS  HA          2.80    (#   3705:20  Single Ambig)
 &rst
  ixpk= 3705, nxpk= 20, iat=  -1, 121, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 123, 124, 123, 124,
 &end
#
#    9 LYS  HG+           9 LYS  HA          3.50    (#   3706:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 3706, nxpk= 20, iat=  -1, 121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 126, 127,
 &end
#
#   78 ASN  HN           78 ASN  HA          4.50    (#   3709:20  Unique         2.21, 2.87 A)
 &rst
  ixpk= 3709, nxpk= 20, iat=1169,1171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 SER  HN           78 ASN  HA          3.50    (#   3710:20  Unique         2.94, 3.34 A)
 &rst
  ixpk= 3710, nxpk= 20, iat=1183,1171, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ASN  HD2-         78 ASN  HA          5.50    (#   3711:20  Unique         2.47, 3.96 A)
 &rst
  ixpk= 3711, nxpk= 20, iat=  -1,1171, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#   78 ASN  HB-          78 ASN  HA          3.50    (#   3713:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 3713, nxpk= 20, iat=  -1,1171, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1173,1174,
 &end
#
#   78 ASN  HB+          78 ASN  HA          4.50    (#   3714:20  Unique         2.37, 2.68 A)
 &rst
  ixpk= 3714, nxpk= 20, iat=  -1,1171, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1173,1174,
 &end
#
#   13 LEU  MDY          78 ASN  HA          3.50    (#   3715:20  Unique         2.26, 4.24 A)
 &rst
  ixpk= 3715, nxpk= 20, iat=  -1,1171, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   77 ASN  HN           77 ASN  HA          4.50    (#   3718:20  Unique         2.80, 2.94 A)
 &rst
  ixpk= 3718, nxpk= 20, iat=1155,1157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ASN  HN           77 ASN  HA          3.50    (#   3719:20  Unique         2.13, 2.60 A)
 &rst
  ixpk= 3719, nxpk= 20, iat=1169,1157, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ASN  HB+          77 ASN  HA          4.50    (#   3724:20  Unique         2.38, 2.78 A)
 &rst
  ixpk= 3724, nxpk= 20, iat=  -1,1157, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1159,1160,
 &end
#
#   26 LEU  HN           25 ALA  HA          3.50    (#   3728:20  Unique         2.34, 2.43 A)
 &rst
  ixpk= 3728, nxpk= 20, iat= 403, 395, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:3732    25 ALA  HA          4.50    (#   3732:20  Single Ambig)
 &rst
  ixpk= 3732, nxpk= 20, iat=  -1, 395, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 407, 408,1804,1805,1806,1808,1809,1810,
 &end
#
#   25 ALA  MB           25 ALA  HA          3.50    (#   3733:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 3733, nxpk= 20, iat=  -1, 395, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 397, 398, 399,
 &end
#
#    0 AMB  20-2:3752    28 ILE  QD1         3.50    (#   3752:20  Single Ambig)
 &rst
  ixpk= 3752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 924, 925, 921, 922,
 igr2= 456, 457, 458,
 &end
#
#   26 LEU  HN           14 ILE  QD1         7.00    (#   3753:20  Unique         3.71, 5.22 A)
 &rst
  ixpk= 3753, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:3754    14 ILE  QD1         7.00    (#   3754:20  Single Ambig)
 &rst
  ixpk= 3754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 393, 119,
 igr2= 206, 207, 208,
 &end
#
#    8 PRO  HA           14 ILE  QD1         5.50    (#   3755:20  Unique         4.59, 5.46 A)
 &rst
  ixpk= 3755, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:3758    92 ILE  HA          5.50    (#   3758:20  Single Ambig)
 &rst
  ixpk= 3758, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1443,1454,
 &end
#
#  116 PHE  HB-         113 CYS  HA          7.00    (#   3763:20  Unique         2.28, 3.33 A)
 &rst
  ixpk= 3763, nxpk= 20, iat=  -1,1737, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1782,1783,
 &end
#
#    0 AMB  20-2:3765    16 ILE  HA          4.50    (#   3765:20  Single Ambig)
 &rst
  ixpk= 3765, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1125,1126,1076,1077,
 &end
#
#   99 MET  HN           97 LYS  HA          5.50    (#   3767:20  Unique         4.01, 4.14 A)
 &rst
  ixpk= 3767, nxpk= 20, iat=1501,1466, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 GLU  HB-          90 GLU  HA          2.80    (#   3768:20  Unique         2.40, 2.66 A)
 &rst
  ixpk= 3768, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1367,1368,
 &end
#
#    0 AMB  20-2:3771   114 GLU  HA          3.50    (#   3771:20  Single Ambig)
 &rst
  ixpk= 3771, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1804,1805,1806,1808,1809,1810,1750,1751,
 &end
#
#   64 ARG  HD-          64 ARG  HA          7.00    (#   3774:20  Unique         2.11, 4.37 A)
 &rst
  ixpk= 3774, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 966, 967,
 &end
#
#    0 AMB  20-2:3781    15 GLU  HA          7.00    (#   3781:20  Single Ambig)
 &rst
  ixpk= 3781, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1= 237, 238, 199, 200, 201,
 &end
#
#   67 ASP  HA           70 GLY  HA+         7.00    (#   3786:20  Unique         3.65, 4.69 A)
 &rst
  ixpk= 3786, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1060,1061,
 &end
#
#    0 AMB  20-2:3789    26 LEU  HB-         7.00    (#   3789:20  Single Ambig)
 &rst
  ixpk= 3789, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1= 531, 532, 533, 183, 184, 185, 187, 188, 189,
 igr2= 407, 408,
 &end
#
#   13 LEU  MDX          26 LEU  HB+         7.00    (#   3790:20  Unique         3.68, 7.16 A)
 &rst
  ixpk= 3790, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 407, 408,
 &end
#
#  102 GLN  HA          101 GLY  HA-         7.00    (#   3792:20  Unique         4.38, 4.65 A)
 &rst
  ixpk= 3792, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1536,1537,
 &end
#
#   13 LEU  HG           13 LEU  HB-         5.50    (#   3794:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 3794, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#  113 CYS  HA          116 PHE  HB-         5.50    (#   3801:20  Unique         2.28, 3.33 A)
 &rst
  ixpk= 3801, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1782,1783,
 &end
#
#   63 GLU  HG+          61 LYS  HB-         7.00    (#   3806:20  Unique         3.56, 5.10 A)
 &rst
  ixpk= 3806, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 948, 949,
 igr2= 899, 900,
 &end
#
#   84 TYR  HE           83 GLU  HG+         5.50    (#   3809:20  Unique         4.03, 6.37 A)
 &rst
  ixpk= 3809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1267,1272,
 igr2=1249,1250,
 &end
#
#   33 VAL  HN           33 VAL  HB          7.00    (#   3810:20  Unique         3.56, 3.67 A)
 &rst
  ixpk= 3810, nxpk= 20, iat= 509, 513, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:3812    33 VAL  HB          5.50    (#   3812:20  Single Ambig)
 &rst
  ixpk= 3812, nxpk= 20, iat=  -1, 513, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:3814     0 AMB  20-1:3814   7.00    (#   3814:20  Double Ambig)
 &rst
  ixpk= 3814, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.53, r4=12.28,
 igr1= 565, 566, 233, 234, 235,
 igr2= 356, 357, 356, 357,
 &end
#
#   77 ASN  HD2-         82 HIS  HB+         7.00    (#   3824:20  Unique         5.49, 8.74 A)
 &rst
  ixpk= 3824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1164,1165,
 igr2=1229,1230,
 &end
#
#   69 VAL  HA           72 CYS  HB+         7.00    (#   3830:20  Unique         2.83, 4.09 A)
 &rst
  ixpk= 3830, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1076,1077,
 &end
#
#    0 AMB  20-2:3831     0 AMB  20-1:3831   7.00    (#   3831:20  Double Ambig)
 &rst
  ixpk= 3831, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.34, r4=14.09,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2=1076,1077,1076,1077,
 &end
#
#    0 AMB  20-2:3836    34 ILE  HG1-        7.00    (#   3836:20  Single Ambig)
 &rst
  ixpk= 3836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
 igr1= 456, 457, 458, 453, 454,
 igr2= 535, 536,
 &end
#
#   10 PRO  HA            9 LYS  HD-         7.00    (#   3837:20  Unique         6.69, 7.66 A)
 &rst
  ixpk= 3837, nxpk= 20, iat= 151,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 129, 130,
 &end
#
#    0 AMB  20-2:3838     9 LYS  HD-         7.00    (#   3838:20  Single Ambig)
 &rst
  ixpk= 3838, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1141, 195, 464, 465,
 igr2= 129, 130,
 &end
#
#   64 ARG  HB+          64 ARG  HG-         3.50    (#   3840:20  Unique         2.28, 2.74 A)
 &rst
  ixpk= 3840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 960, 961,
 igr2= 963, 964,
 &end
#
#   16 ILE  HB           16 ILE  HG1-        7.00    (#   3841:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 3841, nxpk= 20, iat= 231,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 237, 238,
 &end
#
#   32 TYR  HD           62 ARG  HG-         7.00    (#   3842:20  Unique         2.24, 5.55 A)
 &rst
  ixpk= 3842, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 496, 505,
 igr2= 924, 925,
 &end
#
#   64 ARG  HD+          64 ARG  HG+         4.50    (#   3844:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 3844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 966, 967,
 igr2= 963, 964,
 &end
#
#   59 GLU  HG+          61 LYS  HG-         7.00    (#   3847:20  Unique         2.31, 4.01 A)
 &rst
  ixpk= 3847, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 871, 872,
 igr2= 902, 903,
 &end
#
#    0 AMB  20-2:3848    65 LEU  MDX         4.50    (#   3848:20  Single Ambig)
 &rst
  ixpk= 3848, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1102,1111,1014, 496, 505,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   62 ARG  HA          100 VAL  MGX         7.00    (#   3854:20  Unique         3.77, 5.19 A)
 &rst
  ixpk= 3854, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  101 GLY  HA-         100 VAL  MGX         7.00    (#   3859:20  Unique         3.30, 5.65 A)
 &rst
  ixpk= 3859, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1536,1537,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   26 LEU  HA           33 VAL  MGX         7.00    (#   3862:20  Unique         4.06, 6.60 A)
 &rst
  ixpk= 3862, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:3867    69 VAL  MGY         7.00    (#   3867:20  Single Ambig)
 &rst
  ixpk= 3867, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1085,  92,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#  116 PHE  HD           35 HIS  HA          7.00    (#   3889:20  Unique         4.02, 5.02 A)
 &rst
  ixpk= 3889, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1786,1794,
 &end
#
#   12 ASP  HA           78 ASN  HB+         7.00    (#   3902:20  Unique         2.24, 4.88 A)
 &rst
  ixpk= 3902, nxpk= 20, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1173,1174,
 &end
#
#   12 ASP  HA           78 ASN  HB-         7.00    (#   3903:20  Unique         2.24, 4.88 A)
 &rst
  ixpk= 3903, nxpk= 20, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1173,1174,
 &end
#
#   76 VAL  MGY          78 ASN  HB+         7.00    (#   3905:20  Unique         2.62, 7.10 A)
 &rst
  ixpk= 3905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2=1173,1174,
 &end
#
#  120 LEU  HN          119 GLN  HG+         7.00    (#   3912:20  Unique         2.76, 4.64 A)
 &rst
  ixpk= 3912, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1835,1836,
 &end
#
#   36 LEU  HN           35 HIS  HB+         7.00    (#   3914:20  Unique         2.22, 3.17 A)
 &rst
  ixpk= 3914, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 548, 549,
 &end
#
#   36 LEU  HN           35 HIS  HB-         7.00    (#   3915:20  Unique         2.22, 3.17 A)
 &rst
  ixpk= 3915, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 548, 549,
 &end
#
#    0 AMB  20-2:3916    35 HIS  HB-         7.00    (#   3916:20  Single Ambig)
 &rst
  ixpk= 3916, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2= 548, 549,
 &end
#
#    0 AMB  20-2:3917    35 HIS  HB-         7.00    (#   3917:20  Single Ambig)
 &rst
  ixpk= 3917, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2= 548, 549,
 &end
#
#   16 ILE  HN           15 GLU  HG+         7.00    (#   3918:20  Unique         2.78, 3.60 A)
 &rst
  ixpk= 3918, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 219, 220,
 &end
#
#   16 ILE  HN           15 GLU  HG-         7.00    (#   3919:20  Unique         2.78, 3.60 A)
 &rst
  ixpk= 3919, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 219, 220,
 &end
#
#   61 LYS  HE+          61 LYS  HB+         7.00    (#   3923:20  Unique         2.12, 3.68 A)
 &rst
  ixpk= 3923, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 908, 909,
 igr2= 899, 900,
 &end
#
#   61 LYS  HE+          61 LYS  HB-         7.00    (#   3924:20  Unique         2.12, 3.68 A)
 &rst
  ixpk= 3924, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 908, 909,
 igr2= 899, 900,
 &end
#
#   17 PHE  HD           22 GLU  HG-         5.50    (#   3925:20  Unique         2.34, 4.90 A)
 &rst
  ixpk= 3925, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 254, 262,
 igr2= 344, 345,
 &end
#
#   23 HIS  HN           22 GLU  HG-         7.00    (#   3926:20  Unique         2.77, 4.46 A)
 &rst
  ixpk= 3926, nxpk= 20, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 344, 345,
 &end
#
#   77 ASN  HD2+         77 ASN  HB-         7.00    (#   3930:20  Unique         2.27, 3.47 A)
 &rst
  ixpk= 3930, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   77 ASN  HN           77 ASN  HB-         7.00    (#   3931:20  Unique         2.49, 3.11 A)
 &rst
  ixpk= 3931, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1159,1160,
 &end
#
#   24 TRP  HZ3          77 ASN  HB+         7.00    (#   3937:20  Unique         2.29, 6.74 A)
 &rst
  ixpk= 3937, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1159,1160,
 &end
#
#   91 VAL  HN           92 ILE  HB          7.00    (#   3938:20  Unique         4.51, 4.90 A)
 &rst
  ixpk= 3938, nxpk= 20, iat=1378,1398, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   18 ARG  HN           22 GLU  HG-         7.00    (#   3939:20  Unique         1.75, 3.63 A)
 &rst
  ixpk= 3939, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 344, 345,
 &end
#
#    0 AMB  20-2:3940     0 AMB  20-1:3940   7.00    (#   3940:20  Double Ambig)
 &rst
  ixpk= 3940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 316, 652, 661,
 igr2= 320, 321, 320, 321,
 &end
#
#    0 AMB  20-2:3941     0 AMB  20-1:3941   7.00    (#   3941:20  Double Ambig)
 &rst
  ixpk= 3941, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1169, 212,
 igr2=1159,1160,1159,1160,
 &end
#
#   63 GLU  HN           63 GLU  HG-         7.00    (#   3943:20  Unique         2.64, 3.86 A)
 &rst
  ixpk= 3943, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 948, 949,
 &end
#
#   53 VAL  MGY          56 ASN  HB-         7.00    (#   3952:20  Unique         4.94,10.21 A)
 &rst
  ixpk= 3952, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 789, 790, 791, 793, 794, 795,
 igr2= 833, 834,
 &end
#
#   20 GLY  HN           19 LEU  HB-         7.00    (#   3954:20  Unique         2.01, 4.17 A)
 &rst
  ixpk= 3954, nxpk= 20, iat= 309,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 294, 295,
 &end
#
#   16 ILE  HA           16 ILE  HB          7.00    (#   3958:20  Unique         3.00, 3.04 A)
 &rst
  ixpk= 3958, nxpk= 20, iat= 229, 231, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:3959     0 AMB  20-1:3959   7.00    (#   3959:20  Double Ambig)
 &rst
  ixpk= 3959, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 356, 357, 320, 321,
 igr2= 231, 294, 295,
 &end
#
#  113 CYS  HA           36 LEU  HB-         7.00    (#   3963:20  Unique         2.90, 4.60 A)
 &rst
  ixpk= 3963, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 565, 566,
 &end
#
#   36 LEU  HA           36 LEU  HB-         7.00    (#   3964:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 3964, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 565, 566,
 &end
#
#  121 ARG  HN          120 LEU  HB-         7.00    (#   3965:20  Unique         2.36, 2.96 A)
 &rst
  ixpk= 3965, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1849,1850,
 &end
#
#  121 ARG  HN          120 LEU  HB+         7.00    (#   3966:20  Unique         2.36, 2.96 A)
 &rst
  ixpk= 3966, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1849,1850,
 &end
#
#    9 LYS  HN           12 ASP  HB+         7.00    (#   3967:20  Unique         1.91, 2.49 A)
 &rst
  ixpk= 3967, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 166, 167,
 &end
#
#   87 ARG  HN           87 ARG  HD-         5.50    (#   3974:20  Unique         2.87, 4.66 A)
 &rst
  ixpk= 3974, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1319,1320,
 &end
#
#   87 ARG  HN           87 ARG  HD+         7.00    (#   3975:20  Unique         2.87, 4.66 A)
 &rst
  ixpk= 3975, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1319,1320,
 &end
#
#   34 ILE  HN           26 LEU  HB+         7.00    (#   3977:20  Unique         2.95, 3.93 A)
 &rst
  ixpk= 3977, nxpk= 20, iat= 525,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 407, 408,
 &end
#
#   34 ILE  HN           26 LEU  HB-         7.00    (#   3978:20  Unique         2.95, 3.93 A)
 &rst
  ixpk= 3978, nxpk= 20, iat= 525,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 407, 408,
 &end
#
#    0 AMB  20-2:3980    26 LEU  HB-         7.00    (#   3980:20  Single Ambig)
 &rst
  ixpk= 3980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1802,1505,1506,
 igr2= 407, 408,
 &end
#
#   36 LEU  HN           37 ALA  HA          7.00    (#   3985:20  Unique         4.71, 4.89 A)
 &rst
  ixpk= 3985, nxpk= 20, iat= 561, 582, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   23 HIS  HE1          37 ALA  HA          7.00    (#   3986:20  Unique         3.67, 6.28 A)
 &rst
  ixpk= 3986, nxpk= 20, iat= 362, 582, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   74 TYR  HH            8 PRO  HD-         5.50    (#   3991:20  Unique         3.21, 4.06 A)
 &rst
  ixpk= 3991, nxpk= 20, iat=1107,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 106, 107,
 &end
#
#   29 GLY  HN           10 PRO  HD+         7.00    (#   3994:20  Unique         5.68, 6.54 A)
 &rst
  ixpk= 3994, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 142, 143,
 &end
#
#   25 ALA  HN           15 GLU  HA          7.00    (#   4000:20  Unique         3.60, 3.87 A)
 &rst
  ixpk= 4000, nxpk= 20, iat= 393, 214, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   24 TRP  HD1          24 TRP  HA          7.00    (#   4001:20  Unique         3.11, 3.57 A)
 &rst
  ixpk= 4001, nxpk= 20, iat= 377, 371, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  117 VAL  HN          114 GLU  HA          7.00    (#   4004:20  Unique         3.32, 3.51 A)
 &rst
  ixpk= 4004, nxpk= 20, iat=1798,1748, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  115 HIS  HN          114 GLU  HA          7.00    (#   4005:20  Unique         3.57, 3.60 A)
 &rst
  ixpk= 4005, nxpk= 20, iat=1761,1748, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   69 VAL  HN           65 LEU  HA          7.00    (#   4006:20  Unique         3.74, 3.80 A)
 &rst
  ixpk= 4006, nxpk= 20, iat=1042, 982, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   69 VAL  HN           66 GLU  HA          4.50    (#   4007:20  Unique         3.33, 3.46 A)
 &rst
  ixpk= 4007, nxpk= 20, iat=1042,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 ASP  HN           65 LEU  HA          5.50    (#   4008:20  Unique         3.85, 4.16 A)
 &rst
  ixpk= 4008, nxpk= 20, iat=1014, 982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 VAL  HN           89 VAL  HA          7.00    (#   4014:20  Unique         4.21, 4.41 A)
 &rst
  ixpk= 4014, nxpk= 20, iat=1378,1349, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   25 ALA  HN          117 VAL  MGY         7.00    (#   4023:20  Unique         3.68, 5.51 A)
 &rst
  ixpk= 4023, nxpk= 20, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  20-2:4025   113 CYS  HB-         7.00    (#   4025:20  Single Ambig)
 &rst
  ixpk= 4025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 561, 352,
 igr2=1739,1740,
 &end
#
#   24 TRP  HN          113 CYS  HB-         7.00    (#   4026:20  Unique         1.84, 4.12 A)
 &rst
  ixpk= 4026, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1739,1740,
 &end
#
#   93 ILE  HA           26 LEU  HG          5.50    (#   4027:20  Unique         4.29, 4.91 A)
 &rst
  ixpk= 4027, nxpk= 20, iat=1415, 410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 GLY  HA+          26 LEU  HG          7.00    (#   4028:20  Unique         4.47, 5.42 A)
 &rst
  ixpk= 4028, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 157, 158,
 &end
#
#   26 LEU  HN           26 LEU  HG          7.00    (#   4030:20  Unique         4.76, 4.84 A)
 &rst
  ixpk= 4030, nxpk= 20, iat= 403, 410, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:4031    26 LEU  HG          7.00    (#   4031:20  Single Ambig)
 &rst
  ixpk= 4031, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 525, 174, 544,
 &end
#
#   59 GLU  HA           60 VAL  HB          7.00    (#   4034:20  Unique         4.61, 4.72 A)
 &rst
  ixpk= 4034, nxpk= 20, iat= 866, 883, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   23 HIS  HN           22 GLU  HB-         7.00    (#   4036:20  Unique         2.43, 3.37 A)
 &rst
  ixpk= 4036, nxpk= 20, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 341, 342,
 &end
#
#   90 GLU  HN           88 PRO  HB-         7.00    (#   4037:20  Unique         3.78, 4.72 A)
 &rst
  ixpk= 4037, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1340,1341,
 &end
#
#   88 PRO  HD-          88 PRO  HB-         7.00    (#   4038:20  Unique         2.75, 3.70 A)
 &rst
  ixpk= 4038, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#   88 PRO  HD+          88 PRO  HB-         7.00    (#   4039:20  Unique         2.75, 3.70 A)
 &rst
  ixpk= 4039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#   25 ALA  HN           24 TRP  HB+         7.00    (#   4040:20  Unique         2.22, 3.15 A)
 &rst
  ixpk= 4040, nxpk= 20, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#   75 ARG  HN           75 ARG  HB-         7.00    (#   4041:20  Unique         2.65, 3.33 A)
 &rst
  ixpk= 4041, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1119,1120,
 &end
#
#   24 TRP  HD1          24 TRP  HB+         7.00    (#   4042:20  Unique         2.52, 3.31 A)
 &rst
  ixpk= 4042, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#   24 TRP  HN           24 TRP  HB+         7.00    (#   4043:20  Unique         2.40, 3.19 A)
 &rst
  ixpk= 4043, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#    0 AMB  20-2:4046     0 AMB  20-1:4046   7.00    (#   4046:20  Double Ambig)
 &rst
  ixpk= 4046, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1782,1783,1748,
 igr2= 373, 374, 373, 374,
 &end
#
#    0 AMB  20-2:4047    23 HIS  HB-         7.00    (#   4047:20  Single Ambig)
 &rst
  ixpk= 4047, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
 igr1= 565, 566, 233, 234, 235,
 igr2= 356, 357,
 &end
#
#    0 AMB  20-2:4048    23 HIS  HB-         7.00    (#   4048:20  Single Ambig)
 &rst
  ixpk= 4048, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 369, 365,
 igr2= 356, 357,
 &end
#
#    0 AMB  20-2:4056     0 AMB  20-1:4056   7.00    (#   4056:20  Double Ambig)
 &rst
  ixpk= 4056, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 883,1505,1506,
 igr2=1536,1537,1536,1537,
 &end
#
#    0 AMB  20-2:4061    30 ASP  HA          4.50    (#   4061:20  Single Ambig)
 &rst
  ixpk= 4061, nxpk= 20, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 123, 124, 123, 124, 148, 149,1046,
 &end
#
#    0 AMB  20-2:4063     0 AMB  20-1:4063   7.00    (#   4063:20  Double Ambig)
 &rst
  ixpk= 4063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 365, 496, 505,
 igr2= 273, 274, 924, 925,
 &end
#
#   97 LYS  HN           98 GLU  HB-         7.00    (#   4074:20  Unique         4.69, 5.54 A)
 &rst
  ixpk= 4074, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1490,1491,
 &end
#
#   19 LEU  HN           18 ARG  HB+         5.50    (#   4076:20  Unique         1.81, 2.57 A)
 &rst
  ixpk= 4076, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 270, 271,
 &end
#
#   18 ARG  HN           18 ARG  HB+         5.50    (#   4077:20  Unique         2.12, 3.15 A)
 &rst
  ixpk= 4077, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 270, 271,
 &end
#
#  121 ARG  HN          121 ARG  HB-         7.00    (#   4078:20  Unique         2.14, 3.14 A)
 &rst
  ixpk= 4078, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1868,1869,
 &end
#
#  121 ARG  HN          121 ARG  HB+         5.50    (#   4079:20  Unique         2.14, 3.14 A)
 &rst
  ixpk= 4079, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1868,1869,
 &end
#
#   18 ARG  HN           18 ARG  HB-         7.00    (#   4080:20  Unique         2.12, 3.15 A)
 &rst
  ixpk= 4080, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 270, 271,
 &end
#
#  115 HIS  HN          114 GLU  HB+         7.00    (#   4081:20  Unique         2.55, 3.22 A)
 &rst
  ixpk= 4081, nxpk= 20, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1750,1751,
 &end
#
#   96 ALA  HN          120 LEU  MDY         7.00    (#   4083:20  Unique         3.23, 5.30 A)
 &rst
  ixpk= 4083, nxpk= 20, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   90 GLU  HA           93 ILE  HG1-        7.00    (#   4115:20  Unique         2.44, 3.83 A)
 &rst
  ixpk= 4115, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1423,1424,
 &end
#
#  112 ASN  HB-         112 ASN  HA          3.50    (#   4118:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 4118, nxpk= 20, iat=  -1,1723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1725,1726,
 &end
#
#  112 ASN  HB+         112 ASN  HA          3.50    (#   4119:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 4119, nxpk= 20, iat=  -1,1723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1725,1726,
 &end
#
#    0 AMB  20-2:4120   112 ASN  HA          4.50    (#   4120:20  Single Ambig)
 &rst
  ixpk= 4120, nxpk= 20, iat=  -1,1723, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1782,1783, 605, 606,
 &end
#
#  107 SER  HB-         112 ASN  HA          3.50    (#   4121:20  Unique         2.46, 5.93 A)
 &rst
  ixpk= 4121, nxpk= 20, iat=  -1,1723, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#   85 GLN  HB+          85 GLN  HA          2.80    (#   4160:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 4160, nxpk= 20, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1282,1283,
 &end
#
#   85 GLN  HG+          85 GLN  HA          4.50    (#   4161:20  Unique         2.21, 3.51 A)
 &rst
  ixpk= 4161, nxpk= 20, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1285,1286,
 &end
#
#   86 PRO  HD-          85 GLN  HA          3.50    (#   4162:20  Unique         2.14, 2.53 A)
 &rst
  ixpk= 4162, nxpk= 20, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1296,1297,
 &end
#
#   86 PRO  HD+          85 GLN  HA          3.50    (#   4163:20  Unique         2.14, 2.53 A)
 &rst
  ixpk= 4163, nxpk= 20, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1296,1297,
 &end
#
#   16 ILE  HN           16 ILE  HG1-        5.50    (#   4176:20  Unique         2.59, 3.36 A)
 &rst
  ixpk= 4176, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 237, 238,
 &end
#
#    0 AMB  20-2:4178    16 ILE  HG1-        7.00    (#   4178:20  Single Ambig)
 &rst
  ixpk= 4178, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1098,1099,1098,1099,
 igr2= 237, 238,
 &end
#
#   94 SER  HN           93 ILE  HG1+        5.50    (#   4220:20  Unique         4.13, 4.71 A)
 &rst
  ixpk= 4220, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1423,1424,
 &end
#
#   94 SER  HN           93 ILE  HG1-        7.00    (#   4221:20  Unique         4.13, 4.71 A)
 &rst
  ixpk= 4221, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1423,1424,
 &end
#
#   90 GLU  HA           93 ILE  HG1+        5.50    (#   4222:20  Unique         2.44, 3.83 A)
 &rst
  ixpk= 4222, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1423,1424,
 &end
#
#   95 SER  HB-          92 ILE  HA          4.50    (#   4223:20  Unique         2.16, 3.15 A)
 &rst
  ixpk= 4223, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1447,1448,
 &end
#
#    0 AMB  20-2:4224    92 ILE  HA          4.50    (#   4224:20  Single Ambig)
 &rst
  ixpk= 4224, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1415,1349,
 &end
#
#   92 ILE  HG1-         92 ILE  HA          3.50    (#   4225:20  Unique         2.29, 3.27 A)
 &rst
  ixpk= 4225, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#   61 LYS  HA          100 VAL  HA          7.00    (#   4226:20  Unique         3.64, 3.84 A)
 &rst
  ixpk= 4226, nxpk= 20, iat= 897,1520, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:4227     0 AMB  20-1:4227   4.50    (#   4227:20  Double Ambig)
 &rst
  ixpk= 4227, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1816,1911,1912,
 igr2=1942,1943,1942,1943,
 &end
#
#   93 ILE  QD1          10 PRO  HA          3.50    (#   4228:20  Unique         2.78, 4.13 A)
 &rst
  ixpk= 4228, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1426,1427,1428,
 &end
#
#    0 AMB  20-2:4229    10 PRO  HA          5.50    (#   4229:20  Single Ambig)
 &rst
  ixpk= 4229, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 129, 130,1370,1371,  97,  98,  97,  98,
 &end
#
#   76 VAL  MGX          76 VAL  HA          4.50    (#   4230:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 4230, nxpk= 20, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   28 ILE  QD1          28 ILE  HA          5.50    (#   4231:20  Unique         4.53, 5.01 A)
 &rst
  ixpk= 4231, nxpk= 20, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 456, 457, 458,
 &end
#
#   60 VAL  MGY         104 MET  HG-         5.50    (#   4232:20  Unique         2.96, 6.28 A)
 &rst
  ixpk= 4232, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1587,1588,
 &end
#
#   60 VAL  MGY         104 MET  HG+         5.50    (#   4233:20  Unique         2.96, 6.28 A)
 &rst
  ixpk= 4233, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1587,1588,
 &end
#
#   23 HIS  HN           22 GLU  HB+         7.00    (#   4234:20  Unique         2.43, 3.37 A)
 &rst
  ixpk= 4234, nxpk= 20, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 341, 342,
 &end
#
#    0 AMB  20-2:4235     0 AMB  20-1:4235   7.00    (#   4235:20  Double Ambig)
 &rst
  ixpk= 4235, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1014, 369,1102,1111,
 igr2=1030, 341, 342,
 &end
#
#   76 VAL  MGX          76 VAL  HB          3.50    (#   4236:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 4236, nxpk= 20, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   86 PRO  HB+          86 PRO  HA          3.50    (#   4237:20  Unique         2.26, 2.55 A)
 &rst
  ixpk= 4237, nxpk= 20, iat=  -1,1305, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1302,1303,
 &end
#
#   55 SER  HA           39 PRO  HB+         5.50    (#   4238:20  Unique         4.48, 8.59 A)
 &rst
  ixpk= 4238, nxpk= 20, iat= 820,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 611, 612,
 &end
#
#    0 AMB  20-2:4239     0 AMB  20-1:4239   3.50    (#   4239:20  Double Ambig)
 &rst
  ixpk= 4239, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 614,1599,
 igr2= 611, 612, 611, 612,
 &end
#
#   86 PRO  HD+          86 PRO  HB-         4.50    (#   4240:20  Unique         2.59, 3.64 A)
 &rst
  ixpk= 4240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1296,1297,
 igr2=1302,1303,
 &end
#
#   86 PRO  HD+          86 PRO  HB+         4.50    (#   4241:20  Unique         2.59, 3.64 A)
 &rst
  ixpk= 4241, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1296,1297,
 igr2=1302,1303,
 &end
#
#    0 AMB  20-2:4242     0 AMB  20-1:4242   4.50    (#   4242:20  Double Ambig)
 &rst
  ixpk= 4242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 151,1296,1297,1334,1335,
 igr2= 148, 149,1302,1303,1302,1303,
 &end
#
#   76 VAL  MGX           8 PRO  HB-         3.50    (#   4243:20  Unique         2.30, 4.90 A)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 112, 113,
 &end
#
#   13 LEU  MDX         117 VAL  HB          3.50    (#   4244:20  Unique         2.18, 3.78 A)
 &rst
  ixpk= 4244, nxpk= 20, iat=  -1,1802, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:4245     0 AMB  20-1:4245   3.50    (#   4245:20  Double Ambig)
 &rst
  ixpk= 4245, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 449, 450, 451, 538, 539, 540,1426,1427,1428,
 igr2=1474,1475,1474,1475,1474,1475,
 &end
#
#   64 ARG  HN           64 ARG  HB-         4.50    (#   4246:20  Unique         2.24, 3.00 A)
 &rst
  ixpk= 4246, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   65 LEU  HN           64 ARG  HB+         5.50    (#   4247:20  Unique         3.23, 3.83 A)
 &rst
  ixpk= 4247, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#    0 AMB  20-2:4248    34 ILE  HG1-        3.50    (#   4248:20  Single Ambig)
 &rst
  ixpk= 4248, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 924, 925, 921, 922, 529,
 igr2= 535, 536,
 &end
#
#   88 PRO  HD+          88 PRO  HG-         4.50    (#   4249:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 4249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   88 PRO  HB-          88 PRO  HG-         4.50    (#   4250:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 4250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   88 PRO  HB+          88 PRO  HG+         4.50    (#   4252:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 4252, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   88 PRO  HB+          88 PRO  HG-         4.50    (#   4253:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 4253, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   18 ARG  HN           18 ARG  HG+         7.00    (#   4254:20  Unique         2.38, 3.70 A)
 &rst
  ixpk= 4254, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 273, 274,
 &end
#
#   18 ARG  HA           18 ARG  HB-         4.50    (#   4255:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 4255, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 270, 271,
 &end
#
#    0 AMB  20-2:4256    13 LEU  MDY         5.50    (#   4256:20  Single Ambig)
 &rst
  ixpk= 4256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1877,1183,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   24 TRP  HZ3          13 LEU  MDY         5.50    (#   4257:20  Unique         2.37, 6.85 A)
 &rst
  ixpk= 4257, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   97 LYS  HN           97 LYS  HG+         4.50    (#   4258:20  Unique         2.16, 3.17 A)
 &rst
  ixpk= 4258, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1471,1472,
 &end
#
#    0 AMB  20-2:4259     0 AMB  20-1:4259   4.50    (#   4259:20  Double Ambig)
 &rst
  ixpk= 4259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1=1407,1408,1409,1419,1420,1421,1384,1385,1386,1388,
      1389,1390,
 igr2=1404,1405,1471,1472,1404,1405,
 &end
#
#   93 ILE  QG2          97 LYS  HG-         7.00    (#   4260:20  Unique         3.18, 5.16 A)
 &rst
  ixpk= 4260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1419,1420,1421,
 igr2=1471,1472,
 &end
#
#    0 AMB  20-2:4261   120 LEU  MDY         4.50    (#   4261:20  Single Ambig)
 &rst
  ixpk= 4261, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 407, 408,1804,1805,1806,1808,1809,1810,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   36 LEU  HB-          36 LEU  MDY         4.50    (#   4262:20  Unique         2.40, 3.33 A)
 &rst
  ixpk= 4262, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 565, 566,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   57 SER  HA          105 LYS  HG-         7.00    (#   4263:20  Unique         2.24, 4.62 A)
 &rst
  ixpk= 4263, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1604,1605,
 &end
#
#   29 GLY  HN           33 VAL  MGX         5.50    (#   4264:20  Unique         4.49, 6.35 A)
 &rst
  ixpk= 4264, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:4266     0 AMB  20-1:4266   4.50    (#   4266:20  Double Ambig)
 &rst
  ixpk= 4266, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1363, 393,
 igr2=1353,1354,1355,1357,1358,1359, 397, 398, 399,
 &end
#
#   24 TRP  HA           25 ALA  MB          7.00    (#   4267:20  Unique         4.06, 4.69 A)
 &rst
  ixpk= 4267, nxpk= 20, iat= 371,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 397, 398, 399,
 &end
#
#    0 AMB  20-2:4268    60 VAL  MGY         4.50    (#   4268:20  Single Ambig)
 &rst
  ixpk= 4268, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1534, 561,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#  116 PHE  HD           60 VAL  MGY         5.50    (#   4270:20  Unique         2.60, 5.78 A)
 &rst
  ixpk= 4270, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1786,1794,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:4271   120 LEU  MDX         7.00    (#   4271:20  Single Ambig)
 &rst
  ixpk= 4271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1786,1794,1501,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  116 PHE  HD          120 LEU  MDY         7.00    (#   4274:20  Unique         3.46, 5.57 A)
 &rst
  ixpk= 4274, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1786,1794,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   76 VAL  HA           76 VAL  MGY         3.50    (#   4275:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 4275, nxpk= 20, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   61 LYS  HN           37 ALA  MB          5.50    (#   4276:20  Unique         4.88, 5.89 A)
 &rst
  ixpk= 4276, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 584, 585, 586,
 &end
#
#   93 ILE  HG1+         28 ILE  QG2         4.50    (#   4277:20  Unique         2.19, 5.02 A)
 &rst
  ixpk= 4277, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1423,1424,
 igr2= 449, 450, 451,
 &end
#
#   36 LEU  MDX         104 MET  ME          4.50    (#   4279:20  Unique         2.28, 4.92 A)
 &rst
  ixpk= 4279, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1591,1592,1593,
 &end
#
#    0 AMB  20-2:4280    93 ILE  QG2         2.80    (#   4280:20  Single Ambig)
 &rst
  ixpk= 4280, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1423,1424,1474,1475,
 igr2=1419,1420,1421,
 &end
#
#   97 LYS  HE-          93 ILE  QG2         4.50    (#   4281:20  Unique         2.13, 3.81 A)
 &rst
  ixpk= 4281, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1477,1478,
 igr2=1419,1420,1421,
 &end
#
#    0 AMB  20-2:4282    14 ILE  QD1         4.50    (#   4282:20  Single Ambig)
 &rst
  ixpk= 4282, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 397, 398, 399, 109, 110,
 igr2= 206, 207, 208,
 &end
#
#   69 VAL  MGY          72 CYS  HB-         5.50    (#   4284:20  Unique         4.02, 6.67 A)
 &rst
  ixpk= 4284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1048,1049,1050,1052,1053,1054,
 igr2=1076,1077,
 &end
#
#  103 LYS  HN          103 LYS  HD-         5.50    (#   4285:20  Unique         4.19, 4.97 A)
 &rst
  ixpk= 4285, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1568,1569,
 &end
#
#   19 LEU  HN           18 ARG  HB-         5.50    (#   4286:20  Unique         1.81, 2.57 A)
 &rst
  ixpk= 4286, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 270, 271,
 &end
#
#    0 AMB  20-2:4287    81 ASP  HA          5.50    (#   4287:20  Single Ambig)
 &rst
  ixpk= 4287, nxpk= 20, iat=  -1,1215, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1185,1244,1296,1297,
 &end
#
#   26 LEU  HN           35 HIS  HB-         7.00    (#   4288:20  Unique         3.99, 4.78 A)
 &rst
  ixpk= 4288, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 548, 549,
 &end
#
#   24 TRP  HZ3          77 ASN  HB-         7.00    (#   4289:20  Unique         2.29, 6.74 A)
 &rst
  ixpk= 4289, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1159,1160,
 &end
#
#   26 LEU  HA           27 TYR  HB-         7.00    (#   4290:20  Unique         4.35, 4.51 A)
 &rst
  ixpk= 4290, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:4291    27 TYR  HB-         7.00    (#   4291:20  Single Ambig)
 &rst
  ixpk= 4291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 445,1141,
 igr2= 426, 427,
 &end
#
#   17 PHE  HA           22 GLU  HG+         7.00    (#   4292:20  Unique         1.96, 3.02 A)
 &rst
  ixpk= 4292, nxpk= 20, iat= 248,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 344, 345,
 &end
#
#    0 AMB  20-2:4293    27 TYR  HB-         7.00    (#   4293:20  Single Ambig)
 &rst
  ixpk= 4293, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.53, r4=12.28,
 igr1= 203, 204, 412, 413, 414, 416, 417, 418, 109, 110,
      
 igr2= 426, 427,
 &end
#
#   90 GLU  HA           89 VAL  HA          7.00    (#   4294:20  Unique         4.67, 4.71 A)
 &rst
  ixpk= 4294, nxpk= 20, iat=1365,1349, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   60 VAL  HA           60 VAL  HB          7.00    (#   4295:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 4295, nxpk= 20, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   25 ALA  HN           24 TRP  HB-         7.00    (#   4296:20  Unique         2.22, 3.15 A)
 &rst
  ixpk= 4296, nxpk= 20, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#   24 TRP  HD1          24 TRP  HB-         7.00    (#   4297:20  Unique         2.52, 3.31 A)
 &rst
  ixpk= 4297, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#    0 AMB  20-2:4298    24 TRP  HB-         7.00    (#   4298:20  Single Ambig)
 &rst
  ixpk= 4298, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
 igr1=1788,1792,1798,1730,1731,
 igr2= 373, 374,
 &end
#
#   24 TRP  HN           24 TRP  HB-         7.00    (#   4299:20  Unique         2.40, 3.19 A)
 &rst
  ixpk= 4299, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#   19 LEU  HN           19 LEU  HA          4.50    (#   4300:20  Unique         2.80, 2.90 A)
 &rst
  ixpk= 4300, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:4302    87 ARG  HA          5.50    (#   4302:20  Single Ambig)
 &rst
  ixpk= 4302, nxpk= 20, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1282,1283,1337,1338,1299,1300,
 &end
#
#  124 LYS  HB+          87 ARG  HA          4.50    (#   4303:20  Unique         3.60, 4.81 A)
 &rst
  ixpk= 4303, nxpk= 20, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1920,1921,
 &end
#
#  124 LYS  HB-         124 LYS  HA          4.50    (#   4304:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 4304, nxpk= 20, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1920,1921,
 &end
#
#   32 TYR  HD           28 ILE  QD1         7.00    (#   4306:20  Unique         3.82, 5.63 A)
 &rst
  ixpk= 4306, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 496, 505,
 igr2= 456, 457, 458,
 &end
#
#   62 ARG  HA           28 ILE  QD1         7.00    (#   4307:20  Unique         4.05, 5.12 A)
 &rst
  ixpk= 4307, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:4308    28 ILE  QD1         7.00    (#   4308:20  Single Ambig)
 &rst
  ixpk= 4308, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 525, 544,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:4309    28 ILE  QD1         5.50    (#   4309:20  Single Ambig)
 &rst
  ixpk= 4309, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1468,1469, 407, 408,1417,
 igr2= 456, 457, 458,
 &end
#
#   92 ILE  HB           89 VAL  HA          3.50    (#   4310:20  Unique         2.78, 3.20 A)
 &rst
  ixpk= 4310, nxpk= 20, iat=1398,1349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 GLU  HN           91 VAL  HA          5.50    (#   4311:20  Unique         5.25, 5.33 A)
 &rst
  ixpk= 4311, nxpk= 20, iat=1363,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 SER  HA           52 SER  HB+         3.50    (#   4314:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 4314, nxpk= 20, iat= 774,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 776, 777,
 &end
#
#   88 PRO  HG+          88 PRO  HA          4.50    (#   4315:20  Unique         2.91, 3.92 A)
 &rst
  ixpk= 4315, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1337,1338,
 &end
#
#   53 VAL  MGY          53 VAL  HA          3.50    (#   4316:20  Unique         2.36, 3.48 A)
 &rst
  ixpk= 4316, nxpk= 20, iat=  -1, 785, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 789, 790, 791, 793, 794, 795,
 &end
#
#   98 GLU  HG+          95 SER  HA          4.50    (#   4317:20  Unique         3.22, 4.04 A)
 &rst
  ixpk= 4317, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1493,1494,
 &end
#
#   97 LYS  HB-          97 LYS  HA          3.50    (#   4318:20  Unique         2.49, 2.81 A)
 &rst
  ixpk= 4318, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1468,1469,
 &end
#
#  121 ARG  HN          121 ARG  HA          7.00    (#   4320:20  Unique         2.84, 2.88 A)
 &rst
  ixpk= 4320, nxpk= 20, iat=1864,1866, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   91 VAL  MGX          91 VAL  HB          2.80    (#   4321:20  Unique         2.45, 2.67 A)
 &rst
  ixpk= 4321, nxpk= 20, iat=  -1,1382, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   98 GLU  HG-          98 GLU  HA          4.50    (#   4322:20  Unique         2.39, 3.02 A)
 &rst
  ixpk= 4322, nxpk= 20, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1493,1494,
 &end
#
#   36 LEU  HN           36 LEU  HA          5.50    (#   4323:20  Unique         2.97, 2.98 A)
 &rst
  ixpk= 4323, nxpk= 20, iat= 561, 563, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:4324    36 LEU  HA          4.50    (#   4324:20  Single Ambig)
 &rst
  ixpk= 4324, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 584, 585, 586,1524,1525,1526,1528,1529,1530,
 &end
#
#   36 LEU  HB-          36 LEU  HA          4.50    (#   4325:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 4325, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 565, 566,
 &end
#
#   10 PRO  HG+          10 PRO  HD+         5.50    (#   4326:20  Unique         2.28, 2.60 A)
 &rst
  ixpk= 4326, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 145, 146,
 igr2= 142, 143,
 &end
#
#    9 LYS  HB-          10 PRO  HD+         3.50    (#   4327:20  Unique         2.01, 3.52 A)
 &rst
  ixpk= 4327, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 123, 124,
 igr2= 142, 143,
 &end
#
#    0 AMB  20-2:4328     8 PRO  HD-         4.50    (#   4328:20  Single Ambig)
 &rst
  ixpk= 4328, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  94,  95,  77,  78,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:4329     8 PRO  HD-         4.50    (#   4329:20  Single Ambig)
 &rst
  ixpk= 4329, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  94,  95,1143,  77,  78,
 igr2= 106, 107,
 &end
#
#   76 VAL  MGX           8 PRO  HD-         5.50    (#   4330:20  Unique         2.98, 6.08 A)
 &rst
  ixpk= 4330, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 106, 107,
 &end
#
#   76 VAL  MGX           8 PRO  HD+         7.00    (#   4331:20  Unique         2.98, 6.08 A)
 &rst
  ixpk= 4331, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:4332     0 AMB  20-1:4332   3.50    (#   4332:20  Double Ambig)
 &rst
  ixpk= 4332, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  94,  95,  77,  78,
 igr2= 106, 107, 106, 107,
 &end
#
#   88 PRO  HB-          88 PRO  HD+         7.00    (#   4333:20  Unique         2.75, 3.70 A)
 &rst
  ixpk= 4333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1340,1341,
 igr2=1334,1335,
 &end
#
#   88 PRO  HB-          88 PRO  HD-         5.50    (#   4334:20  Unique         2.75, 3.70 A)
 &rst
  ixpk= 4334, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1340,1341,
 igr2=1334,1335,
 &end
#
#    0 AMB  20-2:4335     0 AMB  20-1:4335   4.50    (#   4335:20  Double Ambig)
 &rst
  ixpk= 4335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1299,1300,1337,1338,
 igr2=1334,1335,1334,1335,
 &end
#
#    0 AMB  20-2:4336    88 PRO  HD-         4.50    (#   4336:20  Single Ambig)
 &rst
  ixpk= 4336, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1299,1300,1337,1338,
 igr2=1334,1335,
 &end
#
#  124 LYS  HB+          88 PRO  HD+         7.00    (#   4337:20  Unique         2.28, 3.45 A)
 &rst
  ixpk= 4337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1920,1921,
 igr2=1334,1335,
 &end
#
#  124 LYS  HB+          88 PRO  HD-         5.50    (#   4338:20  Unique         2.28, 3.45 A)
 &rst
  ixpk= 4338, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1920,1921,
 igr2=1334,1335,
 &end
#
#   75 ARG  HG+          75 ARG  HD-         4.50    (#   4339:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 4339, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1122,1123,
 igr2=1125,1126,
 &end
#
#    0 AMB  20-2:4340     0 AMB  20-1:4340   4.50    (#   4340:20  Double Ambig)
 &rst
  ixpk= 4340, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1122,1123, 231, 297,
 igr2=1125,1126, 276, 277,
 &end
#
#   34 ILE  QD1          62 ARG  HD-         4.50    (#   4341:20  Unique         3.14, 5.39 A)
 &rst
  ixpk= 4341, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 538, 539, 540,
 igr2= 927, 928,
 &end
#
#   34 ILE  QD1          62 ARG  HD+         4.50    (#   4342:20  Unique         3.14, 5.39 A)
 &rst
  ixpk= 4342, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 538, 539, 540,
 igr2= 927, 928,
 &end
#
#   76 VAL  MGX          12 ASP  HB+         4.50    (#   4343:20  Unique         2.74, 5.48 A)
 &rst
  ixpk= 4343, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:4344     0 AMB  20-1:4344   2.80    (#   4344:20  Double Ambig)
 &rst
  ixpk= 4344, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 868, 869,1562,1563,
 igr2=1571,1572,1571,1572,
 &end
#
#   97 LYS  HG-          97 LYS  HE+         4.50    (#   4345:20  Unique         2.32, 3.15 A)
 &rst
  ixpk= 4345, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1471,1472,
 igr2=1477,1478,
 &end
#
#    0 AMB  20-2:4346     0 AMB  20-1:4346   5.50    (#   4346:20  Double Ambig)
 &rst
  ixpk= 4346, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 237, 238, 924, 925,
 igr2=1098,1099, 492, 493,
 &end
#
#   74 TYR  HD           74 TYR  HA          4.50    (#   4347:20  Unique         4.10, 4.23 A)
 &rst
  ixpk= 4347, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1102,1111,
 &end
#
#   16 ILE  QG2          74 TYR  HB-         5.50    (#   4348:20  Unique         2.29, 4.30 A)
 &rst
  ixpk= 4348, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 233, 234, 235,
 igr2=1098,1099,
 &end
#
#   75 ARG  HN           74 TYR  HB+         4.50    (#   4349:20  Unique         2.43, 3.28 A)
 &rst
  ixpk= 4349, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1098,1099,
 &end
#
#    0 AMB  20-2:4350    74 TYR  HB-         7.00    (#   4350:20  Single Ambig)
 &rst
  ixpk= 4350, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 246,1139, 227,
 igr2=1098,1099,
 &end
#
#    0 AMB  20-2:4351     0 AMB  20-1:4351   7.00    (#   4351:20  Double Ambig)
 &rst
  ixpk= 4351, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 246,1139,
 igr2=1098,1099,1098,1099,
 &end
#
#   16 ILE  HA           74 TYR  HB+         4.50    (#   4352:20  Unique         3.07, 3.53 A)
 &rst
  ixpk= 4352, nxpk= 20, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1098,1099,
 &end
#
#   84 TYR  HH           80 LEU  HB+         4.50    (#   4353:20  Unique         4.76, 6.97 A)
 &rst
  ixpk= 4353, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1198,1199,
 &end
#
#   61 LYS  HN           61 LYS  HB-         7.00    (#   4354:20  Unique         2.51, 3.24 A)
 &rst
  ixpk= 4354, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 899, 900,
 &end
#
#   63 GLU  HG+          61 LYS  HB+         7.00    (#   4355:20  Unique         3.56, 5.10 A)
 &rst
  ixpk= 4355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 948, 949,
 igr2= 899, 900,
 &end
#
#   93 ILE  HG1+         93 ILE  HB          4.50    (#   4356:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 4356, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1423,1424,
 &end
#
#  114 GLU  HB+         114 GLU  HG-         4.50    (#   4357:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 4357, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1750,1751,
 igr2=1753,1754,
 &end
#
#   29 GLY  HN           29 GLY  HA-         7.00    (#   4358:20  Unique         2.71, 2.81 A)
 &rst
  ixpk= 4358, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:4361    29 GLY  HA-         7.00    (#   4361:20  Single Ambig)
 &rst
  ixpk= 4361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 535, 536, 963, 964,1471,1472, 960, 961,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:4362     0 AMB  20-1:4362   3.50    (#   4362:20  Double Ambig)
 &rst
  ixpk= 4362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1920,1921,1474,1475,
 igr2=1929,1930,1477,1478,
 &end
#
#   24 TRP  HZ3          13 LEU  HB-         7.00    (#   4363:20  Unique         4.12, 8.15 A)
 &rst
  ixpk= 4363, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 178, 179,
 &end
#
#    0 AMB  20-2:4364    13 LEU  HB-         7.00    (#   4364:20  Single Ambig)
 &rst
  ixpk= 4364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 377,1790,
 igr2= 178, 179,
 &end
#
#   28 ILE  HN           28 ILE  HG1-        4.50    (#   4366:20  Unique         2.64, 2.81 A)
 &rst
  ixpk= 4366, nxpk= 20, iat= 443,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 453, 454,
 &end
#
#   32 TYR  HB-          28 ILE  HG1-        5.50    (#   4367:20  Unique         2.24, 2.98 A)
 &rst
  ixpk= 4367, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 492, 493,
 igr2= 453, 454,
 &end
#
#   28 ILE  HB           28 ILE  HG1-        4.50    (#   4368:20  Unique         2.63, 2.85 A)
 &rst
  ixpk= 4368, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:4370    28 ILE  HG1-        3.50    (#   4370:20  Single Ambig)
 &rst
  ixpk= 4370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 449, 450, 451, 538, 539, 540,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:4371     0 AMB  20-1:4371   4.50    (#   4371:20  Double Ambig)
 &rst
  ixpk= 4371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1866,1334,1335,
 igr2=1404,1405,1404,1405,
 &end
#
#    0 AMB  20-2:4372    92 ILE  HG1-        5.50    (#   4372:20  Single Ambig)
 &rst
  ixpk= 4372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1866,1334,1335,
 igr2=1404,1405,
 &end
#
#   92 ILE  HA           92 ILE  HG1-        7.00    (#   4373:20  Unique         2.29, 3.27 A)
 &rst
  ixpk= 4373, nxpk= 20, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:4374    19 LEU  MDY         4.50    (#   4374:20  Single Ambig)
 &rst
  ixpk= 4374, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 672, 673, 294, 295,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#    0 AMB  20-2:4375    19 LEU  MDY         3.50    (#   4375:20  Single Ambig)
 &rst
  ixpk= 4375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 297, 294, 295,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#  100 VAL  MGX          60 VAL  MGY         4.50    (#   4376:20  Unique         2.31, 6.05 A)
 &rst
  ixpk= 4376, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   34 ILE  QG2          60 VAL  MGY         3.50    (#   4377:20  Unique         2.40, 4.65 A)
 &rst
  ixpk= 4377, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 531, 532, 533,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   75 ARG  HA           75 ARG  HD-         3.50    (#   4378:20  Unique         2.23, 4.26 A)
 &rst
  ixpk= 4378, nxpk= 20, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1125,1126,
 &end
#
#  121 ARG  HA          121 ARG  HB+         7.00    (#   4379:20  Unique         2.20, 2.54 A)
 &rst
  ixpk= 4379, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1868,1869,
 &end
#
#  121 ARG  HA          121 ARG  HB-         7.00    (#   4380:20  Unique         2.20, 2.54 A)
 &rst
  ixpk= 4380, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1868,1869,
 &end
#
#  121 ARG  HG-         121 ARG  HB-         7.00    (#   4381:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 4381, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1871,1872,
 igr2=1868,1869,
 &end
#
#   13 LEU  MDX          13 LEU  HB-         7.00    (#   4382:20  Unique         2.33, 3.29 A)
 &rst
  ixpk= 4382, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 178, 179,
 &end
#
#   13 LEU  MDX          13 LEU  HB+         5.50    (#   4383:20  Unique         2.33, 3.29 A)
 &rst
  ixpk= 4383, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 178, 179,
 &end
#
#   13 LEU  HG           13 LEU  HB+         7.00    (#   4385:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 4385, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 178, 179,
 &end
#
#    0 AMB  20-2:4386    13 LEU  MDY         7.00    (#   4386:20  Single Ambig)
 &rst
  ixpk= 4386, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1=1178,1179,1178,1179,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   81 ASP  HB+          13 LEU  MDY         4.50    (#   4387:20  Unique         2.44, 6.11 A)
 &rst
  ixpk= 4387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1217,1218,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:4388     0 AMB  20-1:4388   3.50    (#   4388:20  Double Ambig)
 &rst
  ixpk= 4388, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 270, 271, 538, 539, 540,
 igr2= 273, 274, 924, 925,
 &end
#
#   63 GLU  HN           62 ARG  HG-         7.00    (#   4389:20  Unique         2.34, 3.42 A)
 &rst
  ixpk= 4389, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 924, 925,
 &end
#
#   75 ARG  HD+          75 ARG  HG+         5.50    (#   4390:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 4390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1125,1126,
 igr2=1122,1123,
 &end
#
#   75 ARG  HD-          75 ARG  HG-         4.50    (#   4391:20  Unique         2.31, 2.66 A)
 &rst
  ixpk= 4391, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1125,1126,
 igr2=1122,1123,
 &end
#
#   74 TYR  HD           75 ARG  HG+         7.00    (#   4392:20  Unique         5.19, 7.34 A)
 &rst
  ixpk= 4392, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1102,1111,
 igr2=1122,1123,
 &end
#
#   75 ARG  HN           75 ARG  HG-         7.00    (#   4394:20  Unique         2.43, 4.21 A)
 &rst
  ixpk= 4394, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1122,1123,
 &end
#
#   14 ILE  HG1-         76 VAL  MGX         3.50    (#   4395:20  Unique         2.28, 5.32 A)
 &rst
  ixpk= 4395, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 203, 204,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:4396    50 VAL  MGX         3.50    (#   4396:20  Single Ambig)
 &rst
  ixpk= 4396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 740, 669, 670,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#  120 LEU  MDX         120 LEU  HG          3.50    (#   4397:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 4397, nxpk= 20, iat=  -1,1852, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  104 MET  HB+         104 MET  ME          2.80    (#   4398:20  Unique         2.39, 4.73 A)
 &rst
  ixpk= 4398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1584,1585,
 igr2=1591,1592,1593,
 &end
#
#    0 AMB  20-2:4399   104 MET  ME          2.80    (#   4399:20  Single Ambig)
 &rst
  ixpk= 4399, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1587,1588,1835,1836,1505,1506,
 igr2=1591,1592,1593,
 &end
#
#    0 AMB  20-2:4401   104 MET  ME          7.00    (#   4401:20  Single Ambig)
 &rst
  ixpk= 4401, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 879,1580,
 igr2=1591,1592,1593,
 &end
#
#  120 LEU  HG           99 MET  ME          4.50    (#   4402:20  Unique         2.18, 3.27 A)
 &rst
  ixpk= 4402, nxpk= 20, iat=1852,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1512,1513,1514,
 &end
#
#  116 PHE  HA          116 PHE  HB+         4.50    (#   4403:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 4403, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1782,1783,
 &end
#
#   64 ARG  HN           67 ASP  HB+         5.50    (#   4404:20  Unique         3.03, 3.87 A)
 &rst
  ixpk= 4404, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1018,1019,
 &end
#
#   64 ARG  HN           67 ASP  HB-         5.50    (#   4405:20  Unique         3.03, 3.87 A)
 &rst
  ixpk= 4405, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1018,1019,
 &end
#
#   67 ASP  HN           67 ASP  HB+         3.50    (#   4406:20  Unique         2.45, 2.60 A)
 &rst
  ixpk= 4406, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1018,1019,
 &end
#
#   67 ASP  HN           67 ASP  HB-         3.50    (#   4407:20  Unique         2.45, 2.60 A)
 &rst
  ixpk= 4407, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1018,1019,
 &end
#
#   67 ASP  HA           67 ASP  HB+         3.50    (#   4408:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 4408, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1018,1019,
 &end
#
#   67 ASP  HA           67 ASP  HB-         3.50    (#   4409:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 4409, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1018,1019,
 &end
#
#    0 AMB  20-2:4410     0 AMB  20-1:4410   5.50    (#   4410:20  Double Ambig)
 &rst
  ixpk= 4410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 948, 949,1006,1007, 945, 946,
 igr2=1018,1019,1018,1019,1018,1019,
 &end
#
#    0 AMB  20-2:4411    67 ASP  HB-         5.50    (#   4411:20  Single Ambig)
 &rst
  ixpk= 4411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 948, 949,1006,1007, 945, 946,
 igr2=1018,1019,
 &end
#
#    0 AMB  20-2:4412    67 ASP  HB-         4.50    (#   4412:20  Single Ambig)
 &rst
  ixpk= 4412, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2=1018,1019,
 &end
#
#   17 PHE  HN           17 PHE  HA          7.00    (#   4413:20  Unique         2.84, 2.92 A)
 &rst
  ixpk= 4413, nxpk= 20, iat= 246, 248, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   17 PHE  HD           17 PHE  HA          5.50    (#   4414:20  Unique         2.32, 3.55 A)
 &rst
  ixpk= 4414, nxpk= 20, iat=  -1, 248, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 254, 262,
 &end
#
#   17 PHE  HD           17 PHE  HB-         4.50    (#   4415:20  Unique         2.30, 3.10 A)
 &rst
  ixpk= 4415, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 254, 262,
 igr2= 250, 251,
 &end
#
#   17 PHE  HD           17 PHE  HB+         4.50    (#   4416:20  Unique         2.30, 3.10 A)
 &rst
  ixpk= 4416, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 254, 262,
 igr2= 250, 251,
 &end
#
#  121 ARG  HA          121 ARG  HG-         7.00    (#   4417:20  Unique         2.46, 3.53 A)
 &rst
  ixpk= 4417, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1871,1872,
 &end
#
#   22 GLU  HB-          22 GLU  HG+         4.50    (#   4418:20  Unique         2.28, 2.73 A)
 &rst
  ixpk= 4418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 341, 342,
 igr2= 344, 345,
 &end
#
#  115 HIS  HA          115 HIS  HB-         2.80    (#   4419:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 4419, nxpk= 20, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1765,1766,
 &end
#
#   61 LYS  HN           61 LYS  HG+         7.00    (#   4420:20  Unique         2.98, 3.87 A)
 &rst
  ixpk= 4420, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 902, 903,
 &end
#
#   61 LYS  HN           61 LYS  HG-         7.00    (#   4421:20  Unique         2.98, 3.87 A)
 &rst
  ixpk= 4421, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 902, 903,
 &end
#
#   62 ARG  HN           61 LYS  HG-         5.50    (#   4422:20  Unique         3.16, 4.49 A)
 &rst
  ixpk= 4422, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 902, 903,
 &end
#
#   61 LYS  HA           61 LYS  HD-         7.00    (#   4423:20  Unique         2.98, 4.63 A)
 &rst
  ixpk= 4423, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 905, 906,
 &end
#
#   61 LYS  HE+          61 LYS  HD-         3.50    (#   4425:20  Unique         2.23, 2.66 A)
 &rst
  ixpk= 4425, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 908, 909,
 igr2= 905, 906,
 &end
#
#   37 ALA  MB           61 LYS  HD-         3.50    (#   4426:20  Unique         2.22, 3.75 A)
 &rst
  ixpk= 4426, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 584, 585, 586,
 igr2= 905, 906,
 &end
#
#    0 AMB  20-2:4427    61 LYS  HD-         2.80    (#   4427:20  Single Ambig)
 &rst
  ixpk= 4427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 902, 903, 806,
 igr2= 905, 906,
 &end
#
#  116 PHE  HD           24 TRP  HE1         5.50    (#      4:10  Unique         6.39, 9.55 A)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1786,1794,
 &end
#
#    0 AMB  10-2:5       24 TRP  HE1         5.50    (#      5:10  Single Ambig)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1735, 254, 262,1730,1731,1798,
 &end
#
#   22 GLU  HB-          24 TRP  HE1         7.00    (#      7:10  Unique         3.82, 5.99 A)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 341, 342,
 &end
#
#   15 GLU  HB+          24 TRP  HE1         7.00    (#      9:10  Unique         2.39, 4.61 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 216, 217,
 &end
#
#   15 GLU  HG+          24 TRP  HE1         5.50    (#     10:10  Unique         2.23, 3.82 A)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 219, 220,
 &end
#
#  114 GLU  HG-          24 TRP  HE1         7.00    (#     11:10  Unique         1.77, 4.76 A)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1753,1754,
 &end
#
#  114 GLU  HG+          24 TRP  HE1         7.00    (#     12:10  Unique         1.77, 4.76 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1753,1754,
 &end
#
#   62 ARG  HN           61 LYS  HN          7.00    (#     21:10  Unique         4.37, 4.42 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 917, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:22      61 LYS  HN          5.50    (#     22:10  Single Ambig)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 580, 864,
 &end
#
#   77 ASN  HN           15 GLU  HN          7.00    (#     23:10  Unique         3.97, 4.51 A)
 &rst
  ixpk= 23, nxpk= 10, iat=1155, 212, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:25      37 ALA  HN          5.50    (#     25:10  Single Ambig)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 895, 544,
 &end
#
#   61 LYS  HA           61 LYS  HN          4.50    (#     26:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 26, nxpk= 10, iat= 897, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  HA           61 LYS  HN          4.50    (#     27:10  Unique         2.99, 3.43 A)
 &rst
  ixpk= 27, nxpk= 10, iat= 563, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 VAL  HA           61 LYS  HN          2.80    (#     28:10  Unique         2.20, 2.22 A)
 &rst
  ixpk= 28, nxpk= 10, iat= 881, 895, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:29      61 LYS  HN          4.50    (#     29:10  Single Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1=1524,1525,1526,1528,1529,1530, 535, 536, 584, 585,
       586,
 &end
#
#   34 ILE  QG2          61 LYS  HN          7.00    (#     30:10  Unique         3.23, 4.37 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 531, 532, 533,
 &end
#
#   60 VAL  MGX          61 LYS  HN          3.50    (#     31:10  Unique         2.80, 4.31 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   35 HIS  HD2          61 LYS  HN          5.50    (#     32:10  Unique         2.50, 3.42 A)
 &rst
  ixpk= 32, nxpk= 10, iat= 557, 895, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LYS  HA           61 LYS  HN          4.50    (#     33:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 33, nxpk= 10, iat= 897, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 LYS  HB-          61 LYS  HN          4.50    (#     34:10  Unique         2.51, 3.24 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 899, 900,
 &end
#
#    0 AMB  10-2:35      61 LYS  HN          3.50    (#     35:10  Single Ambig)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 899, 900, 905, 906,
 &end
#
#   61 LYS  HG-          61 LYS  HN          5.50    (#     36:10  Unique         2.98, 3.87 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 902, 903,
 &end
#
#   60 VAL  MGY          61 LYS  HN          4.50    (#     37:10  Unique         2.80, 4.31 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   14 ILE  HA           15 GLU  HN          2.80    (#     39:10  Unique         2.14, 2.24 A)
 &rst
  ixpk= 39, nxpk= 10, iat= 195, 212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:40      15 GLU  HN          4.50    (#     40:10  Single Ambig)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1122,1123, 197,
 &end
#
#   15 GLU  HB+          15 GLU  HN          3.50    (#     41:10  Unique         2.21, 2.87 A)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 216, 217,
 &end
#
#   14 ILE  QG2          15 GLU  HN          3.50    (#     42:10  Unique         2.17, 3.31 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 199, 200, 201,
 &end
#
#   75 ARG  HN           15 GLU  HN          5.50    (#     43:10  Unique         2.61, 2.83 A)
 &rst
  ixpk= 43, nxpk= 10, iat=1115, 212, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:44      15 GLU  HN          3.50    (#     44:10  Single Ambig)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 214,1159,1160,
 &end
#
#   15 GLU  HB-          15 GLU  HN          4.50    (#     45:10  Unique         2.21, 2.87 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 216, 217,
 &end
#
#    0 AMB  10-2:47      37 ALA  HN          7.00    (#     47:10  Single Ambig)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 905, 906, 899, 900,
 &end
#
#   36 LEU  MDX          37 ALA  HN          3.50    (#     48:10  Unique         2.43, 4.81 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#   37 ALA  HA           37 ALA  HN          3.50    (#     49:10  Unique         2.81, 2.87 A)
 &rst
  ixpk= 49, nxpk= 10, iat= 582, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 LEU  HA           37 ALA  HN          2.80    (#     50:10  Unique         2.09, 2.15 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 563, 580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 ALA  MB           37 ALA  HN          2.80    (#     51:10  Unique         2.35, 2.85 A)
 &rst
  ixpk= 51, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 584, 585, 586,
 &end
#
#    0 AMB  10-2:52      37 ALA  HN          4.50    (#     52:10  Single Ambig)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1= 565, 566, 808, 809, 810, 812, 813, 814, 885, 886,
       887, 889, 890, 891,
 &end
#
#    0 AMB  10-2:54      61 LYS  HN          5.50    (#     54:10  Single Ambig)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 883, 948, 949,
 &end
#
#   27 TYR  HD           27 TYR  HN          5.50    (#     55:10  Unique         4.46, 4.69 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 430, 439,
 &end
#
#   26 LEU  HA           27 TYR  HN          2.80    (#     56:10  Unique         2.18, 2.23 A)
 &rst
  ixpk= 56, nxpk= 10, iat= 405, 422, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   13 LEU  HA           27 TYR  HN          7.00    (#     57:10  Unique         3.16, 3.50 A)
 &rst
  ixpk= 57, nxpk= 10, iat= 176, 422, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   27 TYR  HA           27 TYR  HN          4.50    (#     58:10  Unique         2.87, 2.90 A)
 &rst
  ixpk= 58, nxpk= 10, iat= 424, 422, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 TYR  HB+          27 TYR  HN          3.50    (#     59:10  Unique         2.27, 2.41 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 426, 427,
 &end
#
#   27 TYR  HB-          27 TYR  HN          3.50    (#     60:10  Unique         2.27, 2.41 A)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 426, 427,
 &end
#
#   26 LEU  HB-          27 TYR  HN          7.00    (#     61:10  Unique         4.19, 4.40 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 407, 408,
 &end
#
#    0 AMB  10-2:62      27 TYR  HN          3.50    (#     62:10  Single Ambig)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 412, 413, 414, 416, 417, 418, 203, 204,
 &end
#
#    0 AMB  10-2:63      27 TYR  HN          3.50    (#     63:10  Single Ambig)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 412, 413, 414, 416, 417, 418, 515, 516, 517, 519,
       520, 521,
 &end
#
#   14 ILE  QD1          27 TYR  HN          3.50    (#     64:10  Unique         2.50, 4.19 A)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 206, 207, 208,
 &end
#
#   17 PHE  HD           17 PHE  HN          5.50    (#     67:10  Unique         2.83, 4.48 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 254, 262,
 &end
#
#   74 TYR  HA           17 PHE  HN          4.50    (#     68:10  Unique         2.37, 3.16 A)
 &rst
  ixpk= 68, nxpk= 10, iat=1096, 246, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 ILE  QG2          17 PHE  HN          3.50    (#     69:10  Unique         2.55, 3.67 A)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 233, 234, 235,
 &end
#
#   17 PHE  HA           17 PHE  HN          3.50    (#     70:10  Unique         2.84, 2.92 A)
 &rst
  ixpk= 70, nxpk= 10, iat= 248, 246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 ILE  HA           17 PHE  HN          2.80    (#     71:10  Unique         2.08, 2.14 A)
 &rst
  ixpk= 71, nxpk= 10, iat= 229, 246, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:72      17 PHE  HN          3.50    (#     72:10  Single Ambig)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 250, 251,1076,1077,
 &end
#
#    0 AMB  10-2:73      17 PHE  HN          3.50    (#     73:10  Single Ambig)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 250, 251,1076,1077,
 &end
#
#   74 TYR  HB-          17 PHE  HN          7.00    (#     74:10  Unique         4.02, 4.86 A)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1098,1099,
 &end
#
#    0 AMB  10-2:75      17 PHE  HN          5.50    (#     75:10  Single Ambig)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1083,1115,
 &end
#
#    0 AMB  10-2:76      17 PHE  HN          5.50    (#     76:10  Single Ambig)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 268,1117,
 &end
#
#    0 AMB  10-2:77      17 PHE  HN          4.50    (#     77:10  Single Ambig)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 237, 238, 240, 241, 242,
 &end
#
#   77 ASN  HB+          77 ASN  HN          5.50    (#     79:10  Unique         2.49, 3.11 A)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1159,1160,
 &end
#
#    0 AMB  10-2:80      77 ASN  HN          5.50    (#     80:10  Single Ambig)
 &rst
  ixpk= 80, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 199, 200, 201, 206, 207, 208,
 &end
#
#   78 ASN  HN           77 ASN  HN          4.50    (#     81:10  Unique         2.18, 3.10 A)
 &rst
  ixpk= 81, nxpk= 10, iat=1169,1155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ASN  HA           77 ASN  HN          3.50    (#     82:10  Unique         2.80, 2.94 A)
 &rst
  ixpk= 82, nxpk= 10, iat=1157,1155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:83      77 ASN  HN          2.80    (#     83:10  Single Ambig)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1141, 195,
 &end
#
#   77 ASN  HB-          77 ASN  HN          4.50    (#     84:10  Unique         2.49, 3.11 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1159,1160,
 &end
#
#   76 VAL  HB           77 ASN  HN          5.50    (#     85:10  Unique         2.74, 3.35 A)
 &rst
  ixpk= 85, nxpk= 10, iat=1143,1155, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:86      77 ASN  HN          7.00    (#     86:10  Single Ambig)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 203, 204,1122,1123,
 &end
#
#   76 VAL  MGY          77 ASN  HN          3.50    (#     87:10  Unique         2.68, 4.53 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   76 VAL  HN           77 ASN  HN          5.50    (#     88:10  Unique         4.21, 4.56 A)
 &rst
  ixpk= 88, nxpk= 10, iat=1139,1155, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 GLU  HN           89 VAL  HN          3.50    (#     90:10  Unique         2.96, 3.16 A)
 &rst
  ixpk= 90, nxpk= 10, iat=1363,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:91      89 VAL  HN          4.50    (#     91:10  Single Ambig)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1316,1317,1340,1341,1313,1314,
 &end
#
#   89 VAL  MGY          89 VAL  HN          3.50    (#     92:10  Unique         1.95, 3.74 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   88 PRO  HA           89 VAL  HN          2.80    (#     97:10  Unique         2.10, 2.19 A)
 &rst
  ixpk= 97, nxpk= 10, iat=1343,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 VAL  HA           89 VAL  HN          3.50    (#     98:10  Unique         2.60, 2.70 A)
 &rst
  ixpk= 98, nxpk= 10, iat=1349,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 PRO  HB-          89 VAL  HN          4.50    (#     99:10  Unique         3.59, 4.17 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1340,1341,
 &end
#
#    0 AMB  10-2:100     89 VAL  HN          5.50    (#    100:10  Single Ambig)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1337,1338,1382,
 &end
#
#   89 VAL  HB           89 VAL  HN          2.80    (#    101:10  Unique         2.25, 2.41 A)
 &rst
  ixpk= 101, nxpk= 10, iat=1351,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 VAL  MGX          89 VAL  HN          3.50    (#    102:10  Unique         1.95, 3.74 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  10-2:106      0 AMB  10-1:106    5.50    (#    106:10  Double Ambig)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1541, 864, 843,
 igr2= 879, 854,
 &end
#
#    0 AMB  10-2:107     60 VAL  HN          5.50    (#    107:10  Single Ambig)
 &rst
  ixpk= 107, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1536,1537, 856,
 &end
#
#  101 GLY  HA+          60 VAL  HN          7.00    (#    108:10  Unique         4.45, 5.30 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1536,1537,
 &end
#
#   57 SER  HA           58 ALA  HN          3.50    (#    111:10  Unique         2.26, 2.53 A)
 &rst
  ixpk= 111, nxpk= 10, iat= 845, 854, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   58 ALA  HA           58 ALA  HN          3.50    (#    112:10  Unique         2.84, 2.91 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 856, 854, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:113     58 ALA  HN          4.50    (#    113:10  Single Ambig)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 614,1599,
 &end
#
#    0 AMB  10-2:114     58 ALA  HN          3.50    (#    114:10  Single Ambig)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 847, 848, 847, 848,
 &end
#
#   58 ALA  MB           58 ALA  HN          2.80    (#    115:10  Unique         2.31, 2.92 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 858, 859, 860,
 &end
#
#    0 AMB  10-2:116      0 AMB  10-1:116    3.50    (#    116:10  Double Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1607,1608,1601,1602, 868, 869,1584,1585,
 igr2= 854, 879,
 &end
#
#   57 SER  HA           58 ALA  HN          3.50    (#    117:10  Unique         2.26, 2.53 A)
 &rst
  ixpk= 117, nxpk= 10, iat= 845, 854, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  HA           60 VAL  HN          4.50    (#    118:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 118, nxpk= 10, iat= 881, 879, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HA           60 VAL  HN          5.50    (#    119:10  Unique         4.23, 4.34 A)
 &rst
  ixpk= 119, nxpk= 10, iat=1520, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:120     60 VAL  HN          4.50    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1541, 864,
 &end
#
#   59 GLU  HA           60 VAL  HN          2.80    (#    121:10  Unique         2.18, 2.23 A)
 &rst
  ixpk= 121, nxpk= 10, iat= 866, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  HB           60 VAL  HN          3.50    (#    122:10  Unique         2.42, 2.50 A)
 &rst
  ixpk= 122, nxpk= 10, iat= 883, 879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLU  HG+          60 VAL  HN          3.50    (#    123:10  Unique         2.63, 2.98 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 871, 872,
 &end
#
#    0 AMB  10-2:124     60 VAL  HN          4.50    (#    124:10  Single Ambig)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 868, 869,1562,1563,
 &end
#
#   60 VAL  MGX          60 VAL  HN          4.50    (#    125:10  Unique         2.13, 3.87 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   60 VAL  MGY          60 VAL  HN          2.80    (#    126:10  Unique         2.13, 3.87 A)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#  103 LYS  HA           60 VAL  HN          4.50    (#    128:10  Unique         3.40, 3.68 A)
 &rst
  ixpk= 128, nxpk= 10, iat=1560, 879, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:129     60 VAL  HN          7.00    (#    129:10  Single Ambig)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1545,1546,1584,1585,
 &end
#
#  114 GLU  HA          114 GLU  HN          7.00    (#    130:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 130, nxpk= 10, iat=1748,1746, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  114 GLU  HB+         114 GLU  HN          5.50    (#    131:10  Unique         2.37, 3.01 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,1746, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1750,1751,
 &end
#
#   23 HIS  HN           16 ILE  HN          5.50    (#    132:10  Unique         2.82, 3.15 A)
 &rst
  ixpk= 132, nxpk= 10, iat= 352, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TRP  HA           16 ILE  HN          5.50    (#    133:10  Unique         2.39, 3.02 A)
 &rst
  ixpk= 133, nxpk= 10, iat= 371, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 ILE  HA           16 ILE  HN          5.50    (#    134:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 134, nxpk= 10, iat= 229, 227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLU  HA           16 ILE  HN          2.80    (#    135:10  Unique         2.20, 2.29 A)
 &rst
  ixpk= 135, nxpk= 10, iat= 214, 227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:136      0 AMB  10-1:136    3.50    (#    136:10  Double Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 231,1568,1569,
 igr2= 227, 854,
 &end
#
#    0 AMB  10-2:137      0 AMB  10-1:137    3.50    (#    137:10  Double Ambig)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 237, 238,1604,1605, 216, 217,
 igr2= 227, 854,
 &end
#
#    0 AMB  10-2:138     16 ILE  HN          2.80    (#    138:10  Single Ambig)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 237, 238, 240, 241, 242,
 &end
#
#    0 AMB  10-2:139      0 AMB  10-1:139    4.50    (#    139:10  Double Ambig)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 808, 809, 810, 812, 813, 814, 233, 234, 235,
 igr2= 854, 227,
 &end
#
#  115 HIS  HN          114 GLU  HN          5.50    (#    140:10  Unique         2.57, 2.71 A)
 &rst
  ixpk= 140, nxpk= 10, iat=1761,1746, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  114 GLU  HA          114 GLU  HN          5.50    (#    141:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 141, nxpk= 10, iat=1748,1746, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 ARG  HA           63 GLU  HN          2.80    (#    142:10  Unique         2.24, 2.31 A)
 &rst
  ixpk= 142, nxpk= 10, iat= 919, 941, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 ILE  HA           63 GLU  HN          4.50    (#    143:10  Unique         3.19, 3.39 A)
 &rst
  ixpk= 143, nxpk= 10, iat= 527, 941, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:144     63 GLU  HN          3.50    (#    144:10  Single Ambig)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 945, 946, 948, 949,
 &end
#
#   62 ARG  HB-          63 GLU  HN          5.50    (#    145:10  Unique         2.53, 3.74 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 921, 922,
 &end
#
#   63 GLU  HB+          63 GLU  HN          3.50    (#    146:10  Unique         2.58, 3.31 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 945, 946,
 &end
#
#    0 AMB  10-2:147     63 GLU  HN          4.50    (#    147:10  Single Ambig)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 924, 925, 921, 922,
 &end
#
#   62 ARG  HG+          63 GLU  HN          4.50    (#    148:10  Unique         2.34, 3.42 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 924, 925,
 &end
#
#   33 VAL  MGY          63 GLU  HN          3.50    (#    149:10  Unique         2.85, 5.21 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HN           63 GLU  HN          3.50    (#    150:10  Unique         2.65, 2.74 A)
 &rst
  ixpk= 150, nxpk= 10, iat= 509, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 TYR  HD           63 GLU  HN          5.50    (#    151:10  Unique         2.89, 5.52 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 496, 505,
 &end
#
#   63 GLU  HA           63 GLU  HN          3.50    (#    152:10  Unique         2.91, 2.96 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 943, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:153     63 GLU  HN          4.50    (#    153:10  Single Ambig)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 535, 536, 963, 964,
 &end
#
#   33 VAL  MGX          63 GLU  HN          5.50    (#    154:10  Unique         2.85, 5.21 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  10-2:156     16 ILE  HN          7.00    (#    156:10  Single Ambig)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 356, 357,1098,1099,
 &end
#
#  114 GLU  HB-         114 GLU  HN          3.50    (#    158:10  Unique         2.37, 3.01 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1,1746, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1750,1751,
 &end
#
#  114 GLU  HB+         114 GLU  HN          4.50    (#    159:10  Unique         2.37, 3.01 A)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1,1746, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1750,1751,
 &end
#
#    8 PRO  HG+          31 GLY  HN          7.00    (#    161:10  Unique         5.69, 6.95 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 481, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 109, 110,
 &end
#
#   33 VAL  MGX          65 LEU  HN          5.50    (#    162:10  Unique         2.84, 4.86 A)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   66 GLU  HN           65 LEU  HN          4.50    (#    163:10  Unique         2.67, 2.77 A)
 &rst
  ixpk= 163, nxpk= 10, iat= 999, 980, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:164     65 LEU  HN          4.50    (#    164:10  Single Ambig)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 509, 956,
 &end
#
#   32 TYR  HA           65 LEU  HN          3.50    (#    165:10  Unique         2.04, 2.27 A)
 &rst
  ixpk= 165, nxpk= 10, iat= 490, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 ARG  HA           65 LEU  HN          2.80    (#    166:10  Unique         2.10, 2.18 A)
 &rst
  ixpk= 166, nxpk= 10, iat= 958, 980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 LEU  HA           65 LEU  HN          3.50    (#    167:10  Unique         2.81, 2.85 A)
 &rst
  ixpk= 167, nxpk= 10, iat= 982, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:168     65 LEU  HN          2.80    (#    168:10  Single Ambig)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 984, 985, 960, 961,
 &end
#
#   65 LEU  HB+          65 LEU  HN          2.80    (#    169:10  Unique         2.43, 2.52 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 984, 985,
 &end
#
#    0 AMB  10-2:170     65 LEU  HN          4.50    (#    170:10  Single Ambig)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
      1053,1054, 453, 454,
 &end
#
#    0 AMB  10-2:171     65 LEU  HN          4.50    (#    171:10  Single Ambig)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 &end
#
#   19 LEU  HN           18 ARG  HN          7.00    (#    174:10  Unique         2.25, 3.53 A)
 &rst
  ixpk= 174, nxpk= 10, iat= 290, 266, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   23 HIS  HN           18 ARG  HN          7.00    (#    175:10  Unique         3.02, 4.42 A)
 &rst
  ixpk= 175, nxpk= 10, iat= 352, 266, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:177     18 ARG  HN          3.50    (#    177:10  Single Ambig)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 341, 342, 270, 271, 273, 274,
 &end
#
#   18 ARG  HG-          18 ARG  HN          4.50    (#    178:10  Unique         2.38, 3.70 A)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 273, 274,
 &end
#
#    0 AMB  10-2:179     18 ARG  HN          4.50    (#    179:10  Single Ambig)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 250, 251, 276, 277,
 &end
#
#    0 AMB  10-2:180     18 ARG  HN          4.50    (#    180:10  Single Ambig)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 250, 251,1076,1077, 276, 277,
 &end
#
#   23 HIS  HA           24 TRP  HN          3.50    (#    182:10  Unique         2.33, 2.58 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 354, 369, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 TRP  HB+          24 TRP  HN          5.50    (#    183:10  Unique         2.40, 3.19 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 373, 374,
 &end
#
#    7 GLU  HA            7 GLU  HN          4.50    (#    184:10  Unique         2.18, 2.83 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  92,  90, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 PHE  HA           18 ARG  HN          3.50    (#    185:10  Unique         2.20, 2.29 A)
 &rst
  ixpk= 185, nxpk= 10, iat= 248, 266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 GLU  HA           18 ARG  HN          4.50    (#    186:10  Unique         1.98, 2.64 A)
 &rst
  ixpk= 186, nxpk= 10, iat= 339, 266, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 GLU  HG-          18 ARG  HN          5.50    (#    187:10  Unique         1.75, 3.63 A)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 344, 345,
 &end
#
#   18 ARG  HB+          18 ARG  HN          3.50    (#    188:10  Unique         2.12, 3.15 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 270, 271,
 &end
#
#   24 TRP  HB-          24 TRP  HN          5.50    (#    189:10  Unique         2.40, 3.19 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 373, 374,
 &end
#
#   24 TRP  HB-          24 TRP  HN          5.50    (#    190:10  Unique         2.40, 3.19 A)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 373, 374,
 &end
#
#   24 TRP  HA           24 TRP  HN          5.50    (#    191:10  Unique         2.93, 2.96 A)
 &rst
  ixpk= 191, nxpk= 10, iat= 371, 369, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:194      7 GLU  HN          5.50    (#    194:10  Single Ambig)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 129, 130,  97,  98,
 &end
#
#    0 AMB  10-2:195      7 GLU  HN          7.00    (#    195:10  Single Ambig)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1117, 195,
 &end
#
#    6 GLN  HA            7 GLU  HN          3.50    (#    196:10  Unique         2.17, 2.48 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  75,  90, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:197      7 GLU  HN          3.50    (#    197:10  Single Ambig)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  77,  78,  94,  95,
 &end
#
#   77 ASN  HN           78 ASN  HN          4.50    (#    198:10  Unique         2.18, 3.10 A)
 &rst
  ixpk= 198, nxpk= 10, iat=1155,1169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ASN  HA           78 ASN  HN          3.50    (#    199:10  Unique         2.21, 2.87 A)
 &rst
  ixpk= 199, nxpk= 10, iat=1171,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ASN  HB+          78 ASN  HN          5.50    (#    201:10  Unique         2.49, 4.37 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1159,1160,
 &end
#
#   76 VAL  MGY          78 ASN  HN          4.50    (#    202:10  Unique         2.95, 5.82 A)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   79 SER  HN           78 ASN  HN          3.50    (#    203:10  Unique         2.10, 2.70 A)
 &rst
  ixpk= 203, nxpk= 10, iat=1183,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:204     78 ASN  HN          5.50    (#    204:10  Single Ambig)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1178,1179,1178,1179,
 &end
#
#   77 ASN  HA           78 ASN  HN          3.50    (#    205:10  Unique         2.13, 2.60 A)
 &rst
  ixpk= 205, nxpk= 10, iat=1157,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:206     78 ASN  HN          3.50    (#    206:10  Single Ambig)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1173,1174,1159,1160,
 &end
#
#   78 ASN  HB+          78 ASN  HN          3.50    (#    207:10  Unique         2.17, 2.95 A)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1173,1174,
 &end
#
#    0 AMB  10-2:208     78 ASN  HN          7.00    (#    208:10  Single Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 183, 184, 185, 187, 188, 189,1145,1146,1147,1149,
      1150,1151,
 &end
#
#   54 LEU  HA           54 LEU  HN          7.00    (#    211:10  Unique         2.21, 2.87 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 801, 799, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:213     62 ARG  HN          4.50    (#    213:10  Single Ambig)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 924, 925, 902, 903,
 &end
#
#   61 LYS  HN           62 ARG  HN          5.50    (#    214:10  Unique         4.37, 4.42 A)
 &rst
  ixpk= 214, nxpk= 10, iat= 895, 917, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LYS  HA           62 ARG  HN          2.80    (#    215:10  Unique         2.20, 2.32 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 897, 917, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 ARG  HB-          62 ARG  HN          3.50    (#    216:10  Unique         2.36, 2.81 A)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 921, 922,
 &end
#
#    0 AMB  10-2:217     62 ARG  HN          2.80    (#    217:10  Single Ambig)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 921, 922, 924, 925, 899, 900,
 &end
#
#    0 AMB  10-2:218     62 ARG  HN          4.50    (#    218:10  Single Ambig)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1524,1525,1526,1528,1529,1530, 535, 536,
 &end
#
#   54 LEU  HB-          54 LEU  HN          3.50    (#    220:10  Unique         2.05, 3.13 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 803, 804,
 &end
#
#    0 AMB  10-2:223      0 AMB  10-1:223    4.50    (#    223:10  Double Ambig)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 789, 790, 791, 793, 794, 795, 299, 300, 301, 303,
       304, 305, 299, 300, 301, 303, 304, 305,
 igr2= 799, 686,
 &end
#
#  116 PHE  HD           36 LEU  HN          7.00    (#    225:10  Unique         3.73, 4.58 A)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1786,1794,
 &end
#
#    0 AMB  10-2:226     62 ARG  HN          4.50    (#    226:10  Single Ambig)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 941,1534,
 &end
#
#   62 ARG  HA           62 ARG  HN          4.50    (#    227:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 227, nxpk= 10, iat= 919, 917, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 LYS  HB-          62 ARG  HN          3.50    (#    228:10  Unique         2.46, 3.38 A)
 &rst
  ixpk= 228, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 899, 900,
 &end
#
#    0 AMB  10-2:229     62 ARG  HN          7.00    (#    229:10  Single Ambig)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
 igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540, 515,
       516, 517, 519, 520, 521,
 &end
#
#    0 AMB  10-2:230     62 ARG  HN          5.50    (#    230:10  Single Ambig)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 927, 928, 908, 909,
 &end
#
#    0 AMB  10-2:232      0 AMB  10-1:232    5.50    (#    232:10  Double Ambig)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 636, 637, 636, 637,
 igr2= 799, 686,
 &end
#
#   45 ALA  MB           45 ALA  HN          2.80    (#    233:10  Unique         2.35, 3.20 A)
 &rst
  ixpk= 233, nxpk= 10, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 690, 691, 692,
 &end
#
#   44 GLY  HA+          45 ALA  HN          2.80    (#    236:10  Unique         2.20, 3.01 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 681, 682,
 &end
#
#   41 GLU  HB+          45 ALA  HN          5.50    (#    237:10  Unique         2.80, 5.25 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 633, 634,
 &end
#
#    0 AMB  10-2:238     45 ALA  HN          4.50    (#    238:10  Single Ambig)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
#   35 HIS  HA           36 LEU  HN          3.50    (#    240:10  Unique         2.39, 2.52 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 546, 561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:242     36 LEU  HN          3.50    (#    242:10  Single Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 548, 549, 548, 549,
 &end
#
#   36 LEU  HB-          36 LEU  HN          4.50    (#    243:10  Unique         2.45, 2.83 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 565, 566,
 &end
#
#    0 AMB  10-2:244     36 LEU  HN          7.00    (#    244:10  Single Ambig)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
 igr1= 570, 571, 572, 574, 575, 576, 515, 516, 517, 519,
       520, 521, 240, 241, 242,
 &end
#
#   36 LEU  HG           36 LEU  HN          5.50    (#    246:10  Unique         4.30, 4.39 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 568, 561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 LEU  HB+          36 LEU  HN          3.50    (#    247:10  Unique         2.45, 2.83 A)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 565, 566,
 &end
#
#   75 ARG  HG-          76 VAL  HN          5.50    (#    249:10  Unique         2.42, 4.33 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1122,1123,
 &end
#
#   60 VAL  HA           35 HIS  HN          7.00    (#    250:10  Unique         4.21, 4.38 A)
 &rst
  ixpk= 250, nxpk= 10, iat= 881, 544, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:251     35 HIS  HN          4.50    (#    251:10  Single Ambig)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 899, 900, 529, 924, 925,
 &end
#
#    0 AMB  10-2:252     35 HIS  HN          4.50    (#    252:10  Single Ambig)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1= 535, 536,1524,1525,1526,1528,1529,1530, 397, 398,
       399,
 &end
#
#    0 AMB  10-2:254     76 VAL  HN          3.50    (#    254:10  Single Ambig)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1143,1119,1120,
 &end
#
#   76 VAL  MGX          76 VAL  HN          2.80    (#    255:10  Unique         1.97, 3.50 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   35 HIS  HD2          35 HIS  HN          2.80    (#    258:10  Unique         2.28, 2.49 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 557, 544, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 ARG  HA           35 HIS  HN          4.50    (#    259:10  Unique         3.42, 3.76 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 919, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ILE  HA           35 HIS  HN          2.80    (#    260:10  Unique         2.18, 2.24 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 527, 544, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 HIS  HA           35 HIS  HN          4.50    (#    261:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 261, nxpk= 10, iat= 546, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ILE  HG1+         35 HIS  HN          5.50    (#    262:10  Unique         3.73, 4.31 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 535, 536,
 &end
#
#   34 ILE  QG2          35 HIS  HN          3.50    (#    263:10  Unique         2.55, 3.39 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 531, 532, 533,
 &end
#
#    0 AMB  10-2:264     35 HIS  HN          3.50    (#    264:10  Single Ambig)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 885, 886, 887, 889, 890, 891, 515, 516, 517, 519,
       520, 521, 538, 539, 540,
 &end
#
#    0 AMB  10-2:265     35 HIS  HN          5.50    (#    265:10  Single Ambig)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 515, 516, 517, 519, 520, 521, 570, 571, 572, 574,
       575, 576,1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  10-2:270     26 LEU  HN          5.50    (#    270:10  Single Ambig)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 206, 207, 208, 410,
 &end
#
#   26 LEU  HA           26 LEU  HN          4.50    (#    271:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 271, nxpk= 10, iat= 405, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 HIS  HB-          26 LEU  HN          5.50    (#    272:10  Unique         3.99, 4.78 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 548, 549,
 &end
#
#    0 AMB  10-2:273     26 LEU  HN          7.00    (#    273:10  Single Ambig)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1= 531, 532, 533,1849,1850,
 &end
#
#    0 AMB  10-2:275     92 ILE  HN          5.50    (#    275:10  Single Ambig)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1380,1447,1448,
 &end
#
#    0 AMB  10-2:276     92 ILE  HN          3.50    (#    276:10  Single Ambig)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1382,1337,1338,
 &end
#
#    0 AMB  10-2:277     92 ILE  HN          4.50    (#    277:10  Single Ambig)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 &end
#
#   91 VAL  HN           92 ILE  HN          3.50    (#    278:10  Unique         2.44, 2.53 A)
 &rst
  ixpk= 278, nxpk= 10, iat=1378,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 VAL  HA           92 ILE  HN          4.50    (#    279:10  Unique         3.41, 3.59 A)
 &rst
  ixpk= 279, nxpk= 10, iat=1349,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HA           92 ILE  HN          3.50    (#    280:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 280, nxpk= 10, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HB           92 ILE  HN          3.50    (#    281:10  Unique         2.21, 2.57 A)
 &rst
  ixpk= 281, nxpk= 10, iat=1398,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HG1+         92 ILE  HN          2.80    (#    282:10  Unique         1.98, 3.01 A)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   92 ILE  HG1-         92 ILE  HN          3.50    (#    283:10  Unique         1.98, 3.01 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#    0 AMB  10-2:284     92 ILE  HN          3.50    (#    284:10  Single Ambig)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1=1384,1385,1386,1388,1389,1390,1923,1924,1353,1354,
      1355,1357,1358,1359,
 &end
#
#   92 ILE  QD1          92 ILE  HN          3.50    (#    285:10  Unique         2.58, 3.89 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1407,1408,1409,
 &end
#
#   12 ASP  HB+           9 LYS  HN          5.50    (#    286:10  Unique         1.91, 2.49 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 166, 167,
 &end
#
#   34 ILE  HN           26 LEU  HN          3.50    (#    287:10  Unique         2.36, 2.55 A)
 &rst
  ixpk= 287, nxpk= 10, iat= 525, 403, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 ALA  HA           26 LEU  HN          2.80    (#    288:10  Unique         2.34, 2.43 A)
 &rst
  ixpk= 288, nxpk= 10, iat= 395, 403, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 LEU  HB-          26 LEU  HN          3.50    (#    289:10  Unique         2.53, 2.80 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 407, 408,
 &end
#
#   26 LEU  HB+          26 LEU  HN          2.80    (#    290:10  Unique         2.53, 2.80 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 407, 408,
 &end
#
#   25 ALA  MB           26 LEU  HN          3.50    (#    291:10  Unique         2.23, 3.20 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 397, 398, 399,
 &end
#
#   33 VAL  MGX          26 LEU  HN          4.50    (#    292:10  Unique         2.97, 5.04 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   25 ALA  HA           26 LEU  HN          7.00    (#    293:10  Unique         2.34, 2.43 A)
 &rst
  ixpk= 293, nxpk= 10, iat= 395, 403, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   93 ILE  HN           92 ILE  HN          3.50    (#    296:10  Unique         2.44, 2.56 A)
 &rst
  ixpk= 296, nxpk= 10, iat=1413,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 LYS  HA            9 LYS  HN          3.50    (#    298:10  Unique         2.91, 2.98 A)
 &rst
  ixpk= 298, nxpk= 10, iat= 121, 119, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 PRO  HA            9 LYS  HN          2.80    (#    299:10  Unique         2.34, 2.41 A)
 &rst
  ixpk= 299, nxpk= 10, iat= 115, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 ASP  HB-           9 LYS  HN          4.50    (#    300:10  Unique         1.91, 2.49 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 166, 167,
 &end
#
#    0 AMB  10-2:301      9 LYS  HN          3.50    (#    301:10  Single Ambig)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 123, 124, 123, 124,
 &end
#
#    9 LYS  HG+           9 LYS  HN          4.50    (#    302:10  Unique         2.61, 4.16 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 126, 127,
 &end
#
#   76 VAL  MGX           9 LYS  HN          3.50    (#    303:10  Unique         3.05, 5.33 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#    8 PRO  HB+           9 LYS  HN          3.50    (#    304:10  Unique         2.63, 3.22 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 112, 113,
 &end
#
#   23 HIS  HB+          23 HIS  HN          4.50    (#    306:10  Unique         2.81, 3.52 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 356, 357,
 &end
#
#   23 HIS  HA           23 HIS  HN          4.50    (#    307:10  Unique         2.81, 2.92 A)
 &rst
  ixpk= 307, nxpk= 10, iat= 354, 352, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 HIS  HB-          23 HIS  HN          4.50    (#    308:10  Unique         2.81, 3.52 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 356, 357,
 &end
#
#    0 AMB  10-2:309     23 HIS  HN          5.50    (#    309:10  Single Ambig)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 237, 238, 240, 241, 242,
 &end
#
#   22 GLU  HA           23 HIS  HN          3.50    (#    311:10  Unique         2.17, 2.37 A)
 &rst
  ixpk= 311, nxpk= 10, iat= 339, 352, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 GLU  HB-          23 HIS  HN          5.50    (#    312:10  Unique         2.43, 3.37 A)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 341, 342,
 &end
#
#    0 AMB  10-2:313     23 HIS  HN          4.50    (#    313:10  Single Ambig)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 341, 342, 270, 271, 273, 274,
 &end
#
#   66 GLU  HN           64 ARG  HN          7.00    (#    316:10  Unique         5.59, 5.76 A)
 &rst
  ixpk= 316, nxpk= 10, iat= 999, 956, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:317     64 ARG  HN          4.50    (#    317:10  Single Ambig)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 496, 505,1014,
 &end
#
#    0 AMB  10-2:318     64 ARG  HN          4.50    (#    318:10  Single Ambig)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 515, 516, 517, 519, 520, 521,
 &end
#
#   16 ILE  HN           23 HIS  HN          5.50    (#    319:10  Unique         2.82, 3.15 A)
 &rst
  ixpk= 319, nxpk= 10, iat= 227, 352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   63 GLU  HA           64 ARG  HN          2.80    (#    324:10  Unique         2.32, 2.41 A)
 &rst
  ixpk= 324, nxpk= 10, iat= 943, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 ARG  HA           64 ARG  HN          3.50    (#    325:10  Unique         2.90, 2.95 A)
 &rst
  ixpk= 325, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 ASP  HB-          64 ARG  HN          4.50    (#    326:10  Unique         3.03, 3.87 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1018,1019,
 &end
#
#   63 GLU  HG+          64 ARG  HN          4.50    (#    327:10  Unique         2.51, 4.49 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 948, 949,
 &end
#
#    0 AMB  10-2:328     64 ARG  HN          3.50    (#    328:10  Single Ambig)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 945, 946, 948, 949,
 &end
#
#   64 ARG  HG+          64 ARG  HN          2.80    (#    329:10  Unique         2.32, 3.33 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 963, 964,
 &end
#
#   64 ARG  HG-          64 ARG  HN          3.50    (#    330:10  Unique         2.32, 3.33 A)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 963, 964,
 &end
#
#   84 TYR  HN           81 ASP  HN          5.50    (#    331:10  Unique         4.75, 5.46 A)
 &rst
  ixpk= 331, nxpk= 10, iat=1257,1213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 LEU  HB+          81 ASP  HN          4.50    (#    332:10  Unique         2.62, 3.46 A)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1,1213, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1198,1199,
 &end
#
#   79 SER  HA           81 ASP  HN          5.50    (#    333:10  Unique         3.27, 4.13 A)
 &rst
  ixpk= 333, nxpk= 10, iat=1185,1213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:334     81 ASP  HN          5.50    (#    334:10  Single Ambig)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1,1213, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#  112 ASN  HB+         112 ASN  HN          7.00    (#    335:10  Unique         2.10, 2.65 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1,1721, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1725,1726,
 &end
#
#  111 ARG  HA          112 ASN  HN          3.50    (#    336:10  Unique         3.55, 3.57 A)
 &rst
  ixpk= 336, nxpk= 10, iat=1699,1721, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 LYS  HA          125 SER  HN          3.50    (#    345:10  Unique         3.21, 3.46 A)
 &rst
  ixpk= 345, nxpk= 10, iat=1918,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 SER  HA          125 SER  HN          3.50    (#    346:10  Unique         2.68, 2.83 A)
 &rst
  ixpk= 346, nxpk= 10, iat=1940,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 LYS  HB-         125 SER  HN          4.50    (#    347:10  Unique         3.10, 3.87 A)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1920,1921,
 &end
#
#  124 LYS  HB+         125 SER  HN          4.50    (#    348:10  Unique         3.10, 3.87 A)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1920,1921,
 &end
#
#  124 LYS  HN          125 SER  HN          5.50    (#    349:10  Unique         1.77, 1.86 A)
 &rst
  ixpk= 349, nxpk= 10, iat=1916,1938, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 SER  HB+         125 SER  HN          3.50    (#    351:10  Unique         2.35, 3.08 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1942,1943,
 &end
#
#    0 AMB  10-2:352    125 SER  HN          4.50    (#    352:10  Single Ambig)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1923,1924,1923,1924,
 &end
#
#  121 ARG  HE           81 ASP  HN          5.50    (#    355:10  Unique         2.84, 5.87 A)
 &rst
  ixpk= 355, nxpk= 10, iat=1877,1213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 LEU  HN           81 ASP  HN          3.50    (#    356:10  Unique         1.94, 2.58 A)
 &rst
  ixpk= 356, nxpk= 10, iat=1194,1213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 ASP  HA           81 ASP  HN          3.50    (#    357:10  Unique         2.79, 2.84 A)
 &rst
  ixpk= 357, nxpk= 10, iat=1215,1213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:359     81 ASP  HN          3.50    (#    359:10  Single Ambig)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,1213, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1196,1227,
 &end
#
#   81 ASP  HB-          81 ASP  HN          2.80    (#    360:10  Unique         2.16, 2.67 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1,1213, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1217,1218,
 &end
#
#   81 ASP  HB+          81 ASP  HN          3.50    (#    361:10  Unique         2.16, 2.67 A)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1,1213, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1217,1218,
 &end
#
#  111 ARG  HB+         111 ARG  HN          7.00    (#    364:10  Unique         2.42, 2.60 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1,1697, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1701,1702,
 &end
#
#  118 THR  HN          119 GLN  HN          3.50    (#    368:10  Unique         2.57, 2.68 A)
 &rst
  ixpk= 368, nxpk= 10, iat=1814,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:369    119 GLN  HN          3.50    (#    369:10  Single Ambig)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1818,1780,
 &end
#
#  119 GLN  HA          119 GLN  HN          3.50    (#    370:10  Unique         2.80, 2.85 A)
 &rst
  ixpk= 370, nxpk= 10, iat=1830,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 GLN  HG-         119 GLN  HN          3.50    (#    371:10  Unique         2.36, 3.17 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1835,1836,
 &end
#
#  119 GLN  HB-         119 GLN  HN          2.80    (#    372:10  Unique         1.95, 2.97 A)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#  119 GLN  HB+         119 GLN  HN          2.80    (#    373:10  Unique         1.95, 2.97 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#    0 AMB  10-2:374    119 GLN  HN          4.50    (#    374:10  Single Ambig)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1852,1804,1805,1806,1808,1809,1810,1868,1869,
 &end
#
#    0 AMB  10-2:375    125 SER  HN          5.50    (#    375:10  Single Ambig)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1888,1877,
 &end
#
#  120 LEU  HN          119 GLN  HN          3.50    (#    378:10  Unique         2.62, 2.73 A)
 &rst
  ixpk= 378, nxpk= 10, iat=1845,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 THR  HA          119 GLN  HN          4.50    (#    379:10  Unique         3.59, 3.62 A)
 &rst
  ixpk= 379, nxpk= 10, iat=1816,1828, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 GLN  HG+         119 GLN  HN          3.50    (#    380:10  Unique         2.36, 3.17 A)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1835,1836,
 &end
#
#  116 PHE  HN          119 GLN  HN          5.50    (#    381:10  Unique         4.61, 4.74 A)
 &rst
  ixpk= 381, nxpk= 10, iat=1778,1828, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:382    119 GLN  HN          4.50    (#    382:10  Single Ambig)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1=1820,1821,1822,1804,1805,1806,1808,1809,1810,1868,
      1869,
 &end
#
#    0 AMB  10-2:383     80 LEU  HN          4.50    (#    383:10  Single Ambig)
 &rst
  ixpk= 383, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1217,1218,1874,1875,
 &end
#
#   79 SER  HB-          80 LEU  HN          3.50    (#    386:10  Unique         2.33, 3.48 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1187,1188,
 &end
#
#   26 LEU  HA           14 ILE  HN          4.50    (#    388:10  Unique         3.17, 3.62 A)
 &rst
  ixpk= 388, nxpk= 10, iat= 405, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  HB-          14 ILE  HN          5.50    (#    389:10  Unique         2.38, 3.67 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 178, 179,
 &end
#
#   14 ILE  HB           14 ILE  HN          2.80    (#    390:10  Unique         2.63, 2.79 A)
 &rst
  ixpk= 390, nxpk= 10, iat= 197, 193, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:391     14 ILE  HN          5.50    (#    391:10  Single Ambig)
 &rst
  ixpk= 391, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1804,1805,1806,1808,1809,1810, 407, 408,
 &end
#
#   25 ALA  MB           14 ILE  HN          4.50    (#    392:10  Unique         3.61, 4.81 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 397, 398, 399,
 &end
#
#   14 ILE  HA           14 ILE  HN          4.50    (#    393:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 393, nxpk= 10, iat= 195, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 ASP  HN           80 LEU  HN          3.50    (#    395:10  Unique         1.94, 2.58 A)
 &rst
  ixpk= 395, nxpk= 10, iat=1213,1194, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:396     80 LEU  HN          3.50    (#    396:10  Single Ambig)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1183,1877,
 &end
#
#   78 ASN  HA           80 LEU  HN          7.00    (#    397:10  Unique         3.37, 4.00 A)
 &rst
  ixpk= 397, nxpk= 10, iat=1171,1194, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   80 LEU  HA           80 LEU  HN          3.50    (#    398:10  Unique         2.83, 2.88 A)
 &rst
  ixpk= 398, nxpk= 10, iat=1196,1194, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 SER  HA           80 LEU  HN          3.50    (#    399:10  Unique         3.46, 3.55 A)
 &rst
  ixpk= 399, nxpk= 10, iat=1185,1194, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 LEU  HG           80 LEU  HN          4.50    (#    400:10  Unique         2.67, 4.30 A)
 &rst
  ixpk= 400, nxpk= 10, iat=1201,1194, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 LEU  HB+          80 LEU  HN          2.80    (#    401:10  Unique         2.33, 2.60 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1198,1199,
 &end
#
#    0 AMB  10-2:402     80 LEU  HN          3.50    (#    402:10  Single Ambig)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#   25 ALA  HN           14 ILE  HN          3.50    (#    403:10  Unique         2.55, 2.76 A)
 &rst
  ixpk= 403, nxpk= 10, iat= 393, 193, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 LEU  HN           14 ILE  HN          5.50    (#    404:10  Unique         4.22, 4.41 A)
 &rst
  ixpk= 404, nxpk= 10, iat= 174, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  HA           14 ILE  HN          2.80    (#    405:10  Unique         2.12, 2.23 A)
 &rst
  ixpk= 405, nxpk= 10, iat= 176, 193, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 ILE  HG1-         14 ILE  HN          3.50    (#    406:10  Unique         2.35, 3.08 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 203, 204,
 &end
#
#   13 LEU  MDX          14 ILE  HN          3.50    (#    407:10  Unique         1.96, 4.79 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   14 ILE  QD1          14 ILE  HN          4.50    (#    408:10  Unique         2.33, 4.61 A)
 &rst
  ixpk= 408, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 206, 207, 208,
 &end
#
#   19 LEU  HB-          19 LEU  HN          3.50    (#    410:10  Unique         2.48, 3.30 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 294, 295,
 &end
#
#    0 AMB  10-2:411     19 LEU  HN          2.80    (#    411:10  Single Ambig)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 297, 294, 295,
 &end
#
#   18 ARG  HB+          19 LEU  HN          4.50    (#    412:10  Unique         1.81, 2.57 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 270, 271,
 &end
#
#    0 AMB  10-2:413     25 ALA  HN          4.50    (#    413:10  Single Ambig)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1804,1805,1806,1808,1809,1810, 407, 408,
 &end
#
#   24 TRP  HA           25 ALA  HN          2.80    (#    415:10  Unique         2.23, 2.39 A)
 &rst
  ixpk= 415, nxpk= 10, iat= 371, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 TRP  HB+          25 ALA  HN          3.50    (#    416:10  Unique         2.22, 3.15 A)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 373, 374,
 &end
#
#   24 TRP  HB-          25 ALA  HN          4.50    (#    417:10  Unique         2.22, 3.15 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 373, 374,
 &end
#
#    0 AMB  10-2:418     25 ALA  HN          4.50    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 237, 238, 199, 200, 201,
 &end
#
#   24 TRP  HA           14 ILE  HN          7.00    (#    419:10  Unique         4.26, 4.66 A)
 &rst
  ixpk= 419, nxpk= 10, iat= 371, 193, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:421     19 LEU  HN          3.50    (#    421:10  Single Ambig)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 292, 675,
 &end
#
#    0 AMB  10-2:422     19 LEU  HN          4.50    (#    422:10  Single Ambig)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 &end
#
#   14 ILE  HN           25 ALA  HN          4.50    (#    424:10  Unique         2.55, 2.76 A)
 &rst
  ixpk= 424, nxpk= 10, iat= 193, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 ALA  HA           25 ALA  HN          5.50    (#    425:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 425, nxpk= 10, iat= 395, 393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 ILE  HB           25 ALA  HN          4.50    (#    426:10  Unique         2.96, 3.15 A)
 &rst
  ixpk= 426, nxpk= 10, iat= 197, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:427     25 ALA  HN          3.50    (#    427:10  Single Ambig)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 237, 238,1804,1805,1806,1808,1809,1810, 203, 204,
      
 &end
#
#   25 ALA  MB           25 ALA  HN          3.50    (#    428:10  Unique         2.76, 3.38 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 397, 398, 399,
 &end
#
#    0 AMB  10-2:433     87 ARG  HN          2.80    (#    433:10  Single Ambig)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1311,1305,
 &end
#
#   86 PRO  HG+          87 ARG  HN          4.50    (#    434:10  Unique         2.87, 4.28 A)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1299,1300,
 &end
#
#   86 PRO  HB+          87 ARG  HN          4.50    (#    436:10  Unique         3.30, 4.33 A)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1302,1303,
 &end
#
#   87 ARG  HB+          87 ARG  HN          2.80    (#    437:10  Unique         2.50, 3.25 A)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1313,1314,
 &end
#
#  124 LYS  HB+          87 ARG  HN          5.50    (#    438:10  Unique         3.89, 5.10 A)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1920,1921,
 &end
#
#  121 ARG  HB-          87 ARG  HN          7.00    (#    439:10  Unique         5.13, 6.92 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1868,1869,
 &end
#
#   92 ILE  QD1          87 ARG  HN          5.50    (#    440:10  Unique         4.60, 5.59 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1407,1408,1409,
 &end
#
#    0 AMB  10-2:441    103 LYS  HN          5.50    (#    441:10  Single Ambig)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 871, 872,1591,1592,1593,
 &end
#
#   10 PRO  HA           12 ASP  HN          4.50    (#    442:10  Unique         3.44, 3.78 A)
 &rst
  ixpk= 442, nxpk= 10, iat= 151, 162, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLN  HN          103 LYS  HN          4.50    (#    443:10  Unique         4.35, 4.52 A)
 &rst
  ixpk= 443, nxpk= 10, iat=1541,1558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  103 LYS  HA          103 LYS  HN          3.50    (#    444:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 444, nxpk= 10, iat=1560,1558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLN  HA          103 LYS  HN          2.80    (#    445:10  Unique         2.09, 2.21 A)
 &rst
  ixpk= 445, nxpk= 10, iat=1543,1558, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLN  HG-         103 LYS  HN          4.50    (#    446:10  Unique         3.83, 4.86 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1548,1549,
 &end
#
#  102 GLN  HG+         103 LYS  HN          4.50    (#    447:10  Unique         3.83, 4.86 A)
 &rst
  ixpk= 447, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1548,1549,
 &end
#
#  102 GLN  HB-         103 LYS  HN          3.50    (#    448:10  Unique         2.26, 3.37 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1545,1546,
 &end
#
#  103 LYS  HB-         103 LYS  HN          2.80    (#    449:10  Unique         2.30, 3.10 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1562,1563,
 &end
#
#    0 AMB  10-2:450    103 LYS  HN          3.50    (#    450:10  Single Ambig)
 &rst
  ixpk= 450, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1565,1566,1568,1569,
 &end
#
#  103 LYS  HG+         103 LYS  HN          3.50    (#    451:10  Unique         2.87, 3.62 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1565,1566,
 &end
#
#   11 GLY  HA-          12 ASP  HN          3.50    (#    453:10  Unique         3.12, 3.37 A)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 157, 158,
 &end
#
#   12 ASP  HB-          12 ASP  HN          2.80    (#    454:10  Unique         2.32, 2.61 A)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 166, 167,
 &end
#
#   12 ASP  HB+          12 ASP  HN          3.50    (#    455:10  Unique         2.32, 2.61 A)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 166, 167,
 &end
#
#    0 AMB  10-2:456     12 ASP  HN          7.00    (#    456:10  Single Ambig)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
 igr1= 412, 413, 414, 416, 417, 418, 203, 204,1423,1424,
      
 &end
#
#    0 AMB  10-2:457     12 ASP  HN          4.50    (#    457:10  Single Ambig)
 &rst
  ixpk= 457, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1= 412, 413, 414, 416, 417, 418, 112, 113,1426,1427,
      1428,
 &end
#
#   13 LEU  HN           12 ASP  HN          7.00    (#    458:10  Unique         4.54, 4.60 A)
 &rst
  ixpk= 458, nxpk= 10, iat= 174, 162, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   11 GLY  HA+          12 ASP  HN          3.50    (#    459:10  Unique         3.12, 3.37 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 157, 158,
 &end
#
#  104 MET  HN          103 LYS  HN          4.50    (#    461:10  Unique         4.40, 4.49 A)
 &rst
  ixpk= 461, nxpk= 10, iat=1580,1558, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:462     12 ASP  HN          3.50    (#    462:10  Single Ambig)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 155, 119,
 &end
#
#   27 TYR  HD           12 ASP  HN          5.50    (#    463:10  Unique         3.65, 5.00 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 430, 439,
 &end
#
#   12 ASP  HA           12 ASP  HN          3.50    (#    464:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 464, nxpk= 10, iat= 164, 162, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:465     12 ASP  HN          7.00    (#    465:10  Single Ambig)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
 igr1= 206, 207, 208, 410, 989, 990, 991, 993, 994, 995,
      
 &end
#
#   72 CYS  HN           73 CYS  HN          5.50    (#    473:10  Unique         4.17, 4.35 A)
 &rst
  ixpk= 473, nxpk= 10, iat=1072,1083, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 ALA  MB           59 GLU  HN          3.50    (#    474:10  Unique         2.50, 3.53 A)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 858, 859, 860,
 &end
#
#   36 LEU  MDX          59 GLU  HN          7.00    (#    475:10  Unique         2.07, 4.44 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#   59 GLU  HA           59 GLU  HN          4.50    (#    476:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HB+          59 GLU  HN          2.80    (#    477:10  Unique         2.93, 3.17 A)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 868, 869,
 &end
#
#   72 CYS  HB-          73 CYS  HN          3.50    (#    481:10  Unique         2.28, 3.70 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1,1083, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1076,1077,
 &end
#
#   58 ALA  HA           59 GLU  HN          2.80    (#    483:10  Unique         2.35, 2.41 A)
 &rst
  ixpk= 483, nxpk= 10, iat= 856, 864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 TYR  HD           32 TYR  HN          3.50    (#    484:10  Unique         3.32, 4.36 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 496, 505,
 &end
#
#   32 TYR  HB+          32 TYR  HN          3.50    (#    485:10  Unique         2.68, 3.27 A)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#    0 AMB  10-2:486     32 TYR  HN          5.50    (#    486:10  Single Ambig)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
 &end
#
#    0 AMB  10-2:488     73 CYS  HN          2.80    (#    488:10  Single Ambig)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1,1083, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1074,1085,
 &end
#
#    0 AMB  10-2:489     73 CYS  HN          2.80    (#    489:10  Single Ambig)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1,1083, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1076,1077, 250, 251,1087,1088,
 &end
#
#    0 AMB  10-2:490      0 AMB  10-1:490    4.50    (#    490:10  Double Ambig)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1= 871, 872, 871, 872,1591,1592,1593,
 igr2=1541, 864,
 &end
#
#    0 AMB  10-2:491      0 AMB  10-1:491    4.50    (#    491:10  Double Ambig)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 879, 854,
 igr2=1541, 864,
 &end
#
#   59 GLU  HA           59 GLU  HN          5.50    (#    493:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  103 LYS  HN          102 GLN  HN          5.50    (#    494:10  Unique         4.35, 4.52 A)
 &rst
  ixpk= 494, nxpk= 10, iat=1558,1541, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLY  HN           32 TYR  HN          3.50    (#    496:10  Unique         1.84, 1.94 A)
 &rst
  ixpk= 496, nxpk= 10, iat= 481, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 GLY  HN           32 TYR  HN          4.50    (#    497:10  Unique         3.05, 3.12 A)
 &rst
  ixpk= 497, nxpk= 10, iat= 462, 488, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HA           32 TYR  HN          3.50    (#    499:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 499, nxpk= 10, iat= 490, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 TYR  HB-          32 TYR  HN          3.50    (#    500:10  Unique         2.68, 3.27 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   28 ILE  HG1-         32 TYR  HN          5.50    (#    501:10  Unique         3.99, 4.77 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 453, 454,
 &end
#
#   31 GLY  HA+          32 TYR  HN          4.50    (#    502:10  Unique         3.01, 3.39 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 483, 484,
 &end
#
#   31 GLY  HA-          32 TYR  HN          3.50    (#    503:10  Unique         3.01, 3.39 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 483, 484,
 &end
#
#    0 AMB  10-2:504     32 TYR  HN          5.50    (#    504:10  Single Ambig)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 453, 454, 109, 110,
 &end
#
#   36 LEU  MDX         104 MET  HN          5.50    (#    505:10  Unique         3.62, 5.55 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  HA          104 MET  HN          3.50    (#    506:10  Unique         2.91, 2.95 A)
 &rst
  ixpk= 506, nxpk= 10, iat=1582,1580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLY  HN          102 GLN  HN          3.50    (#    507:10  Unique         2.52, 2.66 A)
 &rst
  ixpk= 507, nxpk= 10, iat=1534,1541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 LYS  HN          102 GLN  HN          4.50    (#    508:10  Unique         4.35, 4.52 A)
 &rst
  ixpk= 508, nxpk= 10, iat=1558,1541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLN  HA          102 GLN  HN          3.50    (#    509:10  Unique         2.88, 2.91 A)
 &rst
  ixpk= 509, nxpk= 10, iat=1543,1541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLY  HA+         102 GLN  HN          3.50    (#    510:10  Unique         3.14, 3.39 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1536,1537,
 &end
#
#  100 VAL  HA          102 GLN  HN          3.50    (#    511:10  Unique         3.34, 3.45 A)
 &rst
  ixpk= 511, nxpk= 10, iat=1520,1541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLN  HG-         102 GLN  HN          3.50    (#    512:10  Unique         2.49, 3.06 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1548,1549,
 &end
#
#    0 AMB  10-2:513    102 GLN  HN          2.80    (#    513:10  Single Ambig)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1548,1549, 883,
 &end
#
#  102 GLN  HB-         102 GLN  HN          3.50    (#    514:10  Unique         2.37, 3.19 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1545,1546,
 &end
#
#   60 VAL  MGX         102 GLN  HN          4.50    (#    515:10  Unique         4.00, 4.96 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   60 VAL  MGY         102 GLN  HN          3.50    (#    516:10  Unique         4.00, 4.96 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  10-2:519    104 MET  HN          5.50    (#    519:10  Single Ambig)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1565,1566,1604,1605,
 &end
#
#  104 MET  HG-         104 MET  HN          5.50    (#    520:10  Unique         2.97, 3.64 A)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1587,1588,
 &end
#
#  104 MET  HG+         104 MET  HN          5.50    (#    521:10  Unique         2.97, 3.64 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1587,1588,
 &end
#
#    0 AMB  10-2:522    104 MET  HN          5.50    (#    522:10  Single Ambig)
 &rst
  ixpk= 522, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1597,1558,
 &end
#
#  103 LYS  HA          104 MET  HN          2.80    (#    523:10  Unique         2.23, 2.33 A)
 &rst
  ixpk= 523, nxpk= 10, iat=1560,1580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   59 GLU  HA          104 MET  HN          4.50    (#    524:10  Unique         3.43, 3.63 A)
 &rst
  ixpk= 524, nxpk= 10, iat= 866,1580, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  104 MET  HB-         104 MET  HN          5.50    (#    525:10  Unique         2.86, 3.45 A)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1584,1585,
 &end
#
#    0 AMB  10-2:526    104 MET  HN          2.80    (#    526:10  Single Ambig)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1562,1563,1584,1585,
 &end
#
#   58 ALA  MB          104 MET  HN          5.50    (#    527:10  Unique         2.30, 3.71 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 858, 859, 860,
 &end
#
#   84 TYR  HN           85 GLN  HN          4.50    (#    529:10  Unique         2.01, 2.55 A)
 &rst
  ixpk= 529, nxpk= 10, iat=1257,1278, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:530     85 GLN  HN          7.00    (#    530:10  Single Ambig)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1267,1272,1896,1905,
 &end
#
#   85 GLN  HA           85 GLN  HN          3.50    (#    531:10  Unique         2.79, 2.92 A)
 &rst
  ixpk= 531, nxpk= 10, iat=1280,1278, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 TYR  HB-          85 GLN  HN          3.50    (#    533:10  Unique         1.79, 3.03 A)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1261,1262,
 &end
#
#   85 GLN  HG+          85 GLN  HN          4.50    (#    534:10  Unique         3.00, 4.41 A)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1285,1286,
 &end
#
#    0 AMB  10-2:535     85 GLN  HN          2.80    (#    535:10  Single Ambig)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1261,1262,1282,1283,
 &end
#
#    0 AMB  10-2:538     68 VAL  HN          5.50    (#    538:10  Single Ambig)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 960, 961, 984, 985,
 &end
#
#   67 ASP  HA           68 VAL  HN          4.50    (#    539:10  Unique         3.56, 3.58 A)
 &rst
  ixpk= 539, nxpk= 10, iat=1016,1026, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:540     68 VAL  HN          4.50    (#    540:10  Single Ambig)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 960, 961,1046,
 &end
#
#   68 VAL  HB           68 VAL  HN          3.50    (#    541:10  Unique         2.35, 2.52 A)
 &rst
  ixpk= 541, nxpk= 10, iat=1030,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 VAL  HA           91 VAL  HN          5.50    (#    542:10  Unique         4.21, 4.41 A)
 &rst
  ixpk= 542, nxpk= 10, iat=1349,1378, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:547     85 GLN  HN          5.50    (#    547:10  Single Ambig)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1296,1297,1244,
 &end
#
#    0 AMB  10-2:549     85 GLN  HN          5.50    (#    549:10  Single Ambig)
 &rst
  ixpk= 549, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1296,1297,1334,1335,
 &end
#
#   33 VAL  HA           28 ILE  HN          4.50    (#    550:10  Unique         2.36, 2.48 A)
 &rst
  ixpk= 550, nxpk= 10, iat= 511, 443, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HA           28 ILE  HN          7.00    (#    551:10  Unique         6.07, 6.17 A)
 &rst
  ixpk= 551, nxpk= 10, iat= 405, 443, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:552     28 ILE  HN          2.80    (#    552:10  Single Ambig)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1, 443, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 449, 450, 451, 515, 516, 517, 519, 520, 521,
 &end
#
#   28 ILE  HG1-         28 ILE  HN          4.50    (#    553:10  Unique         2.64, 2.81 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1, 443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 453, 454,
 &end
#
#    0 AMB  10-2:554     68 VAL  HN          5.50    (#    554:10  Single Ambig)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 948, 949, 945, 946,1006,1007,
 &end
#
#   69 VAL  HN           68 VAL  HN          3.50    (#    555:10  Unique         2.77, 2.84 A)
 &rst
  ixpk= 555, nxpk= 10, iat=1042,1026, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 ASP  HN           68 VAL  HN          2.80    (#    556:10  Unique         2.35, 2.40 A)
 &rst
  ixpk= 556, nxpk= 10, iat=1014,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 VAL  HA           68 VAL  HN          2.80    (#    557:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 557, nxpk= 10, iat=1028,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:558     68 VAL  HN          3.50    (#    558:10  Single Ambig)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1018,1019,1018,1019,
 &end
#
#    0 AMB  10-2:559     68 VAL  HN          4.50    (#    559:10  Single Ambig)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
       994, 995,
 &end
#
#    0 AMB  10-2:560     68 VAL  HN          2.80    (#    560:10  Single Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   88 PRO  HB+          91 VAL  HN          3.50    (#    561:10  Unique         3.07, 4.12 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1340,1341,
 &end
#
#   90 GLU  HN           91 VAL  HN          3.50    (#    562:10  Unique         2.57, 2.68 A)
 &rst
  ixpk= 562, nxpk= 10, iat=1363,1378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HN           91 VAL  HN          3.50    (#    563:10  Unique         2.44, 2.53 A)
 &rst
  ixpk= 563, nxpk= 10, iat=1394,1378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 GLU  HA           91 VAL  HN          4.50    (#    564:10  Unique         3.48, 3.51 A)
 &rst
  ixpk= 564, nxpk= 10, iat=1365,1378, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HA           91 VAL  HN          3.50    (#    565:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 565, nxpk= 10, iat=1380,1378, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 PRO  HD-          91 VAL  HN          5.50    (#    566:10  Unique         5.37, 6.13 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1334,1335,
 &end
#
#   88 PRO  HB-          91 VAL  HN          5.50    (#    567:10  Unique         3.07, 4.12 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1340,1341,
 &end
#
#   90 GLU  HG+          91 VAL  HN          4.50    (#    568:10  Unique         2.43, 4.14 A)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1370,1371,
 &end
#
#   91 VAL  HB           91 VAL  HN          2.80    (#    569:10  Unique         2.34, 2.48 A)
 &rst
  ixpk= 569, nxpk= 10, iat=1382,1378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 GLU  HB-          91 VAL  HN          3.50    (#    570:10  Unique         2.73, 3.57 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1367,1368,
 &end
#
#   91 VAL  MGX          91 VAL  HN          2.80    (#    571:10  Unique         2.02, 3.74 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   91 VAL  MGY          91 VAL  HN          3.50    (#    572:10  Unique         2.02, 3.74 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   12 ASP  HA           13 LEU  HN          2.80    (#    573:10  Unique         2.33, 2.44 A)
 &rst
  ixpk= 573, nxpk= 10, iat= 164, 174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   13 LEU  HB-          13 LEU  HN          3.50    (#    574:10  Unique         2.32, 3.17 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 178, 179,
 &end
#
#   12 ASP  HB-          13 LEU  HN          5.50    (#    575:10  Unique         3.09, 3.67 A)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 166, 167,
 &end
#
#   27 TYR  HA           28 ILE  HN          3.50    (#    576:10  Unique         2.19, 2.21 A)
 &rst
  ixpk= 576, nxpk= 10, iat= 424, 443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 LEU  HG           13 LEU  HN          4.50    (#    579:10  Unique         2.12, 3.49 A)
 &rst
  ixpk= 579, nxpk= 10, iat= 181, 174, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 ILE  HN           13 LEU  HN          5.50    (#    580:10  Unique         4.22, 4.41 A)
 &rst
  ixpk= 580, nxpk= 10, iat= 193, 174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   76 VAL  MGY          13 LEU  HN          3.50    (#    582:10  Unique         3.13, 5.54 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  10-2:583     13 LEU  HN          7.00    (#    583:10  Single Ambig)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
 igr1= 112, 113,1316,1317, 197,1313,1314,
 &end
#
#   13 LEU  MDY          13 LEU  HN          4.50    (#    584:10  Unique         1.92, 4.74 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   33 VAL  HB           34 ILE  HN          3.50    (#    586:10  Unique         2.37, 2.57 A)
 &rst
  ixpk= 586, nxpk= 10, iat= 513, 525, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ILE  HB           34 ILE  HN          3.50    (#    587:10  Unique         2.52, 2.59 A)
 &rst
  ixpk= 587, nxpk= 10, iat= 529, 525, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 ILE  HG1-         34 ILE  HN          5.50    (#    588:10  Unique         3.36, 4.38 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 453, 454,
 &end
#
#  114 GLU  HN          115 HIS  HN          4.50    (#    590:10  Unique         2.57, 2.71 A)
 &rst
  ixpk= 590, nxpk= 10, iat=1746,1761, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 HIS  HA          115 HIS  HN          3.50    (#    592:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 592, nxpk= 10, iat=1763,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 GLU  HA          115 HIS  HN          5.50    (#    593:10  Unique         3.57, 3.60 A)
 &rst
  ixpk= 593, nxpk= 10, iat=1748,1761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  115 HIS  HB-         115 HIS  HN          3.50    (#    594:10  Unique         2.33, 2.59 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1765,1766,
 &end
#
#  114 GLU  HB-         115 HIS  HN          3.50    (#    595:10  Unique         2.55, 3.22 A)
 &rst
  ixpk= 595, nxpk= 10, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1750,1751,
 &end
#
#  114 GLU  HB+         115 HIS  HN          4.50    (#    596:10  Unique         2.55, 3.22 A)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1750,1751,
 &end
#
#    0 AMB  10-2:599      0 AMB  10-1:599    4.50    (#    599:10  Double Ambig)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 403,1155,
 igr2= 525, 174,
 &end
#
#   33 VAL  HA           34 ILE  HN          2.80    (#    600:10  Unique         2.34, 2.40 A)
 &rst
  ixpk= 600, nxpk= 10, iat= 511, 525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:601     34 ILE  HN          3.50    (#    601:10  Single Ambig)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 535, 536, 397, 398, 399,
 &end
#
#    0 AMB  10-2:602     34 ILE  HN          3.50    (#    602:10  Single Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 449, 450, 451, 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  MGY          34 ILE  HN          4.50    (#    603:10  Unique         3.06, 4.45 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   27 TYR  HA           34 ILE  HN          5.50    (#    604:10  Unique         3.82, 3.95 A)
 &rst
  ixpk= 604, nxpk= 10, iat= 424, 525, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 TYR  HE           84 TYR  HN          5.50    (#    605:10  Unique         4.52, 5.81 A)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1267,1272,
 &end
#
#  116 PHE  HN          115 HIS  HN          3.50    (#    606:10  Unique         2.61, 2.68 A)
 &rst
  ixpk= 606, nxpk= 10, iat=1778,1761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ILE  QG2         100 VAL  HN          7.00    (#    607:10  Unique         4.18, 5.10 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 531, 532, 533,
 &end
#
#   85 GLN  HN           84 TYR  HN          4.50    (#    609:10  Unique         2.01, 2.55 A)
 &rst
  ixpk= 609, nxpk= 10, iat=1278,1257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 ASP  HA           84 TYR  HN          4.50    (#    610:10  Unique         3.27, 3.65 A)
 &rst
  ixpk= 610, nxpk= 10, iat=1215,1257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 TYR  HB-          84 TYR  HN          3.50    (#    612:10  Unique         2.34, 3.15 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1261,1262,
 &end
#
#   84 TYR  HB+          84 TYR  HN          3.50    (#    613:10  Unique         2.34, 3.15 A)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1261,1262,
 &end
#
#   83 GLU  HB+          84 TYR  HN          3.50    (#    614:10  Unique         2.70, 3.78 A)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1246,1247,
 &end
#
#    0 AMB  10-2:615     74 TYR  HN          4.50    (#    615:10  Single Ambig)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1115,1083,
 &end
#
#    0 AMB  10-2:616     74 TYR  HN          5.50    (#    616:10  Single Ambig)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
       994, 995,
 &end
#
#   74 TYR  HB-          74 TYR  HN          4.50    (#    618:10  Unique         3.14, 3.58 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1098,1099,
 &end
#
#  101 GLY  HN          100 VAL  HN          4.50    (#    620:10  Unique         4.50, 4.56 A)
 &rst
  ixpk= 620, nxpk= 10, iat=1534,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 GLU  HA          100 VAL  HN          4.50    (#    622:10  Unique         4.00, 4.28 A)
 &rst
  ixpk= 622, nxpk= 10, iat=1488,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HA          100 VAL  HN          3.50    (#    623:10  Unique         2.78, 2.81 A)
 &rst
  ixpk= 623, nxpk= 10, iat=1520,1518, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 VAL  HB          100 VAL  HN          2.80    (#    624:10  Unique         2.33, 2.41 A)
 &rst
  ixpk= 624, nxpk= 10, iat=1522,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:625    100 VAL  HN          7.00    (#    625:10  Single Ambig)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1=1591,1592,1593, 871, 872,1832,1833, 407, 408,
 &end
#
#    0 AMB  10-2:626    100 VAL  HN          7.00    (#    626:10  Single Ambig)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 924, 925, 902, 903, 407, 408, 453, 454,
 &end
#
#  100 VAL  MGX         100 VAL  HN          2.80    (#    627:10  Unique         2.04, 3.89 A)
 &rst
  ixpk= 627, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  10-2:628    100 VAL  HN          3.50    (#    628:10  Single Ambig)
 &rst
  ixpk= 628, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540,
 &end
#
#    0 AMB  10-2:629    100 VAL  HN          5.50    (#    629:10  Single Ambig)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1486,1553,1554,
 &end
#
#   99 MET  HN          100 VAL  HN          2.80    (#    630:10  Unique         2.60, 2.66 A)
 &rst
  ixpk= 630, nxpk= 10, iat=1501,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 MET  HA          100 VAL  HN          3.50    (#    631:10  Unique         3.50, 3.56 A)
 &rst
  ixpk= 631, nxpk= 10, iat=1503,1518, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 LYS  HA          100 VAL  HN          4.50    (#    632:10  Unique         2.90, 3.16 A)
 &rst
  ixpk= 632, nxpk= 10, iat=1466,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 MET  HG-         100 VAL  HN          7.00    (#    633:10  Unique         4.61, 5.07 A)
 &rst
  ixpk= 633, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1508,1509,
 &end
#
#    0 AMB  10-2:634    100 VAL  HN          3.50    (#    634:10  Single Ambig)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1505,1506, 883,
 &end
#
#    0 AMB  10-2:636     84 TYR  HN          4.50    (#    636:10  Single Ambig)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1227,1196,
 &end
#
#   83 GLU  HN           84 TYR  HN          2.80    (#    637:10  Unique         2.33, 2.52 A)
 &rst
  ixpk= 637, nxpk= 10, iat=1242,1257, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 GLU  HA           84 TYR  HN          3.50    (#    638:10  Unique         3.31, 3.45 A)
 &rst
  ixpk= 638, nxpk= 10, iat=1244,1257, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:639     84 TYR  HN          4.50    (#    639:10  Single Ambig)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1249,1250,1316,1317,1313,1314,
 &end
#
#    0 AMB  10-2:640     84 TYR  HN          7.00    (#    640:10  Single Ambig)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1=1198,1199,1820,1821,1822,
 &end
#
#   74 TYR  HD           74 TYR  HN          3.50    (#    641:10  Unique         2.49, 3.71 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1102,1111,
 &end
#
#   74 TYR  HA           74 TYR  HN          3.50    (#    642:10  Unique         2.91, 2.95 A)
 &rst
  ixpk= 642, nxpk= 10, iat=1096,1094, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 CYS  HA           74 TYR  HN          2.80    (#    643:10  Unique         2.34, 2.41 A)
 &rst
  ixpk= 643, nxpk= 10, iat=1085,1094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 CYS  HB+          74 TYR  HN          2.80    (#    644:10  Unique         2.56, 3.29 A)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1087,1088,
 &end
#
#   74 TYR  HH           74 TYR  HN          7.00    (#    646:10  Unique         6.04, 6.37 A)
 &rst
  ixpk= 646, nxpk= 10, iat=1107,1094, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   84 TYR  HN           83 GLU  HN          2.80    (#    649:10  Unique         2.33, 2.52 A)
 &rst
  ixpk= 649, nxpk= 10, iat=1257,1242, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:651     83 GLU  HN          3.50    (#    651:10  Single Ambig)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1196,1227,
 &end
#
#   83 GLU  HA           83 GLU  HN          3.50    (#    652:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 652, nxpk= 10, iat=1244,1242, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 HIS  HB+          83 GLU  HN          4.50    (#    653:10  Unique         2.93, 3.68 A)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1229,1230,
 &end
#
#   83 GLU  HG+          83 GLU  HN          4.50    (#    655:10  Unique         2.18, 3.03 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1249,1250,
 &end
#
#   83 GLU  HB+          83 GLU  HN          3.50    (#    656:10  Unique         2.41, 3.07 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1246,1247,
 &end
#
#   72 CYS  HA           72 CYS  HN          3.50    (#    658:10  Unique         2.90, 2.97 A)
 &rst
  ixpk= 658, nxpk= 10, iat=1074,1072, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 GLY  HA+          72 CYS  HN          3.50    (#    659:10  Unique         2.94, 3.35 A)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1067,1068,
 &end
#
#   69 VAL  MGY          72 CYS  HN          4.50    (#    660:10  Unique         4.63, 5.81 A)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   72 CYS  HB-          72 CYS  HN          3.50    (#    663:10  Unique         2.41, 3.18 A)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1076,1077,
 &end
#
#   72 CYS  HB+          72 CYS  HN          2.80    (#    664:10  Unique         2.41, 3.18 A)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1076,1077,
 &end
#
#   16 ILE  QG2          72 CYS  HN          5.50    (#    665:10  Unique         4.94, 5.39 A)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  10-2:666     72 CYS  HN          5.50    (#    666:10  Single Ambig)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  10-2:668     83 GLU  HN          5.50    (#    668:10  Single Ambig)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#   67 ASP  HA           67 ASP  HN          3.50    (#    671:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 671, nxpk= 10, iat=1016,1014, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HN           67 ASP  HN          3.50    (#    672:10  Unique         2.59, 2.77 A)
 &rst
  ixpk= 672, nxpk= 10, iat= 999,1014, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HN           67 ASP  HN          2.80    (#    673:10  Unique         2.35, 2.40 A)
 &rst
  ixpk= 673, nxpk= 10, iat=1026,1014, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 VAL  HA           67 ASP  HN          5.50    (#    675:10  Unique         5.03, 5.08 A)
 &rst
  ixpk= 675, nxpk= 10, iat=1028,1014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:676     67 ASP  HN          2.80    (#    676:10  Single Ambig)
 &rst
  ixpk= 676, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1018,1019,1018,1019,
 &end
#
#   66 GLU  HG+          67 ASP  HN          3.50    (#    677:10  Unique         2.45, 3.13 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1006,1007,
 &end
#
#   66 GLU  HB-          67 ASP  HN          4.50    (#    678:10  Unique         3.91, 4.26 A)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1003,1004,
 &end
#
#    0 AMB  10-2:679     67 ASP  HN          2.80    (#    679:10  Single Ambig)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 960, 961, 960, 961,
 &end
#
#    0 AMB  10-2:680     67 ASP  HN          5.50    (#    680:10  Single Ambig)
 &rst
  ixpk= 680, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1030, 945, 946,
 &end
#
#    0 AMB  10-2:681     67 ASP  HN          3.50    (#    681:10  Single Ambig)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  10-2:688    124 LYS  HN          5.50    (#    688:10  Single Ambig)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1874,1875,1892,1893,
 &end
#
#  123 GLY  HN          124 LYS  HN          4.50    (#    689:10  Unique         2.87, 3.08 A)
 &rst
  ixpk= 689, nxpk= 10, iat=1909,1916, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 LYS  HA          124 LYS  HN          3.50    (#    691:10  Unique         2.88, 2.95 A)
 &rst
  ixpk= 691, nxpk= 10, iat=1918,1916, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 GLY  HA-         124 LYS  HN          3.50    (#    692:10  Unique         2.51, 3.21 A)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1911,1912,
 &end
#
#  123 GLY  HA+         124 LYS  HN          3.50    (#    693:10  Unique         2.51, 3.21 A)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1911,1912,
 &end
#
#  124 LYS  HG-         124 LYS  HN          4.50    (#    694:10  Unique         3.38, 4.68 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1923,1924,
 &end
#
#    0 AMB  10-2:695    124 LYS  HN          4.50    (#    695:10  Single Ambig)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1866,1334,1335,
 &end
#
#    0 AMB  10-2:696    124 LYS  HN          7.00    (#    696:10  Single Ambig)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1874,1875,1319,1320,1892,1893,
 &end
#
#    0 AMB  10-2:697    124 LYS  HN          4.50    (#    697:10  Single Ambig)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1920,1921,1404,1405,
 &end
#
#  124 LYS  HB+         124 LYS  HN          3.50    (#    700:10  Unique         2.63, 3.11 A)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1920,1921,
 &end
#
#  119 GLN  HN          120 LEU  HN          3.50    (#    706:10  Unique         2.62, 2.73 A)
 &rst
  ixpk= 706, nxpk= 10, iat=1828,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:708    120 LEU  HN          2.80    (#    708:10  Single Ambig)
 &rst
  ixpk= 708, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1800,1847,1830,
 &end
#
#  119 GLN  HG-         120 LEU  HN          7.00    (#    709:10  Unique         2.76, 4.64 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1835,1836,
 &end
#
#  119 GLN  HB-         120 LEU  HN          4.50    (#    710:10  Unique         2.78, 3.46 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1832,1833,
 &end
#
#  120 LEU  HB-         120 LEU  HN          2.80    (#    711:10  Unique         2.26, 3.01 A)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1849,1850,
 &end
#
#  120 LEU  HG          120 LEU  HN          4.50    (#    712:10  Unique         2.27, 2.51 A)
 &rst
  ixpk= 712, nxpk= 10, iat=1852,1845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:713    120 LEU  HN          4.50    (#    713:10  Single Ambig)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1=1868,1869,1804,1805,1806,1808,1809,1810,1820,1821,
      1822,
 &end
#
#  120 LEU  MDX         120 LEU  HN          3.50    (#    714:10  Unique         3.63, 4.48 A)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  MDY         120 LEU  HN          3.50    (#    715:10  Unique         3.63, 4.48 A)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  121 ARG  HN          120 LEU  HN          3.50    (#    716:10  Unique         2.69, 2.79 A)
 &rst
  ixpk= 716, nxpk= 10, iat=1864,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 TYR  HA          120 LEU  HN          7.00    (#    717:10  Unique         6.48, 6.68 A)
 &rst
  ixpk= 717, nxpk= 10, iat=1890,1845, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  119 GLN  HB+         120 LEU  HN          4.50    (#    718:10  Unique         2.78, 3.46 A)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1832,1833,
 &end
#
#  120 LEU  HB+         120 LEU  HN          3.50    (#    719:10  Unique         2.26, 3.01 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1849,1850,
 &end
#
#   77 ASN  HD2-         79 SER  HN          7.00    (#    720:10  Unique         2.45, 3.76 A)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1,1183, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1164,1165,
 &end
#
#    0 AMB  10-2:722      0 AMB  10-1:722    5.50    (#    722:10  Double Ambig)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 183, 184, 185, 187, 188, 189,1423,1424,
 igr2=1183,1443,
 &end
#
#   78 ASN  HN           79 SER  HN          4.50    (#    723:10  Unique         2.10, 2.70 A)
 &rst
  ixpk= 723, nxpk= 10, iat=1169,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ASN  HA           79 SER  HN          3.50    (#    724:10  Unique         2.94, 3.34 A)
 &rst
  ixpk= 724, nxpk= 10, iat=1171,1183, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ASN  HA           79 SER  HN          4.50    (#    725:10  Unique         2.81, 3.32 A)
 &rst
  ixpk= 725, nxpk= 10, iat=1157,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 SER  HA           79 SER  HN          2.80    (#    726:10  Unique         2.58, 2.70 A)
 &rst
  ixpk= 726, nxpk= 10, iat=1185,1183, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   79 SER  HB-          79 SER  HN          2.80    (#    727:10  Unique         2.59, 3.11 A)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1,1183, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1187,1188,
 &end
#
#    0 AMB  10-2:729    120 LEU  HN          5.50    (#    729:10  Single Ambig)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418, 885,
       886, 887, 889, 890, 891,
 &end
#
#    0 AMB  10-2:730     95 SER  HN          7.00    (#    730:10  Single Ambig)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1490,1491,1382,
 &end
#
#   80 LEU  HN           79 SER  HN          3.50    (#    731:10  Unique         2.76, 3.07 A)
 &rst
  ixpk= 731, nxpk= 10, iat=1194,1183, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:732     79 SER  HN          5.50    (#    732:10  Single Ambig)
 &rst
  ixpk= 732, nxpk= 10, iat=  -1,1183, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1173,1174,1159,1160,
 &end
#
#   94 SER  HN           95 SER  HN          2.80    (#    734:10  Unique         2.73, 2.78 A)
 &rst
  ixpk= 734, nxpk= 10, iat=1432,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 SER  HA           95 SER  HN          2.80    (#    735:10  Unique         2.81, 2.82 A)
 &rst
  ixpk= 735, nxpk= 10, iat=1445,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 SER  HB+          95 SER  HN          2.80    (#    736:10  Unique         2.51, 3.06 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1447,1448,
 &end
#
#   95 SER  HB-          95 SER  HN          2.80    (#    737:10  Unique         2.51, 3.06 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1447,1448,
 &end
#
#    0 AMB  10-2:738     95 SER  HN          5.50    (#    738:10  Single Ambig)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1417,1398,1468,1469,
 &end
#
#    0 AMB  10-2:739     95 SER  HN          4.50    (#    739:10  Single Ambig)
 &rst
  ixpk= 739, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1384,1385,1386,1388,1389,1390,1407,1408,1409,1419,
      1420,1421,
 &end
#
#    0 AMB  10-2:741     95 SER  HN          4.50    (#    741:10  Single Ambig)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1458,1459,1460,1852,
 &end
#
#    0 AMB  10-2:742     95 SER  HN          5.50    (#    742:10  Single Ambig)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 &end
#
#    0 AMB  10-2:743     95 SER  HN          4.50    (#    743:10  Single Ambig)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1413,1464,
 &end
#
#  119 GLN  HN          118 THR  HN          3.50    (#    745:10  Unique         2.57, 2.68 A)
 &rst
  ixpk= 745, nxpk= 10, iat=1828,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 VAL  HN          118 THR  HN          3.50    (#    746:10  Unique         2.70, 2.78 A)
 &rst
  ixpk= 746, nxpk= 10, iat=1798,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 THR  HB          118 THR  HN          3.50    (#    748:10  Unique         2.39, 3.09 A)
 &rst
  ixpk= 748, nxpk= 10, iat=1818,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:749    118 THR  HN          5.50    (#    749:10  Single Ambig)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1814, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1830,1866,
 &end
#
#  117 VAL  MGY         118 THR  HN          3.50    (#    750:10  Unique         2.62, 4.43 A)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1,1814, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  10-2:751    118 THR  HN          3.50    (#    751:10  Single Ambig)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1,1814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1820,1821,1822,1804,1805,1806,1808,1809,1810,
 &end
#
#  118 THR  HA          118 THR  HN          4.50    (#    753:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 753, nxpk= 10, iat=1816,1814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HN           90 GLU  HN          5.50    (#    754:10  Unique         4.08, 4.18 A)
 &rst
  ixpk= 754, nxpk= 10, iat=1394,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 CYS  HA          116 PHE  HN          5.50    (#    756:10  Unique         3.16, 3.68 A)
 &rst
  ixpk= 756, nxpk= 10, iat=1737,1778, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:757    116 PHE  HN          3.50    (#    757:10  Single Ambig)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1780,1763,
 &end
#
#  116 PHE  HB-         116 PHE  HN          2.80    (#    758:10  Unique         2.13, 2.48 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1782,1783,
 &end
#
#  120 LEU  HB+         121 ARG  HN          3.50    (#    759:10  Unique         2.36, 2.96 A)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1849,1850,
 &end
#
#    0 AMB  10-2:760    121 ARG  HN          4.50    (#    760:10  Single Ambig)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 &end
#
#    0 AMB  10-2:761    121 ARG  HN          3.50    (#    761:10  Single Ambig)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1888,1877,
 &end
#
#  120 LEU  HN          121 ARG  HN          3.50    (#    762:10  Unique         2.69, 2.79 A)
 &rst
  ixpk= 762, nxpk= 10, iat=1845,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 ARG  HA          121 ARG  HN          3.50    (#    763:10  Unique         2.84, 2.88 A)
 &rst
  ixpk= 763, nxpk= 10, iat=1866,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LEU  HB-         121 ARG  HN          3.50    (#    764:10  Unique         2.36, 2.96 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1849,1850,
 &end
#
#  121 ARG  HB-         121 ARG  HN          3.50    (#    765:10  Unique         2.14, 3.14 A)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1868,1869,
 &end
#
#    0 AMB  10-2:766    121 ARG  HN          7.00    (#    766:10  Single Ambig)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 &end
#
#   91 VAL  HN           90 GLU  HN          3.50    (#    769:10  Unique         2.57, 2.68 A)
 &rst
  ixpk= 769, nxpk= 10, iat=1378,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 PRO  HA           90 GLU  HN          5.50    (#    771:10  Unique         4.01, 4.26 A)
 &rst
  ixpk= 771, nxpk= 10, iat=1343,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 GLU  HG+          90 GLU  HN          3.50    (#    772:10  Unique         2.04, 2.79 A)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1370,1371,
 &end
#
#    0 AMB  10-2:773     90 GLU  HN          4.50    (#    773:10  Single Ambig)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1382,1337,1338,
 &end
#
#   88 PRO  HB+          90 GLU  HN          4.50    (#    774:10  Unique         3.78, 4.72 A)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1340,1341,
 &end
#
#   89 VAL  MGX          90 GLU  HN          3.50    (#    775:10  Unique         2.16, 4.27 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   89 VAL  HN           90 GLU  HN          3.50    (#    776:10  Unique         2.96, 3.16 A)
 &rst
  ixpk= 776, nxpk= 10, iat=1347,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 GLU  HA           90 GLU  HN          3.50    (#    777:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 777, nxpk= 10, iat=1365,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 VAL  HA           90 GLU  HN          5.50    (#    778:10  Unique         3.60, 3.62 A)
 &rst
  ixpk= 778, nxpk= 10, iat=1349,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:779     90 GLU  HN          2.80    (#    779:10  Single Ambig)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1367,1368,1351,
 &end
#
#   93 ILE  HB           90 GLU  HN          5.50    (#    780:10  Unique         4.86, 5.11 A)
 &rst
  ixpk= 780, nxpk= 10, iat=1417,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   89 VAL  MGY          90 GLU  HN          4.50    (#    781:10  Unique         2.16, 4.27 A)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#  116 PHE  HD          116 PHE  HN          7.00    (#    782:10  Unique         4.13, 4.65 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1786,1794,
 &end
#
#  118 THR  HA          121 ARG  HN          5.50    (#    784:10  Unique         2.91, 3.26 A)
 &rst
  ixpk= 784, nxpk= 10, iat=1816,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 ARG  HB+         121 ARG  HN          2.80    (#    785:10  Unique         2.14, 3.14 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1868,1869,
 &end
#
#    0 AMB  10-2:786    121 ARG  HN          4.50    (#    786:10  Single Ambig)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1407,1408,1409, 183, 184, 185, 187, 188, 189,
 &end
#
#   96 ALA  HN           98 GLU  HN          5.50    (#    789:10  Unique         4.12, 4.17 A)
 &rst
  ixpk= 789, nxpk= 10, iat=1454,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  HN           98 GLU  HN          5.50    (#    791:10  Unique         3.90, 4.14 A)
 &rst
  ixpk= 791, nxpk= 10, iat=1518,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 MET  HA           98 GLU  HN          5.50    (#    792:10  Unique         5.06, 5.27 A)
 &rst
  ixpk= 792, nxpk= 10, iat=1503,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:793     98 GLU  HN          3.50    (#    793:10  Single Ambig)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1466,1447,1448,
 &end
#
#   98 GLU  HG-          98 GLU  HN          2.80    (#    794:10  Unique         2.49, 3.14 A)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1493,1494,
 &end
#
#   96 ALA  MB           98 GLU  HN          5.50    (#    795:10  Unique         4.88, 5.51 A)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1458,1459,1460,
 &end
#
#  100 VAL  MGX          98 GLU  HN          7.00    (#    797:10  Unique         4.77, 7.10 A)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   88 PRO  HB-          90 GLU  HN          5.50    (#    798:10  Unique         3.78, 4.72 A)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1340,1341,
 &end
#
#   66 GLU  HA           69 VAL  HN          4.50    (#    800:10  Unique         3.33, 3.46 A)
 &rst
  ixpk= 800, nxpk= 10, iat=1001,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 PHE  HB+         116 PHE  HN          2.80    (#    802:10  Unique         2.13, 2.48 A)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1782,1783,
 &end
#
#   99 MET  HN           98 GLU  HN          2.80    (#    803:10  Unique         2.36, 2.62 A)
 &rst
  ixpk= 803, nxpk= 10, iat=1501,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 GLU  HA           98 GLU  HN          2.80    (#    804:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 804, nxpk= 10, iat=1488,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 MET  HG-          98 GLU  HN          7.00    (#    805:10  Unique         4.35, 5.55 A)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1508,1509,
 &end
#
#    0 AMB  10-2:806     98 GLU  HN          7.00    (#    806:10  Single Ambig)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1508,1509,1477,1478,
 &end
#
#   98 GLU  HB-          98 GLU  HN          2.80    (#    807:10  Unique         2.25, 2.94 A)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1490,1491,
 &end
#
#   97 LYS  HB-          98 GLU  HN          3.50    (#    808:10  Unique         2.85, 3.39 A)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1468,1469,
 &end
#
#   97 LYS  HG+          98 GLU  HN          5.50    (#    809:10  Unique         4.47, 5.00 A)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1471,1472,
 &end
#
#   97 LYS  HN           98 GLU  HN          3.50    (#    810:10  Unique         2.72, 2.77 A)
 &rst
  ixpk= 810, nxpk= 10, iat=1464,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:811     69 VAL  HN          2.80    (#    811:10  Single Ambig)
 &rst
  ixpk= 811, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1026,
 &end
#
#    0 AMB  10-2:812     69 VAL  HN          5.50    (#    812:10  Single Ambig)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1014,1102,1111,
 &end
#
#   68 VAL  HA           69 VAL  HN          4.50    (#    813:10  Unique         3.60, 3.64 A)
 &rst
  ixpk= 813, nxpk= 10, iat=1028,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:814     69 VAL  HN          3.50    (#    814:10  Single Ambig)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1044, 982,
 &end
#
#   69 VAL  HB           69 VAL  HN          3.50    (#    815:10  Unique         2.29, 2.58 A)
 &rst
  ixpk= 815, nxpk= 10, iat=1046,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HB           69 VAL  HN          3.50    (#    816:10  Unique         2.27, 2.44 A)
 &rst
  ixpk= 816, nxpk= 10, iat=1030,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 VAL  MGY          69 VAL  HN          2.80    (#    817:10  Unique         2.13, 3.64 A)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  10-2:818     69 VAL  HN          2.80    (#    818:10  Single Ambig)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  10-2:820    116 PHE  HN          4.50    (#    820:10  Single Ambig)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1735,1730,1731,
 &end
#
#  112 ASN  HA          116 PHE  HN          5.50    (#    821:10  Unique         3.74, 4.18 A)
 &rst
  ixpk= 821, nxpk= 10, iat=1723,1778, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:823    116 PHE  HN          5.50    (#    823:10  Single Ambig)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1835,1836,1802,
 &end
#
#  113 CYS  HA          116 PHE  HN          7.00    (#    826:10  Unique         3.16, 3.68 A)
 &rst
  ixpk= 826, nxpk= 10, iat=1737,1778, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  102 GLN  HN          101 GLY  HN          3.50    (#    827:10  Unique         2.52, 2.66 A)
 &rst
  ixpk= 827, nxpk= 10, iat=1541,1534, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLY  HA-         101 GLY  HN          3.50    (#    828:10  Unique         2.31, 2.66 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1536,1537,
 &end
#
#  101 GLY  HA+         101 GLY  HN          2.80    (#    829:10  Unique         2.31, 2.66 A)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1536,1537,
 &end
#
#    0 AMB  10-2:830    101 GLY  HN          4.50    (#    830:10  Single Ambig)
 &rst
  ixpk= 830, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1522,1545,1546,
 &end
#
#  100 VAL  MGY         101 GLY  HN          2.80    (#    831:10  Unique         2.62, 4.12 A)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   60 VAL  MGY         101 GLY  HN          5.50    (#    832:10  Unique         3.77, 4.98 A)
 &rst
  ixpk= 832, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#  100 VAL  HA          101 GLY  HN          3.50    (#    833:10  Unique         2.07, 2.10 A)
 &rst
  ixpk= 833, nxpk= 10, iat=1520,1534, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  HB          101 GLY  HN          4.50    (#    834:10  Unique         2.67, 2.81 A)
 &rst
  ixpk= 834, nxpk= 10, iat= 883,1534, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 VAL  MGX         101 GLY  HN          3.50    (#    835:10  Unique         3.77, 4.98 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   51 PHE  HA           52 SER  HN          3.50    (#    837:10  Unique         2.16, 2.86 A)
 &rst
  ixpk= 837, nxpk= 10, iat= 754, 772, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLU  HG+         101 GLY  HN          5.50    (#    838:10  Unique         3.21, 3.85 A)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 871, 872,
 &end
#
#   60 VAL  HN          101 GLY  HN          7.00    (#    839:10  Unique         3.42, 3.58 A)
 &rst
  ixpk= 839, nxpk= 10, iat= 879,1534, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:840    101 GLY  HN          7.00    (#    840:10  Single Ambig)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1518,1788,1792,
 &end
#
#   98 GLU  HN           97 LYS  HN          3.50    (#    843:10  Unique         2.72, 2.77 A)
 &rst
  ixpk= 843, nxpk= 10, iat=1486,1464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 LYS  HA           97 LYS  HN          3.50    (#    844:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 844, nxpk= 10, iat=1466,1464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 LYS  HB-          97 LYS  HN          2.80    (#    846:10  Unique         2.25, 2.95 A)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1468,1469,
 &end
#
#   97 LYS  HG+          97 LYS  HN          3.50    (#    847:10  Unique         2.16, 3.17 A)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1471,1472,
 &end
#
#   96 ALA  MB           97 LYS  HN          2.80    (#    848:10  Unique         2.39, 3.33 A)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1458,1459,1460,
 &end
#
#   97 LYS  HG-          97 LYS  HN          3.50    (#    849:10  Unique         2.16, 3.17 A)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1471,1472,
 &end
#
#    0 AMB  10-2:850     97 LYS  HN          5.50    (#    850:10  Single Ambig)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1419,1420,1421, 531, 532, 533,
 &end
#
#    0 AMB  10-2:851     97 LYS  HN          3.50    (#    851:10  Single Ambig)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 538, 539, 540, 449, 450, 451,
 &end
#
#   96 ALA  HN           97 LYS  HN          3.50    (#    856:10  Unique         2.75, 2.85 A)
 &rst
  ixpk= 856, nxpk= 10, iat=1454,1464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 SER  HA           97 LYS  HN          3.50    (#    857:10  Unique         3.20, 3.45 A)
 &rst
  ixpk= 857, nxpk= 10, iat=1434,1464, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 GLU  HB-          97 LYS  HN          5.50    (#    858:10  Unique         4.69, 5.54 A)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1490,1491,
 &end
#
#  100 VAL  MGX          97 LYS  HN          7.00    (#    859:10  Unique         4.55, 6.74 A)
 &rst
  ixpk= 859, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   20 GLY  HN           21 TYR  HN          3.50    (#    862:10  Unique         1.80, 2.42 A)
 &rst
  ixpk= 862, nxpk= 10, iat= 309, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 LEU  HN           21 TYR  HN          5.50    (#    863:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 863, nxpk= 10, iat= 290, 316, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 HIS  HD2          21 TYR  HN          7.00    (#    865:10  Unique         6.56, 8.42 A)
 &rst
  ixpk= 865, nxpk= 10, iat= 365, 316, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   21 TYR  HA           21 TYR  HN          3.50    (#    866:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 866, nxpk= 10, iat= 318, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:868     21 TYR  HN          3.50    (#    868:10  Single Ambig)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 311, 312, 675,
 &end
#
#   21 TYR  HB-          21 TYR  HN          4.50    (#    869:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 869, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 320, 321,
 &end
#
#   21 TYR  HB+          21 TYR  HN          4.50    (#    870:10  Unique         2.10, 3.16 A)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 320, 321,
 &end
#
#    0 AMB  10-2:871     21 TYR  HN          5.50    (#    871:10  Single Ambig)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 270, 271, 341, 342,
 &end
#
#   18 ARG  HB+          21 TYR  HN          5.50    (#    872:10  Unique         2.96, 4.20 A)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 270, 271,
 &end
#
#   20 GLY  HA+          21 TYR  HN          3.50    (#    873:10  Unique         2.59, 3.22 A)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 311, 312,
 &end
#
#    0 AMB  10-2:874     75 ARG  HN          7.00    (#    874:10  Single Ambig)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1139, 246, 227,
 &end
#
#    0 AMB  10-2:875     20 GLY  HN          3.50    (#    875:10  Single Ambig)
 &rst
  ixpk= 875, nxpk= 10, iat=  -1, 309, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 292, 675,
 &end
#
#   19 LEU  HB+          20 GLY  HN          4.50    (#    876:10  Unique         2.01, 4.17 A)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1, 309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 294, 295,
 &end
#
#   21 TYR  HN           20 GLY  HN          4.50    (#    877:10  Unique         1.80, 2.42 A)
 &rst
  ixpk= 877, nxpk= 10, iat= 316, 309, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HA+          20 GLY  HN          3.50    (#    879:10  Unique         2.29, 2.73 A)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1, 309, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 311, 312,
 &end
#
#    0 AMB  10-2:880     20 GLY  HN          4.50    (#    880:10  Single Ambig)
 &rst
  ixpk= 880, nxpk= 10, iat=  -1, 309, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 &end
#
#   15 GLU  HN           75 ARG  HN          5.50    (#    881:10  Unique         2.61, 2.83 A)
 &rst
  ixpk= 881, nxpk= 10, iat= 212,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 TYR  HD           75 ARG  HN          3.50    (#    882:10  Unique         3.19, 4.53 A)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1102,1111,
 &end
#
#   74 TYR  HA           75 ARG  HN          3.50    (#    883:10  Unique         2.23, 2.32 A)
 &rst
  ixpk= 883, nxpk= 10, iat=1096,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 ILE  HA           75 ARG  HN          5.50    (#    885:10  Unique         3.45, 3.71 A)
 &rst
  ixpk= 885, nxpk= 10, iat= 229,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:886     75 ARG  HN          3.50    (#    886:10  Single Ambig)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1098,1099,1098,1099,
 &end
#
#   75 ARG  HB-          75 ARG  HN          4.50    (#    887:10  Unique         2.65, 3.33 A)
 &rst
  ixpk= 887, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1119,1120,
 &end
#
#   75 ARG  HG+          75 ARG  HN          5.50    (#    888:10  Unique         2.43, 4.21 A)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1122,1123,
 &end
#
#    0 AMB  10-2:889     75 ARG  HN          4.50    (#    889:10  Single Ambig)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1122,1123, 216, 217, 237, 238,
 &end
#
#   14 ILE  QG2          75 ARG  HN          3.50    (#    890:10  Unique         2.24, 3.28 A)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 199, 200, 201,
 &end
#
#   65 LEU  HA           66 GLU  HN          5.50    (#    892:10  Unique         3.58, 3.61 A)
 &rst
  ixpk= 892, nxpk= 10, iat= 982, 999, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 LEU  HN           66 GLU  HN          3.50    (#    893:10  Unique         2.67, 2.77 A)
 &rst
  ixpk= 893, nxpk= 10, iat= 980, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:894     66 GLU  HN          4.50    (#    894:10  Single Ambig)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
       994, 995,
 &end
#
#    0 AMB  10-2:895     66 GLU  HN          4.50    (#    895:10  Single Ambig)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038, 515, 516,
       517, 519, 520, 521,
 &end
#
#   67 ASP  HN           66 GLU  HN          3.50    (#    897:10  Unique         2.59, 2.77 A)
 &rst
  ixpk= 897, nxpk= 10, iat=1014, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HA           66 GLU  HN          3.50    (#    899:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 899, nxpk= 10, iat=1001, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HG+          66 GLU  HN          3.50    (#    900:10  Unique         1.95, 2.79 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1006,1007,
 &end
#
#   66 GLU  HB-          66 GLU  HN          2.80    (#    901:10  Unique         2.43, 3.08 A)
 &rst
  ixpk= 901, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1003,1004,
 &end
#
#    0 AMB  10-2:902     66 GLU  HN          2.80    (#    902:10  Single Ambig)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 984, 985, 960, 961,
 &end
#
#    0 AMB  10-2:903     66 GLU  HN          3.50    (#    903:10  Single Ambig)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 984, 985, 987,
 &end
#
#   92 ILE  HG1-         93 ILE  HN          7.00    (#    904:10  Unique         3.83, 4.65 A)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1404,1405,
 &end
#
#   90 GLU  HB-          94 SER  HN          7.00    (#    905:10  Unique         4.69, 5.25 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1367,1368,
 &end
#
#   93 ILE  HN           94 SER  HN          3.50    (#    906:10  Unique         2.64, 2.76 A)
 &rst
  ixpk= 906, nxpk= 10, iat=1413,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 SER  HN           94 SER  HN          2.80    (#    907:10  Unique         2.73, 2.78 A)
 &rst
  ixpk= 907, nxpk= 10, iat=1443,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 SER  HA           94 SER  HN          2.80    (#    909:10  Unique         2.81, 2.83 A)
 &rst
  ixpk= 909, nxpk= 10, iat=1434,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:910     94 SER  HN          4.50    (#    910:10  Single Ambig)
 &rst
  ixpk= 910, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1365,1447,1448,
 &end
#
#   91 VAL  HA           94 SER  HN          3.50    (#    911:10  Unique         3.27, 3.50 A)
 &rst
  ixpk= 911, nxpk= 10, iat=1380,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HA           94 SER  HN          4.50    (#    912:10  Unique         3.56, 3.60 A)
 &rst
  ixpk= 912, nxpk= 10, iat=1415,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HB           94 SER  HN          2.80    (#    913:10  Unique         2.39, 2.62 A)
 &rst
  ixpk= 913, nxpk= 10, iat=1417,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:914     94 SER  HN          4.50    (#    914:10  Single Ambig)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1423,1424,1474,1475,
 &end
#
#   93 ILE  QG2          94 SER  HN          3.50    (#    915:10  Unique         3.07, 4.17 A)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1419,1420,1421,
 &end
#
#    0 AMB  10-2:916     94 SER  HN          4.50    (#    916:10  Single Ambig)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1426,1427,1428, 449, 450, 451, 538, 539, 540,
 &end
#
#   90 GLU  HA           93 ILE  HN          3.50    (#    917:10  Unique         3.22, 3.34 A)
 &rst
  ixpk= 917, nxpk= 10, iat=1365,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:918     93 ILE  HN          4.50    (#    918:10  Single Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1396, 157, 158,
 &end
#
#    0 AMB  10-2:919     93 ILE  HN          2.80    (#    919:10  Single Ambig)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1417,1398,
 &end
#
#   93 ILE  HG1-         93 ILE  HN          3.50    (#    920:10  Unique         2.10, 2.94 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1424,
 &end
#
#   93 ILE  QD1          93 ILE  HN          3.50    (#    921:10  Unique         3.09, 4.34 A)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1426,1427,1428,
 &end
#
#   94 SER  HN           93 ILE  HN          3.50    (#    922:10  Unique         2.64, 2.76 A)
 &rst
  ixpk= 922, nxpk= 10, iat=1432,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HA           93 ILE  HN          3.50    (#    923:10  Unique         2.82, 2.85 A)
 &rst
  ixpk= 923, nxpk= 10, iat=1415,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HG1+         93 ILE  HN          3.50    (#    924:10  Unique         2.10, 2.94 A)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1424,
 &end
#
#    0 AMB  10-2:925     93 ILE  HN          3.50    (#    925:10  Single Ambig)
 &rst
  ixpk= 925, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1353,1354,1355,1357,1358,1359,1419,1420,1421,1407,
      1408,1409,
 &end
#
#    0 AMB  10-2:926     94 SER  HN          5.50    (#    926:10  Single Ambig)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1423,1424, 412, 413, 414, 416, 417, 418,
 &end
#
#   92 ILE  HN           93 ILE  HN          7.00    (#    927:10  Unique         2.44, 2.56 A)
 &rst
  ixpk= 927, nxpk= 10, iat=1394,1413, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  107 SER  HB-         107 SER  HN          3.50    (#    945:10  Unique         2.60, 3.23 A)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#    0 AMB  10-2:948     99 MET  HN          4.50    (#    948:10  Single Ambig)
 &rst
  ixpk= 948, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1493,1494,1548,1549,
 &end
#
#   98 GLU  HN           99 MET  HN          2.80    (#    956:10  Unique         2.36, 2.62 A)
 &rst
  ixpk= 956, nxpk= 10, iat=1486,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 VAL  HN           99 MET  HN          2.80    (#    957:10  Unique         2.60, 2.66 A)
 &rst
  ixpk= 957, nxpk= 10, iat=1518,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 MET  HA           99 MET  HN          3.50    (#    958:10  Unique         2.88, 2.90 A)
 &rst
  ixpk= 958, nxpk= 10, iat=1503,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 GLU  HA           99 MET  HN          3.50    (#    959:10  Unique         3.53, 3.55 A)
 &rst
  ixpk= 959, nxpk= 10, iat=1488,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 ALA  HA           99 MET  HN          3.50    (#    960:10  Unique         3.40, 3.51 A)
 &rst
  ixpk= 960, nxpk= 10, iat=1456,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 MET  HG-          99 MET  HN          3.50    (#    961:10  Unique         2.48, 3.30 A)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1508,1509,
 &end
#
#   99 MET  HG+          99 MET  HN          3.50    (#    962:10  Unique         2.48, 3.30 A)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1508,1509,
 &end
#
#   99 MET  HB-          99 MET  HN          2.80    (#    963:10  Unique         2.24, 2.93 A)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#   98 GLU  HB-          99 MET  HN          2.80    (#    964:10  Unique         2.81, 3.27 A)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1490,1491,
 &end
#
#  100 VAL  MGX          99 MET  HN          4.50    (#    965:10  Unique         3.96, 6.27 A)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  10-2:966     99 MET  HN          4.50    (#    966:10  Single Ambig)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540,
 &end
#
#    0 AMB  10-2:973     11 GLY  HN          4.50    (#    973:10  Single Ambig)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 145, 146,1398,
 &end
#
#   10 PRO  HB-          11 GLY  HN          4.50    (#    974:10  Unique         3.48, 4.03 A)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 148, 149,
 &end
#
#   12 ASP  HN           11 GLY  HN          3.50    (#    975:10  Unique         2.73, 2.81 A)
 &rst
  ixpk= 975, nxpk= 10, iat= 162, 155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 TYR  HD           11 GLY  HN          5.50    (#    976:10  Unique         2.34, 4.45 A)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 430, 439,
 &end
#
#   28 ILE  HA           11 GLY  HN          4.50    (#    977:10  Unique         3.16, 3.45 A)
 &rst
  ixpk= 977, nxpk= 10, iat= 445, 155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLY  HA+          11 GLY  HN          3.50    (#    978:10  Unique         2.23, 2.56 A)
 &rst
  ixpk= 978, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 157, 158,
 &end
#
#   10 PRO  HA           11 GLY  HN          2.80    (#    979:10  Unique         2.09, 2.17 A)
 &rst
  ixpk= 979, nxpk= 10, iat= 151, 155, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   11 GLY  HA-          11 GLY  HN          3.50    (#    980:10  Unique         2.23, 2.56 A)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 157, 158,
 &end
#
#   89 VAL  MGY          11 GLY  HN          4.50    (#    981:10  Unique         3.43, 5.46 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   93 ILE  QD1          11 GLY  HN          3.50    (#    982:10  Unique         2.19, 3.40 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1426,1427,1428,
 &end
#
#   78 ASN  HD2-         85 GLN  HE2-        7.00    (#    985:10  Unique         5.60,10.03 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1178,1179,
 igr2=1290,1291,
 &end
#
#   84 TYR  HE           85 GLN  HE2-        5.50    (#    989:10  Unique         5.29, 7.99 A)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1267,1272,
 igr2=1290,1291,
 &end
#
#   85 GLN  HA           85 GLN  HE2-        7.00    (#    990:10  Unique         3.59, 4.77 A)
 &rst
  ixpk= 990, nxpk= 10, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1290,1291,
 &end
#
#   85 GLN  HG+          85 GLN  HE2-        4.50    (#    992:10  Unique         2.38, 3.56 A)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1285,1286,
 igr2=1290,1291,
 &end
#
#   84 TYR  HB+          85 GLN  HE2-        5.50    (#    993:10  Unique         2.27, 4.10 A)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1261,1262,
 igr2=1290,1291,
 &end
#
#   83 GLU  HN           85 GLN  HE2-        7.00    (#    995:10  Unique         4.88, 7.08 A)
 &rst
  ixpk= 995, nxpk= 10, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1290,1291,
 &end
#
#   85 GLN  HA           85 GLN  HE2+        5.50    (#    999:10  Unique         3.59, 4.77 A)
 &rst
  ixpk= 999, nxpk= 10, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1290,1291,
 &end
#
#  122 TYR  HA           85 GLN  HE2+        7.00    (#   1000:10  Unique         4.28, 6.93 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1290,1291,
 &end
#
#   85 GLN  HG+          85 GLN  HE2+        5.50    (#   1001:10  Unique         2.38, 3.56 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1290,1291,
 &end
#
#   84 TYR  HB+          85 GLN  HE2+        5.50    (#   1002:10  Unique         2.27, 4.10 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1261,1262,
 igr2=1290,1291,
 &end
#
#   78 ASN  HD2+         85 GLN  HE2+        5.50    (#   1003:10  Unique         5.60,10.03 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1178,1179,
 igr2=1290,1291,
 &end
#
#    0 AMB  10-2:1016     0 AMB  10-1:1016   5.50    (#   1016:10  Double Ambig)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1178,1179,1178,1179,
 igr2=1290,1291,1290,1291,
 &end
#
#   85 GLN  HA           85 GLN  HE2+        7.00    (#   1019:10  Unique         3.59, 4.77 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1290,1291,
 &end
#
#   78 ASN  HD2-         85 GLN  HE2+        5.50    (#   1020:10  Unique         5.60,10.03 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1178,1179,
 igr2=1290,1291,
 &end
#
#    0 AMB  10-2:1028     0 AMB  10-1:1028   7.00    (#   1028:10  Double Ambig)
 &rst
  ixpk= 1028, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1909,1394,
 igr2=1290,1291,1290,1291,
 &end
#
#   85 GLN  HG+          85 GLN  HE2+        5.50    (#   1029:10  Unique         2.38, 3.56 A)
 &rst
  ixpk= 1029, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1290,1291,
 &end
#
#   83 GLU  HN           85 GLN  HE2+        7.00    (#   1031:10  Unique         4.88, 7.08 A)
 &rst
  ixpk= 1031, nxpk= 10, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1290,1291,
 &end
#
#   84 TYR  HB+          85 GLN  HE2+        5.50    (#   1035:10  Unique         2.27, 4.10 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1261,1262,
 igr2=1290,1291,
 &end
#
#   77 ASN  HA           77 ASN  HD2-        7.00    (#   1040:10  Unique         2.16, 3.77 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=1157,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1164,1165,
 &end
#
#   77 ASN  HB-          77 ASN  HD2-        4.50    (#   1043:10  Unique         2.27, 3.47 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1159,1160,
 igr2=1164,1165,
 &end
#
#   77 ASN  HB+          77 ASN  HD2-        3.50    (#   1044:10  Unique         2.27, 3.47 A)
 &rst
  ixpk= 1044, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1159,1160,
 igr2=1164,1165,
 &end
#
#   77 ASN  HB-          77 ASN  HD2+        4.50    (#   1049:10  Unique         2.27, 3.47 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1159,1160,
 igr2=1164,1165,
 &end
#
#   77 ASN  HB+          77 ASN  HD2+        3.50    (#   1050:10  Unique         2.27, 3.47 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1159,1160,
 igr2=1164,1165,
 &end
#
#   79 SER  HB-          77 ASN  HD2-        7.00    (#   1053:10  Unique         2.46, 4.42 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1187,1188,
 igr2=1164,1165,
 &end
#
#  123 GLY  HN          122 TYR  HN          2.80    (#   1057:10  Unique         2.71, 2.81 A)
 &rst
  ixpk= 1057, nxpk= 10, iat=1909,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 ARG  HN          122 TYR  HN          3.50    (#   1058:10  Unique         2.61, 2.78 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=1864,1888, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:1059   122 TYR  HN          5.50    (#   1059:10  Single Ambig)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1845,1290,1291,
 &end
#
#    0 AMB  10-2:1061   122 TYR  HN          4.50    (#   1061:10  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1816,1911,1912,
 &end
#
#    0 AMB  10-2:1062   122 TYR  HN          3.50    (#   1062:10  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1830,1866,
 &end
#
#    0 AMB  10-2:1063   122 TYR  HN          3.50    (#   1063:10  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1892,1893,1874,1875,
 &end
#
#    0 AMB  10-2:1064   122 TYR  HN          3.50    (#   1064:10  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1892,1893,1874,1875,
 &end
#
#    0 AMB  10-2:1065   122 TYR  HN          4.50    (#   1065:10  Single Ambig)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1868,1869,1820,1821,1822,
 &end
#
#  121 ARG  HB+         122 TYR  HN          4.50    (#   1066:10  Unique         3.20, 4.15 A)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1868,1869,
 &end
#
#    0 AMB  10-2:1067     6 GLN  HE2-        5.50    (#   1067:10  Single Ambig)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1087,1088, 250, 251,
 igr2=  85,  86,
 &end
#
#    0 AMB  10-2:1068     0 AMB  10-1:1068   5.50    (#   1068:10  Double Ambig)
 &rst
  ixpk= 1068, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 250, 251,1076,1077,
 igr2=  85,  86,  85,  86,
 &end
#
#  124 LYS  HN          122 TYR  HN          7.00    (#   1069:10  Unique         4.55, 4.78 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=1916,1888, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  122 TYR  HD          119 GLN  HE2+        5.50    (#   1075:10  Unique         3.72, 7.18 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1896,1905,
 igr2=1840,1841,
 &end
#
#    0 AMB  10-2:1076   119 GLN  HE2-        7.00    (#   1076:10  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1828,1888,
 igr2=1840,1841,
 &end
#
#    0 AMB  10-2:1077   119 GLN  HE2-        7.00    (#   1077:10  Single Ambig)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1786,1794,1501,
 igr2=1840,1841,
 &end
#
#    0 AMB  10-2:1079     0 AMB  10-1:1079   7.00    (#   1079:10  Double Ambig)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1786,1794,1501,
 igr2=1840,1841,1840,1841,
 &end
#
#    0 AMB  10-2:1084     0 AMB  10-1:1084   5.50    (#   1084:10  Double Ambig)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1780,1763,
 igr2=1840,1841,1840,1841,
 &end
#
#  119 GLN  HG-         119 GLN  HE2+        5.50    (#   1085:10  Unique         2.25, 3.43 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1836,
 igr2=1840,1841,
 &end
#
#  119 GLN  HG+         119 GLN  HE2+        4.50    (#   1086:10  Unique         2.25, 3.43 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1835,1836,
 igr2=1840,1841,
 &end
#
#   78 ASN  HB-          78 ASN  HD2+        4.50    (#   1087:10  Unique         2.17, 3.34 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1173,1174,
 igr2=1178,1179,
 &end
#
#   78 ASN  HB+          78 ASN  HD2+        3.50    (#   1088:10  Unique         2.17, 3.34 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1173,1174,
 igr2=1178,1179,
 &end
#
#   76 VAL  MGY          78 ASN  HD2+        4.50    (#   1089:10  Unique         3.81, 6.42 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2=1178,1179,
 &end
#
#   13 LEU  HN           78 ASN  HD2-        7.00    (#   1090:10  Unique         2.23, 3.87 A)
 &rst
  ixpk= 1090, nxpk= 10, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1178,1179,
 &end
#
#   12 ASP  HA           78 ASN  HD2-        4.50    (#   1091:10  Unique         2.13, 3.75 A)
 &rst
  ixpk= 1091, nxpk= 10, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1178,1179,
 &end
#
#  122 TYR  HD          119 GLN  HE2-        5.50    (#   1093:10  Unique         3.72, 7.18 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1896,1905,
 igr2=1840,1841,
 &end
#
#    0 AMB  10-2:1097   119 GLN  HE2-        5.50    (#   1097:10  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1780,1763,
 igr2=1840,1841,
 &end
#
#  119 GLN  HG-         119 GLN  HE2-        5.50    (#   1098:10  Unique         2.25, 3.43 A)
 &rst
  ixpk= 1098, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1836,
 igr2=1840,1841,
 &end
#
#   13 LEU  HN           78 ASN  HD2+        5.50    (#   1100:10  Unique         2.23, 3.87 A)
 &rst
  ixpk= 1100, nxpk= 10, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1178,1179,
 &end
#
#   12 ASP  HA           78 ASN  HD2+        4.50    (#   1102:10  Unique         2.13, 3.75 A)
 &rst
  ixpk= 1102, nxpk= 10, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1178,1179,
 &end
#
#   78 ASN  HB-          78 ASN  HD2-        3.50    (#   1104:10  Unique         2.17, 3.34 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1173,1174,
 igr2=1178,1179,
 &end
#
#   78 ASN  HB+          78 ASN  HD2-        3.50    (#   1105:10  Unique         2.17, 3.34 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1173,1174,
 igr2=1178,1179,
 &end
#
#   76 VAL  MGY          78 ASN  HD2-        4.50    (#   1106:10  Unique         3.81, 6.42 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2=1178,1179,
 &end
#
#  119 GLN  HG+         119 GLN  HE2-        5.50    (#   1110:10  Unique         2.25, 3.43 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1836,
 igr2=1840,1841,
 &end
#
#    0 AMB  10-2:1112    33 VAL  HN          7.00    (#   1112:10  Single Ambig)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 513, 921, 922,
 &end
#
#    0 AMB  10-2:1113    33 VAL  HN          7.00    (#   1113:10  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 453, 454, 924, 925,
 &end
#
#   65 LEU  HN           33 VAL  HN          4.50    (#   1114:10  Unique         3.57, 3.77 A)
 &rst
  ixpk= 1114, nxpk= 10, iat= 980, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HD           33 VAL  HN          4.50    (#   1115:10  Unique         3.03, 4.57 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 496, 505,
 &end
#
#   64 ARG  HA           33 VAL  HN          4.50    (#   1116:10  Unique         3.62, 3.80 A)
 &rst
  ixpk= 1116, nxpk= 10, iat= 958, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HB+          33 VAL  HN          3.50    (#   1117:10  Unique         2.59, 3.29 A)
 &rst
  ixpk= 1117, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   28 ILE  QD1          33 VAL  HN          7.00    (#   1118:10  Unique         3.97, 5.15 A)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 456, 457, 458,
 &end
#
#   34 ILE  HN           33 VAL  HN          5.50    (#   1120:10  Unique         4.34, 4.36 A)
 &rst
  ixpk= 1120, nxpk= 10, iat= 525, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   63 GLU  HN           33 VAL  HN          3.50    (#   1121:10  Unique         2.65, 2.74 A)
 &rst
  ixpk= 1121, nxpk= 10, iat= 941, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  HA           33 VAL  HN          4.50    (#   1122:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1122, nxpk= 10, iat= 511, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HA           33 VAL  HN          2.80    (#   1123:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 1123, nxpk= 10, iat= 490, 509, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 TYR  HB-          33 VAL  HN          3.50    (#   1124:10  Unique         2.59, 3.29 A)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   33 VAL  MGY          33 VAL  HN          3.50    (#   1125:10  Unique         2.38, 3.70 A)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  MGX          33 VAL  HN          4.50    (#   1126:10  Unique         2.38, 3.70 A)
 &rst
  ixpk= 1126, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  10-2:1128    33 VAL  HN          5.50    (#   1128:10  Single Ambig)
 &rst
  ixpk= 1128, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 984, 985, 535, 536, 963, 964,
 &end
#
#  122 TYR  HN          123 GLY  HN          2.80    (#   1132:10  Unique         2.71, 2.81 A)
 &rst
  ixpk= 1132, nxpk= 10, iat=1888,1909, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 GLY  HA-         123 GLY  HN          2.80    (#   1133:10  Unique         2.23, 2.49 A)
 &rst
  ixpk= 1133, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1911,1912,
 &end
#
#  121 ARG  HA          123 GLY  HN          3.50    (#   1134:10  Unique         2.83, 3.10 A)
 &rst
  ixpk= 1134, nxpk= 10, iat=1866,1909, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 GLY  HA+         123 GLY  HN          2.80    (#   1135:10  Unique         2.23, 2.49 A)
 &rst
  ixpk= 1135, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1911,1912,
 &end
#
#  122 TYR  HB-         123 GLY  HN          3.50    (#   1136:10  Unique         3.06, 3.66 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1892,1893,
 &end
#
#  122 TYR  HB+         123 GLY  HN          4.50    (#   1137:10  Unique         3.06, 3.66 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1892,1893,
 &end
#
#  124 LYS  HN          123 GLY  HN          4.50    (#   1138:10  Unique         2.87, 3.08 A)
 &rst
  ixpk= 1138, nxpk= 10, iat=1916,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 PHE  HB+         117 VAL  HN          5.50    (#   1147:10  Unique         2.46, 3.36 A)
 &rst
  ixpk= 1147, nxpk= 10, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1782,1783,
 &end
#
#  117 VAL  MGY         117 VAL  HN          3.50    (#   1148:10  Unique         2.05, 3.21 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  MGX         117 VAL  HN          4.50    (#   1149:10  Unique         2.05, 3.21 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  118 THR  HN          117 VAL  HN          5.50    (#   1150:10  Unique         2.70, 2.78 A)
 &rst
  ixpk= 1150, nxpk= 10, iat=1814,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 THR  HN          117 VAL  HN          5.50    (#   1152:10  Unique         2.70, 2.78 A)
 &rst
  ixpk= 1152, nxpk= 10, iat=1814,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 VAL  HN           70 GLY  HN          3.50    (#   1158:10  Unique         2.55, 2.76 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=1042,1058, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 GLY  HA-          70 GLY  HN          2.80    (#   1161:10  Unique         2.24, 2.54 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1060,1061,
 &end
#
#   70 GLY  HA+          70 GLY  HN          2.80    (#   1162:10  Unique         2.24, 2.54 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1060,1061,
 &end
#
#   69 VAL  HA           70 GLY  HN          5.50    (#   1163:10  Unique         3.48, 3.53 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=1044,1058, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 VAL  HB           70 GLY  HN          4.50    (#   1164:10  Unique         3.04, 3.36 A)
 &rst
  ixpk= 1164, nxpk= 10, iat=1046,1058, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  MGY          70 GLY  HN          3.50    (#   1165:10  Unique         3.04, 4.79 A)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  10-2:1166    70 GLY  HN          3.50    (#   1166:10  Single Ambig)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   67 ASP  HA           70 GLY  HN          5.50    (#   1167:10  Unique         3.65, 3.81 A)
 &rst
  ixpk= 1167, nxpk= 10, iat=1016,1058, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1168    70 GLY  HN          7.00    (#   1168:10  Single Ambig)
 &rst
  ixpk= 1168, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1030, 273, 274,
 &end
#
#  117 VAL  HA          117 VAL  HN          7.00    (#   1169:10  Unique         2.84, 2.88 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=1800,1798, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:1170   117 VAL  HN          7.00    (#   1170:10  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1782,1783,1748,
 &end
#
#    0 AMB  10-2:1171   117 VAL  HN          7.00    (#   1171:10  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1780,1763,
 &end
#
#    0 AMB  10-2:1173   123 GLY  HN          7.00    (#   1173:10  Single Ambig)
 &rst
  ixpk= 1173, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1398,1832,1833,
 &end
#
#   92 ILE  HG1+        123 GLY  HN          7.00    (#   1174:10  Unique         2.67, 5.25 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1404,1405,
 &end
#
#    0 AMB  10-2:1175   119 GLN  HE2-        7.00    (#   1175:10  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1847,1447,1448,
 igr2=1840,1841,
 &end
#
#    0 AMB  10-2:1176    11 GLY  HN          7.00    (#   1176:10  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1423,1424, 412, 413, 414, 416, 417, 418,
 &end
#
#    0 AMB  10-2:1178    99 MET  HN          7.00    (#   1178:10  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 885, 886, 887, 889, 890, 891,1854,1855,1856,1858,
      1859,1860,
 &end
#
#    0 AMB  10-2:1179    99 MET  HN          7.00    (#   1179:10  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1458,1459,1460,1852,
 &end
#
#   95 SER  HN           93 ILE  HN          5.50    (#   1180:10  Unique         4.01, 4.12 A)
 &rst
  ixpk= 1180, nxpk= 10, iat=1443,1413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1181    93 ILE  HN          7.00    (#   1181:10  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1380,1447,1448, 151,
 &end
#
#    0 AMB  10-2:1182    93 ILE  HN          7.00    (#   1182:10  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1353,1354,1355,1357,1358,1359,1384,1385,1386,1388,
      1389,1390,
 &end
#
#   92 ILE  HG1-         93 ILE  HN          7.00    (#   1183:10  Unique         3.83, 4.65 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1404,1405,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   8.842  -9.696  -4.679
    2    H2   MET   1           H2       MET   1  10.449  -9.999  -4.745
    3    H3   MET   1           H3       MET   1   9.633 -10.253  -3.353
    4    HA   MET   1           HA       MET   1  10.108  -7.651  -4.663
    5    HB2  MET   1           HB2      MET   1   9.031  -6.535  -2.825
    6    HB3  MET   1           HB3      MET   1   7.912  -7.682  -3.542
    7    HG2  MET   1           HG2      MET   1   8.274  -9.248  -1.657
    8    HG3  MET   1           HG3      MET   1   9.498  -8.172  -0.983
    9    HE1  MET   1           HE1      MET   1   5.698  -8.867  -1.527
   10    HE2  MET   1           HE2      MET   1   4.928  -7.375  -0.944
   11    HE3  MET   1           HE3      MET   1   5.829  -7.360  -2.471
   12    H    ALA   2           H        ALA   2  11.479  -6.142  -3.424
   13    HA   ALA   2           HA       ALA   2  13.862  -7.457  -2.392
   14    HB1  ALA   2           HB1      ALA   2  13.088  -4.507  -2.600
   15    HB2  ALA   2           HB2      ALA   2  14.718  -5.143  -2.308
   16    HB3  ALA   2           HB3      ALA   2  13.914  -5.459  -3.857
   17    H    SER   3           H        SER   3  11.130  -5.759  -0.874
   18    HA   SER   3           HA       SER   3  12.292  -5.325   1.673
   19    HB2  SER   3           HB2      SER   3   9.363  -5.745   0.969
   20    HB3  SER   3           HB3      SER   3   9.984  -4.981   2.441
   21    HG   SER   3           HG       SER   3   9.392  -3.427   0.858
   22    HA   PRO   4           HA       PRO   4  12.114  -9.373   3.549
   23    HB2  PRO   4           HB2      PRO   4  12.095  -8.792   6.222
   24    HB3  PRO   4           HB3      PRO   4  13.509  -8.493   5.172
   25    HG2  PRO   4           HG2      PRO   4  11.370  -6.514   6.018
   26    HG3  PRO   4           HG3      PRO   4  13.152  -6.310   6.074
   27    HD2  PRO   4           HD2      PRO   4  11.664  -5.330   4.026
   28    HD3  PRO   4           HD3      PRO   4  13.289  -6.026   3.746
   29    H    HIS   5           H        HIS   5   9.530  -7.053   4.275
   30    HA   HIS   5           HA       HIS   5   7.482  -9.088   4.188
   31    HB2  HIS   5           HB2      HIS   5   6.576  -8.683   6.453
   32    HB3  HIS   5           HB3      HIS   5   8.172  -9.390   6.523
   33    HD1  HIS   5           HD1      HIS   5   6.455  -5.975   7.161
   34    HD2  HIS   5           HD2      HIS   5  10.064  -8.061   7.795
   35    HE1  HIS   5           HE1      HIS   5   7.838  -4.552   8.754
   36    H    GLN   6           H        GLN   6   5.258  -7.974   4.648
   37    HA   GLN   6           HA       GLN   6   5.069  -5.432   3.188
   38    HB2  GLN   6           HB2      GLN   6   3.096  -7.232   4.644
   39    HB3  GLN   6           HB3      GLN   6   2.616  -5.661   4.009
   40    HG2  GLN   6           HG2      GLN   6   3.107  -6.287   1.756
   41    HG3  GLN   6           HG3      GLN   6   3.873  -7.810   2.265
   42   HE21  GLN   6          HE22      GLN   6   2.260  -9.306   3.690
   43   HE22  GLN   6          HE21      GLN   6   0.595  -9.303   3.126
   44    H    GLU   7           H        GLU   7   4.650  -3.409   4.045
   45    HA   GLU   7           HA       GLU   7   5.083  -3.075   6.988
   46    HB2  GLU   7           HB2      GLU   7   6.800  -2.106   5.522
   47    HB3  GLU   7           HB3      GLU   7   5.558  -1.163   4.685
   48    HG2  GLU   7           HG2      GLU   7   5.031  -0.053   6.926
   49    HG3  GLU   7           HG3      GLU   7   6.425  -0.909   7.597
   50    HA   PRO   8           HA       PRO   8   0.809  -1.428   6.649
   51    HB2  PRO   8           HB2      PRO   8   0.138  -1.478   9.279
   52    HB3  PRO   8           HB3      PRO   8   0.124  -2.941   8.243
   53    HG2  PRO   8           HG2      PRO   8   2.290  -2.036  10.157
   54    HG3  PRO   8           HG3      PRO   8   1.576  -3.666   9.970
   55    HD2  PRO   8           HD2      PRO   8   3.947  -2.899   8.795
   56    HD3  PRO   8           HD3      PRO   8   2.849  -4.098   8.047
   57    H    LYS   9           H        LYS   9   0.150   0.667   6.852
   58    HA   LYS   9           HA       LYS   9   2.182   2.622   7.769
   59    HB2  LYS   9           HB2      LYS   9  -0.212   2.665   5.914
   60    HB3  LYS   9           HB3      LYS   9   0.373   4.169   6.597
   61    HG2  LYS   9           HG2      LYS   9   1.272   3.683   4.354
   62    HG3  LYS   9           HG3      LYS   9   2.504   3.973   5.579
   63    HD2  LYS   9           HD2      LYS   9   3.094   1.610   5.659
   64    HD3  LYS   9           HD3      LYS   9   1.745   1.177   4.592
   65    HE2  LYS   9           HE2      LYS   9   2.689   2.362   2.736
   66    HE3  LYS   9           HE3      LYS   9   3.882   3.181   3.754
   67    HZ1  LYS   9           HZ1      LYS   9   4.784   1.275   2.469
   68    HZ2  LYS   9           HZ2      LYS   9   5.051   1.164   4.077
   69    HZ3  LYS   9           HZ3      LYS   9   3.869   0.242   3.365
   70    HA   PRO  10           HA       PRO  10   0.071   3.331  11.555
   71    HB2  PRO  10           HB2      PRO  10   0.785   5.892  12.221
   72    HB3  PRO  10           HB3      PRO  10   1.894   4.473  12.302
   73    HG2  PRO  10           HG2      PRO  10   1.601   6.512  10.059
   74    HG3  PRO  10           HG3      PRO  10   3.111   5.936  10.837
   75    HD2  PRO  10           HD2      PRO  10   2.252   4.892   8.488
   76    HD3  PRO  10           HD3      PRO  10   2.966   3.829   9.744
   77    H    GLY  11           H        GLY  11  -1.939   3.659  12.027
   78    HA2  GLY  11           HA2      GLY  11  -4.063   4.528  12.116
   79    HA3  GLY  11           HA3      GLY  11  -3.561   5.913  11.123
   80    H    ASP  12           H        ASP  12  -2.660   3.218   9.387
   81    HA   ASP  12           HA       ASP  12  -5.217   3.107   7.850
   82    HB2  ASP  12           HB2      ASP  12  -2.344   2.530   7.123
   83    HB3  ASP  12           HB3      ASP  12  -3.644   1.715   6.270
   84    H    LEU  13           H        LEU  13  -5.822   0.967   7.018
   85    HA   LEU  13           HA       LEU  13  -5.678  -0.978   9.253
   86    HB2  LEU  13           HB2      LEU  13  -8.045  -1.468   8.944
   87    HB3  LEU  13           HB3      LEU  13  -7.693   0.172   9.398
   88    HG   LEU  13           HG       LEU  13  -7.886   0.595   6.732
   89   HD11  LEU  13          HD11      LEU  13  -8.346  -1.736   6.138
   90   HD12  LEU  13          HD12      LEU  13  -9.693  -1.799   7.289
   91   HD13  LEU  13          HD13      LEU  13  -9.800  -0.762   5.862
   92   HD21  LEU  13          HD21      LEU  13 -10.247   1.243   7.202
   93   HD22  LEU  13          HD22      LEU  13 -10.147   0.388   8.757
   94   HD23  LEU  13          HD23      LEU  13  -9.115   1.797   8.438
   95    H    ILE  14           H        ILE  14  -5.944  -3.053   8.973
   96    HA   ILE  14           HA       ILE  14  -4.678  -4.106   6.478
   97    HB   ILE  14           HB       ILE  14  -4.178  -5.211   9.247
   98   HG12  ILE  14          HG12      ILE  14  -2.471  -2.920   8.203
   99   HG13  ILE  14          HG13      ILE  14  -3.672  -2.752   9.488
  100   HG21  ILE  14          HG21      ILE  14  -2.368  -4.966   6.801
  101   HG22  ILE  14          HG22      ILE  14  -2.097  -5.993   8.224
  102   HG23  ILE  14          HG23      ILE  14  -3.424  -6.356   7.122
  103   HD11  ILE  14          HD11      ILE  14  -2.507  -4.451  10.855
  104   HD12  ILE  14          HD12      ILE  14  -1.198  -4.498   9.647
  105   HD13  ILE  14          HD13      ILE  14  -1.548  -3.003  10.529
  106    H    GLU  15           H        GLU  15  -5.615  -5.878   5.636
  107    HA   GLU  15           HA       GLU  15  -7.858  -7.264   6.964
  108    HB2  GLU  15           HB2      GLU  15  -7.802  -6.575   4.519
  109    HB3  GLU  15           HB3      GLU  15  -6.499  -7.738   4.273
  110    HG2  GLU  15           HG2      GLU  15  -8.050  -9.551   5.085
  111    HG3  GLU  15           HG3      GLU  15  -9.341  -8.345   5.190
  112    H    ILE  16           H        ILE  16  -7.450  -9.062   8.187
  113    HA   ILE  16           HA       ILE  16  -4.748 -10.385   8.035
  114    HB   ILE  16           HB       ILE  16  -6.548 -10.181  10.470
  115   HG12  ILE  16          HG12      ILE  16  -5.852  -7.900  10.037
  116   HG13  ILE  16          HG13      ILE  16  -5.100  -8.548  11.476
  117   HG21  ILE  16          HG21      ILE  16  -4.496 -10.901  11.681
  118   HG22  ILE  16          HG22      ILE  16  -5.035 -12.097  10.511
  119   HG23  ILE  16          HG23      ILE  16  -3.651 -11.070  10.126
  120   HD11  ILE  16          HD11      ILE  16  -2.965  -8.896  10.199
  121   HD12  ILE  16          HD12      ILE  16  -3.759  -8.164   8.783
  122   HD13  ILE  16          HD13      ILE  16  -3.494  -7.212  10.256
  123    H    PHE  17           H        PHE  17  -4.819 -12.391   7.300
  124    HA   PHE  17           HA       PHE  17  -7.233 -14.086   7.477
  125    HB2  PHE  17           HB2      PHE  17  -5.851 -14.019   5.418
  126    HB3  PHE  17           HB3      PHE  17  -4.456 -14.550   6.337
  127    HD1  PHE  17           HD2      PHE  17  -8.018 -15.601   5.650
  128    HD2  PHE  17           HD1      PHE  17  -3.939 -16.861   6.281
  129    HE1  PHE  17           HE2      PHE  17  -8.676 -17.950   5.213
  130    HE2  PHE  17           HE1      PHE  17  -4.600 -19.208   5.831
  131    HZ   PHE  17           HZ       PHE  17  -6.966 -19.758   5.289
  132    H    ARG  18           H        ARG  18  -7.203 -13.803   9.830
  133    HA   ARG  18           HA       ARG  18  -5.016 -14.730  11.444
  134    HB2  ARG  18           HB2      ARG  18  -7.117 -13.032  11.809
  135    HB3  ARG  18           HB3      ARG  18  -7.695 -14.431  12.698
  136    HG2  ARG  18           HG2      ARG  18  -5.030 -12.992  13.145
  137    HG3  ARG  18           HG3      ARG  18  -6.515 -12.723  14.053
  138    HD2  ARG  18           HD2      ARG  18  -6.426 -15.189  14.727
  139    HD3  ARG  18           HD3      ARG  18  -4.792 -15.230  14.061
  140    HE   ARG  18           HE       ARG  18  -5.760 -13.811  16.465
  141   HH11  ARG  18          HH11      ARG  18  -2.930 -14.331  14.382
  142   HH12  ARG  18          HH12      ARG  18  -1.840 -13.711  15.598
  143   HH21  ARG  18          HH21      ARG  18  -4.282 -13.046  17.951
  144   HH22  ARG  18          HH22      ARG  18  -2.588 -13.017  17.603
  145    H    LEU  19           H        LEU  19  -7.710 -16.370  10.118
  146    HA   LEU  19           HA       LEU  19  -7.392 -18.909  11.572
  147    HB2  LEU  19           HB2      LEU  19  -9.305 -16.661  12.189
  148    HB3  LEU  19           HB3      LEU  19 -10.033 -18.256  12.189
  149    HG   LEU  19           HG       LEU  19  -7.712 -17.388  13.952
  150   HD11  LEU  19          HD11      LEU  19 -10.647 -17.907  14.583
  151   HD12  LEU  19          HD12      LEU  19  -9.375 -17.500  15.758
  152   HD13  LEU  19          HD13      LEU  19  -9.848 -16.318  14.530
  153   HD21  LEU  19          HD21      LEU  19  -7.569 -19.818  13.524
  154   HD22  LEU  19          HD22      LEU  19  -8.144 -19.524  15.163
  155   HD23  LEU  19          HD23      LEU  19  -9.295 -20.006  13.900
  156    H    GLY  20           H        GLY  20 -10.028 -19.821  10.969
  157    HA2  GLY  20           HA2      GLY  20  -9.993 -20.216   8.060
  158    HA3  GLY  20           HA3      GLY  20 -11.197 -20.836   9.218
  159    H    TYR  21           H        TYR  21 -10.196 -17.485   8.771
  160    HA   TYR  21           HA       TYR  21 -12.498 -16.439   7.436
  161    HB2  TYR  21           HB2      TYR  21 -13.542 -17.136   9.618
  162    HB3  TYR  21           HB3      TYR  21 -12.368 -16.147  10.470
  163    HD1  TYR  21           HD1      TYR  21 -14.774 -15.768   7.578
  164    HD2  TYR  21           HD2      TYR  21 -13.209 -14.089  11.234
  165    HE1  TYR  21           HE1      TYR  21 -16.234 -13.775   7.286
  166    HE2  TYR  21           HE2      TYR  21 -14.692 -12.115  10.968
  167    HH   TYR  21           HH       TYR  21 -16.237 -11.062   9.620
  168    H    GLU  22           H        GLU  22 -12.459 -14.042   7.407
  169    HA   GLU  22           HA       GLU  22  -9.682 -12.987   7.659
  170    HB2  GLU  22           HB2      GLU  22 -11.972 -12.028   5.905
  171    HB3  GLU  22           HB3      GLU  22 -10.376 -11.298   6.034
  172    HG2  GLU  22           HG2      GLU  22 -10.261 -12.575   4.077
  173    HG3  GLU  22           HG3      GLU  22  -9.386 -13.527   5.274
  174    H    HIS  23           H        HIS  23  -9.259 -11.501   9.108
  175    HA   HIS  23           HA       HIS  23 -11.454 -10.050  10.546
  176    HB2  HIS  23           HB2      HIS  23  -8.590 -10.742  11.362
  177    HB3  HIS  23           HB3      HIS  23  -9.694  -9.769  12.318
  178    HD1  HIS  23           HD1      HIS  23 -10.508 -11.166  14.299
  179    HD2  HIS  23           HD2      HIS  23  -9.945 -13.396  10.772
  180    HE1  HIS  23           HE1      HIS  23 -10.974 -13.608  14.889
  181    H    TRP  24           H        TRP  24 -10.788  -7.826  11.316
  182    HA   TRP  24           HA       TRP  24  -8.914  -6.425   9.436
  183    HB2  TRP  24           HB2      TRP  24 -11.383  -5.433  10.903
  184    HB3  TRP  24           HB3      TRP  24 -10.184  -4.379  10.172
  185    HD1  TRP  24           HD1      TRP  24 -13.345  -5.881   9.468
  186    HE1  TRP  24           HE1      TRP  24 -13.959  -5.755   6.962
  187    HE3  TRP  24           HE3      TRP  24  -8.784  -4.572   7.616
  188    HZ2  TRP  24           HZ2      TRP  24 -12.619  -5.110   4.485
  189    HZ3  TRP  24           HZ3      TRP  24  -8.474  -4.155   5.200
  190    HH2  TRP  24           HH2      TRP  24 -10.379  -4.422   3.618
  191    H    ALA  25           H        ALA  25  -7.421  -4.996  10.283
  192    HA   ALA  25           HA       ALA  25  -7.486  -4.374  13.160
  193    HB1  ALA  25           HB1      ALA  25  -5.998  -6.390  12.911
  194    HB2  ALA  25           HB2      ALA  25  -5.002  -5.492  11.752
  195    HB3  ALA  25           HB3      ALA  25  -5.091  -4.958  13.442
  196    H    LEU  26           H        LEU  26  -6.231  -2.551  13.784
  197    HA   LEU  26           HA       LEU  26  -5.611  -0.569  11.605
  198    HB2  LEU  26           HB2      LEU  26  -7.758  -0.374  13.045
  199    HB3  LEU  26           HB3      LEU  26  -6.723  -0.067  14.408
  200    HG   LEU  26           HG       LEU  26  -7.605   1.974  13.681
  201   HD11  LEU  26          HD11      LEU  26  -5.165   2.058  14.269
  202   HD12  LEU  26          HD12      LEU  26  -4.803   2.096  12.528
  203   HD13  LEU  26          HD13      LEU  26  -5.752   3.394  13.272
  204   HD21  LEU  26          HD21      LEU  26  -7.453   2.881  11.416
  205   HD22  LEU  26          HD22      LEU  26  -6.547   1.464  10.873
  206   HD23  LEU  26          HD23      LEU  26  -8.250   1.303  11.383
  207    H    TYR  27           H        TYR  27  -3.476  -0.015  11.616
  208    HA   TYR  27           HA       TYR  27  -1.700  -0.799  13.783
  209    HB2  TYR  27           HB2      TYR  27  -1.301  -0.896  11.282
  210    HB3  TYR  27           HB3      TYR  27  -1.143   0.839  11.297
  211    HD1  TYR  27           HD1      TYR  27   0.216  -2.049  13.351
  212    HD2  TYR  27           HD2      TYR  27   1.090   1.472  11.053
  213    HE1  TYR  27           HE1      TYR  27   2.642  -2.451  13.655
  214    HE2  TYR  27           HE2      TYR  27   3.510   1.089  11.343
  215    HH   TYR  27           HH       TYR  27   5.119  -0.327  12.152
  216    H    ILE  28           H        ILE  28  -2.192   0.331  15.634
  217    HA   ILE  28           HA       ILE  28  -2.491   3.265  15.600
  218    HB   ILE  28           HB       ILE  28  -2.724   3.043  18.071
  219   HG12  ILE  28          HG12      ILE  28  -2.867   0.028  17.697
  220   HG13  ILE  28          HG13      ILE  28  -1.373   0.823  18.190
  221   HG21  ILE  28          HG21      ILE  28  -4.966   2.175  17.957
  222   HG22  ILE  28          HG22      ILE  28  -4.611   3.056  16.472
  223   HG23  ILE  28          HG23      ILE  28  -4.602   1.276  16.462
  224   HD11  ILE  28          HD11      ILE  28  -3.989   1.042  19.725
  225   HD12  ILE  28          HD12      ILE  28  -2.621  -0.012  20.131
  226   HD13  ILE  28          HD13      ILE  28  -2.426   1.753  20.178
  227    H    GLY  29           H        GLY  29   0.248   1.171  16.107
  228    HA2  GLY  29           HA2      GLY  29   1.948   3.522  16.623
  229    HA3  GLY  29           HA3      GLY  29   1.916   2.297  17.893
  230    H    ASP  30           H        ASP  30   4.294   2.721  16.773
  231    HA   ASP  30           HA       ASP  30   4.846   1.079  14.486
  232    HB2  ASP  30           HB2      ASP  30   6.644   2.200  16.667
  233    HB3  ASP  30           HB3      ASP  30   7.238   1.303  15.268
  234    H    GLY  31           H        GLY  31   3.916  -0.900  14.828
  235    HA2  GLY  31           HA2      GLY  31   4.353  -3.198  15.178
  236    HA3  GLY  31           HA3      GLY  31   5.242  -2.826  16.680
  237    H    TYR  32           H        TYR  32   2.250  -1.132  16.489
  238    HA   TYR  32           HA       TYR  32   0.906  -3.232  18.166
  239    HB2  TYR  32           HB2      TYR  32   1.141  -0.251  18.674
  240    HB3  TYR  32           HB3      TYR  32   0.007  -1.304  19.512
  241    HD1  TYR  32           HD1      TYR  32   0.802  -3.171  20.970
  242    HD2  TYR  32           HD2      TYR  32   3.523  -0.292  19.257
  243    HE1  TYR  32           HE1      TYR  32   2.546  -3.850  22.603
  244    HE2  TYR  32           HE2      TYR  32   5.270  -0.968  20.890
  245    HH   TYR  32           HH       TYR  32   4.698  -3.516  23.343
  246    H    VAL  33           H        VAL  33  -1.266  -3.533  17.991
  247    HA   VAL  33           HA       VAL  33  -2.712  -1.948  15.934
  248    HB   VAL  33           HB       VAL  33  -3.657  -4.086  15.018
  249   HG11  VAL  33          HG11      VAL  33  -1.980  -2.896  13.743
  250   HG12  VAL  33          HG12      VAL  33  -0.672  -3.735  14.628
  251   HG13  VAL  33          HG13      VAL  33  -1.766  -4.634  13.560
  252   HG21  VAL  33          HG21      VAL  33  -2.426  -6.172  15.258
  253   HG22  VAL  33          HG22      VAL  33  -1.317  -5.439  16.419
  254   HG23  VAL  33          HG23      VAL  33  -3.031  -5.655  16.841
  255    H    ILE  34           H        ILE  34  -4.898  -1.939  15.984
  256    HA   ILE  34           HA       ILE  34  -6.323  -3.126  18.373
  257    HB   ILE  34           HB       ILE  34  -7.042  -0.804  16.531
  258   HG12  ILE  34          HG12      ILE  34  -5.339  -0.235  18.212
  259   HG13  ILE  34          HG13      ILE  34  -6.840   0.655  18.417
  260   HG21  ILE  34          HG21      ILE  34  -8.676  -2.080  18.749
  261   HG22  ILE  34          HG22      ILE  34  -9.011  -0.471  18.070
  262   HG23  ILE  34          HG23      ILE  34  -9.108  -1.898  17.038
  263   HD11  ILE  34          HD11      ILE  34  -5.861  -1.671  20.110
  264   HD12  ILE  34          HD12      ILE  34  -5.983   0.035  20.589
  265   HD13  ILE  34          HD13      ILE  34  -7.455  -0.907  20.298
  266    H    HIS  35           H        HIS  35  -7.815  -4.769  17.867
  267    HA   HIS  35           HA       HIS  35  -8.575  -5.188  15.027
  268    HB2  HIS  35           HB2      HIS  35  -7.617  -7.382  14.919
  269    HB3  HIS  35           HB3      HIS  35  -6.336  -6.280  15.399
  270    HD1  HIS  35           HD1      HIS  35  -8.126  -9.380  16.594
  271    HD2  HIS  35           HD2      HIS  35  -5.628  -6.352  18.111
  272    HE1  HIS  35           HE1      HIS  35  -7.269 -10.215  18.843
  273    H    LEU  36           H        LEU  36 -10.134  -6.982  14.744
  274    HA   LEU  36           HA       LEU  36 -12.065  -6.930  17.008
  275    HB2  LEU  36           HB2      LEU  36 -12.705  -6.045  14.791
  276    HB3  LEU  36           HB3      LEU  36 -12.375  -7.611  14.056
  277    HG   LEU  36           HG       LEU  36 -14.226  -8.576  15.538
  278   HD11  LEU  36          HD11      LEU  36 -15.876  -6.955  16.450
  279   HD12  LEU  36          HD12      LEU  36 -14.320  -6.825  17.282
  280   HD13  LEU  36          HD13      LEU  36 -14.779  -5.616  16.066
  281   HD21  LEU  36          HD21      LEU  36 -16.004  -7.738  14.091
  282   HD22  LEU  36          HD22      LEU  36 -14.997  -6.357  13.613
  283   HD23  LEU  36          HD23      LEU  36 -14.525  -8.011  13.163
  284    H    ALA  37           H        ALA  37 -12.638  -8.621  18.116
  285    HA   ALA  37           HA       ALA  37 -11.947 -11.407  17.305
  286    HB1  ALA  37           HB1      ALA  37 -11.225 -10.593  19.531
  287    HB2  ALA  37           HB2      ALA  37 -12.913 -10.256  19.958
  288    HB3  ALA  37           HB3      ALA  37 -12.402 -11.926  19.645
  289    HA   PRO  38           HA       PRO  38 -16.100 -10.849  15.599
  290    HB2  PRO  38           HB2      PRO  38 -15.837 -13.795  14.961
  291    HB3  PRO  38           HB3      PRO  38 -16.371 -12.467  13.890
  292    HG2  PRO  38           HG2      PRO  38 -13.872 -13.431  13.671
  293    HG3  PRO  38           HG3      PRO  38 -14.141 -11.654  13.643
  294    HD2  PRO  38           HD2      PRO  38 -13.253 -13.388  15.967
  295    HD3  PRO  38           HD3      PRO  38 -12.605 -11.818  15.388
  296    HA   PRO  39           HA       PRO  39 -19.042 -12.667  18.484
  297    HB2  PRO  39           HB2      PRO  39 -21.420 -12.462  17.165
  298    HB3  PRO  39           HB3      PRO  39 -20.483 -11.033  17.663
  299    HG2  PRO  39           HG2      PRO  39 -20.491 -12.381  14.942
  300    HG3  PRO  39           HG3      PRO  39 -20.718 -10.642  15.314
  301    HD2  PRO  39           HD2      PRO  39 -18.294 -11.669  14.596
  302    HD3  PRO  39           HD3      PRO  39 -18.429 -10.344  15.770
  303    H    SER  40           H        SER  40 -17.604 -14.564  16.474
  304    HA   SER  40           HA       SER  40 -19.313 -16.919  16.964
  305    HB2  SER  40           HB2      SER  40 -18.208 -16.175  14.227
  306    HB3  SER  40           HB3      SER  40 -18.765 -17.793  14.671
  307    HG   SER  40           HG       SER  40 -20.416 -16.591  13.636
  308    H    GLU  41           H        GLU  41 -18.149 -18.744  17.389
  309    HA   GLU  41           HA       GLU  41 -15.235 -18.581  17.764
  310    HB2  GLU  41           HB2      GLU  41 -17.189 -20.875  18.227
  311    HB3  GLU  41           HB3      GLU  41 -15.497 -20.832  18.717
  312    HG2  GLU  41           HG2      GLU  41 -16.028 -18.792  20.127
  313    HG3  GLU  41           HG3      GLU  41 -17.738 -19.061  19.766
  314    H    TYR  42           H        TYR  42 -13.854 -20.424  16.977
  315    HA   TYR  42           HA       TYR  42 -14.083 -20.924  14.151
  316    HB2  TYR  42           HB2      TYR  42 -11.956 -20.823  15.401
  317    HB3  TYR  42           HB3      TYR  42 -12.395 -22.272  16.293
  318    HD1  TYR  42           HD2      TYR  42 -11.523 -20.929  12.929
  319    HD2  TYR  42           HD1      TYR  42 -12.080 -24.467  15.334
  320    HE1  TYR  42           HE2      TYR  42 -10.505 -22.314  11.126
  321    HE2  TYR  42           HE1      TYR  42 -11.065 -25.852  13.536
  322    HH   TYR  42           HH       TYR  42  -9.892 -24.431  10.465
  323    HA   PRO  43           HA       PRO  43 -17.108 -24.184  14.400
  324    HB2  PRO  43           HB2      PRO  43 -16.791 -25.453  11.977
  325    HB3  PRO  43           HB3      PRO  43 -17.558 -23.848  12.166
  326    HG2  PRO  43           HG2      PRO  43 -14.680 -24.463  11.425
  327    HG3  PRO  43           HG3      PRO  43 -15.813 -23.317  10.634
  328    HD2  PRO  43           HD2      PRO  43 -13.984 -22.467  12.428
  329    HD3  PRO  43           HD3      PRO  43 -15.632 -21.767  12.421
  330    H    GLY  44           H        GLY  44 -17.304 -26.288  15.064
  331    HA2  GLY  44           HA2      GLY  44 -16.663 -28.427  15.727
  332    HA3  GLY  44           HA3      GLY  44 -15.130 -28.253  14.847
  333    H    ALA  45           H        ALA  45 -16.846 -26.913  17.679
  334    HA   ALA  45           HA       ALA  45 -14.628 -25.807  18.996
  335    HB1  ALA  45           HB1      ALA  45 -16.983 -25.234  19.436
  336    HB2  ALA  45           HB2      ALA  45 -17.262 -26.839  20.149
  337    HB3  ALA  45           HB3      ALA  45 -16.162 -25.696  20.935
  338    H    GLY  46           H        GLY  46 -15.500 -29.183  18.947
  339    HA2  GLY  46           HA2      GLY  46 -14.136 -30.970  19.473
  340    HA3  GLY  46           HA3      GLY  46 -12.971 -29.838  20.189
  341    H    SER  47           H        SER  47 -15.844 -29.297  21.816
  342    HA   SER  47           HA       SER  47 -14.904 -30.886  24.143
  343    HB2  SER  47           HB2      SER  47 -17.102 -28.799  23.886
  344    HB3  SER  47           HB3      SER  47 -16.578 -29.575  25.390
  345    HG   SER  47           HG       SER  47 -15.573 -27.531  25.066
  346    H    SER  48           H        SER  48 -16.084 -32.564  25.147
  347    HA   SER  48           HA       SER  48 -17.916 -34.103  23.603
  348    HB2  SER  48           HB2      SER  48 -18.288 -35.316  25.751
  349    HB3  SER  48           HB3      SER  48 -16.580 -35.098  25.331
  350    HG   SER  48           HG       SER  48 -17.017 -34.625  27.546
  351    H    SER  49           H        SER  49 -18.545 -31.384  25.735
  352    HA   SER  49           HA       SER  49 -21.453 -31.760  25.811
  353    HB2  SER  49           HB2      SER  49 -21.339 -29.548  26.980
  354    HB3  SER  49           HB3      SER  49 -20.348 -30.816  27.717
  355    HG   SER  49           HG       SER  49 -19.229 -28.805  27.523
  356    H    VAL  50           H        VAL  50 -19.349 -30.455  23.381
  357    HA   VAL  50           HA       VAL  50 -21.426 -29.288  21.834
  358    HB   VAL  50           HB       VAL  50 -21.525 -27.501  23.475
  359   HG11  VAL  50          HG11      VAL  50 -18.613 -26.821  22.900
  360   HG12  VAL  50          HG12      VAL  50 -19.735 -25.969  23.970
  361   HG13  VAL  50          HG13      VAL  50 -19.203 -27.601  24.383
  362   HG21  VAL  50          HG21      VAL  50 -21.321 -25.599  22.028
  363   HG22  VAL  50          HG22      VAL  50 -20.199 -26.450  20.957
  364   HG23  VAL  50          HG23      VAL  50 -21.891 -26.988  21.084
  365    H    PHE  51           H        PHE  51 -20.855 -29.291  19.808
  366    HA   PHE  51           HA       PHE  51 -17.996 -28.903  19.024
  367    HB2  PHE  51           HB2      PHE  51 -18.613 -31.305  19.117
  368    HB3  PHE  51           HB3      PHE  51 -19.891 -31.025  17.944
  369    HD1  PHE  51           HD1      PHE  51 -16.262 -31.293  18.495
  370    HD2  PHE  51           HD2      PHE  51 -19.338 -30.582  15.559
  371    HE1  PHE  51           HE1      PHE  51 -14.596 -31.602  16.675
  372    HE2  PHE  51           HE2      PHE  51 -17.676 -30.910  13.742
  373    HZ   PHE  51           HZ       PHE  51 -15.305 -31.409  14.294
  374    H    SER  52           H        SER  52 -21.238 -29.198  17.532
  375    HA   SER  52           HA       SER  52 -20.423 -27.655  15.228
  376    HB2  SER  52           HB2      SER  52 -22.071 -29.560  15.306
  377    HB3  SER  52           HB3      SER  52 -23.238 -28.455  16.053
  378    HG   SER  52           HG       SER  52 -23.471 -28.594  13.762
  379    H    VAL  53           H        VAL  53 -22.094 -26.715  18.192
  380    HA   VAL  53           HA       VAL  53 -23.119 -24.189  17.126
  381    HB   VAL  53           HB       VAL  53 -22.884 -25.118  20.008
  382   HG11  VAL  53          HG11      VAL  53 -24.333 -22.696  18.844
  383   HG12  VAL  53          HG12      VAL  53 -24.506 -23.296  20.509
  384   HG13  VAL  53          HG13      VAL  53 -22.952 -22.662  19.963
  385   HG21  VAL  53          HG21      VAL  53 -24.461 -26.491  18.706
  386   HG22  VAL  53          HG22      VAL  53 -25.338 -25.452  19.834
  387   HG23  VAL  53          HG23      VAL  53 -25.274 -25.027  18.114
  388    H    LEU  54           H        LEU  54 -22.151 -22.303  17.013
  389    HA   LEU  54           HA       LEU  54 -19.549 -21.803  18.391
  390    HB2  LEU  54           HB2      LEU  54 -18.716 -20.872  16.225
  391    HB3  LEU  54           HB3      LEU  54 -18.968 -22.604  16.263
  392    HG   LEU  54           HG       LEU  54 -21.011 -22.409  14.927
  393   HD11  LEU  54          HD11      LEU  54 -21.908 -20.226  15.524
  394   HD12  LEU  54          HD12      LEU  54 -20.455 -19.405  14.902
  395   HD13  LEU  54          HD13      LEU  54 -21.565 -20.238  13.792
  396   HD21  LEU  54          HD21      LEU  54 -18.658 -20.905  13.711
  397   HD22  LEU  54          HD22      LEU  54 -18.819 -22.671  13.839
  398   HD23  LEU  54          HD23      LEU  54 -19.939 -21.753  12.823
  399    H    SER  55           H        SER  55 -22.546 -20.631  18.463
  400    HA   SER  55           HA       SER  55 -22.287 -17.876  17.774
  401    HB2  SER  55           HB2      SER  55 -24.154 -19.144  19.814
  402    HB3  SER  55           HB3      SER  55 -24.361 -17.573  19.020
  403    HG   SER  55           HG       SER  55 -25.590 -19.222  17.998
  404    H    ASN  56           H        ASN  56 -21.705 -16.044  18.911
  405    HA   ASN  56           HA       ASN  56 -21.039 -16.122  21.759
  406    HB2  ASN  56           HB2      ASN  56 -19.112 -17.140  20.196
  407    HB3  ASN  56           HB3      ASN  56 -18.736 -15.448  19.921
  408   HD21  ASN  56          HD22      ASN  56 -18.809 -18.092  22.264
  409   HD22  ASN  56          HD21      ASN  56 -17.934 -17.246  23.526
  410    H    SER  57           H        SER  57 -19.331 -13.815  21.756
  411    HA   SER  57           HA       SER  57 -21.075 -11.634  20.645
  412    HB2  SER  57           HB2      SER  57 -19.609 -11.616  23.304
  413    HB3  SER  57           HB3      SER  57 -20.621 -10.324  22.626
  414    HG   SER  57           HG       SER  57 -21.689 -11.685  24.212
  415    H    ALA  58           H        ALA  58 -19.897  -9.711  19.916
  416    HA   ALA  58           HA       ALA  58 -17.131 -10.333  19.135
  417    HB1  ALA  58           HB1      ALA  58 -18.711  -7.812  18.540
  418    HB2  ALA  58           HB2      ALA  58 -17.334  -8.478  17.647
  419    HB3  ALA  58           HB3      ALA  58 -18.911  -9.293  17.595
  420    H    GLU  59           H        GLU  59 -15.317  -9.032  19.615
  421    HA   GLU  59           HA       GLU  59 -15.613  -6.811  21.544
  422    HB2  GLU  59           HB2      GLU  59 -15.212  -8.889  22.901
  423    HB3  GLU  59           HB3      GLU  59 -13.668  -9.115  22.062
  424    HG2  GLU  59           HG2      GLU  59 -12.843  -6.981  22.948
  425    HG3  GLU  59           HG3      GLU  59 -14.420  -6.614  23.642
  426    H    VAL  60           H        VAL  60 -14.258  -5.157  21.114
  427    HA   VAL  60           HA       VAL  60 -12.140  -5.439  19.044
  428    HB   VAL  60           HB       VAL  60 -13.127  -3.013  20.571
  429   HG11  VAL  60          HG11      VAL  60 -10.792  -2.666  19.897
  430   HG12  VAL  60          HG12      VAL  60 -11.136  -3.277  18.264
  431   HG13  VAL  60          HG13      VAL  60 -11.825  -1.733  18.820
  432   HG21  VAL  60          HG21      VAL  60 -13.649  -3.958  17.721
  433   HG22  VAL  60          HG22      VAL  60 -14.844  -3.815  19.025
  434   HG23  VAL  60          HG23      VAL  60 -14.101  -2.361  18.351
  435    H    LYS  61           H        LYS  61 -10.062  -5.685  19.532
  436    HA   LYS  61           HA       LYS  61  -9.133  -5.484  22.379
  437    HB2  LYS  61           HB2      LYS  61  -8.702  -7.734  20.348
  438    HB3  LYS  61           HB3      LYS  61  -7.979  -7.665  21.965
  439    HG2  LYS  61           HG2      LYS  61 -10.384  -7.566  22.884
  440    HG3  LYS  61           HG3      LYS  61 -10.937  -7.843  21.236
  441    HD2  LYS  61           HD2      LYS  61 -11.023  -9.952  22.201
  442    HD3  LYS  61           HD3      LYS  61  -9.581  -9.971  21.188
  443    HE2  LYS  61           HE2      LYS  61  -9.220 -11.125  23.301
  444    HE3  LYS  61           HE3      LYS  61  -8.142  -9.726  23.176
  445    HZ1  LYS  61           HZ1      LYS  61  -9.470  -8.568  24.760
  446    HZ2  LYS  61           HZ2      LYS  61 -10.733  -9.599  24.639
  447    HZ3  LYS  61           HZ3      LYS  61  -9.339 -10.075  25.376
  448    H    ARG  62           H        ARG  62  -6.903  -5.176  22.751
  449    HA   ARG  62           HA       ARG  62  -5.361  -3.917  20.508
  450    HB2  ARG  62           HB2      ARG  62  -5.894  -2.441  22.414
  451    HB3  ARG  62           HB3      ARG  62  -5.076  -3.550  23.523
  452    HG2  ARG  62           HG2      ARG  62  -2.922  -3.114  22.401
  453    HG3  ARG  62           HG3      ARG  62  -3.733  -2.154  21.157
  454    HD2  ARG  62           HD2      ARG  62  -2.675  -0.654  22.743
  455    HD3  ARG  62           HD3      ARG  62  -4.418  -0.499  22.874
  456    HE   ARG  62           HE       ARG  62  -4.361  -1.322  25.031
  457   HH11  ARG  62          HH11      ARG  62  -1.143  -1.915  23.648
  458   HH12  ARG  62          HH12      ARG  62  -0.484  -2.378  25.188
  459   HH21  ARG  62          HH21      ARG  62  -3.432  -1.943  26.966
  460   HH22  ARG  62          HH22      ARG  62  -1.756  -2.384  27.032
  461    H    GLU  63           H        GLU  63  -3.342  -4.668  19.994
  462    HA   GLU  63           HA       GLU  63  -1.951  -6.734  21.510
  463    HB2  GLU  63           HB2      GLU  63  -3.970  -7.892  20.545
  464    HB3  GLU  63           HB3      GLU  63  -3.418  -7.449  18.934
  465    HG2  GLU  63           HG2      GLU  63  -3.042  -9.805  19.595
  466    HG3  GLU  63           HG3      GLU  63  -1.579  -8.963  19.092
  467    H    ARG  64           H        ARG  64  -0.121  -7.644  20.190
  468    HA   ARG  64           HA       ARG  64   1.323  -5.458  18.848
  469    HB2  ARG  64           HB2      ARG  64   2.097  -8.307  19.571
  470    HB3  ARG  64           HB3      ARG  64   3.215  -7.106  18.925
  471    HG2  ARG  64           HG2      ARG  64   3.319  -5.875  20.868
  472    HG3  ARG  64           HG3      ARG  64   1.705  -6.318  21.418
  473    HD2  ARG  64           HD2      ARG  64   4.074  -8.229  21.377
  474    HD3  ARG  64           HD3      ARG  64   3.511  -7.331  22.801
  475    HE   ARG  64           HE       ARG  64   1.225  -8.611  21.868
  476   HH11  ARG  64          HH11      ARG  64   4.336  -9.907  22.999
  477   HH12  ARG  64          HH12      ARG  64   3.600 -11.429  23.415
  478   HH21  ARG  64          HH21      ARG  64   0.415 -10.411  22.330
  479   HH22  ARG  64          HH22      ARG  64   1.326 -11.748  23.023
  480    H    LEU  65           H        LEU  65   2.011  -5.454  16.706
  481    HA   LEU  65           HA       LEU  65   0.471  -6.752  14.688
  482    HB2  LEU  65           HB2      LEU  65   1.818  -4.671  14.346
  483    HB3  LEU  65           HB3      LEU  65   3.302  -5.606  14.526
  484    HG   LEU  65           HG       LEU  65   2.549  -6.993  12.500
  485   HD11  LEU  65          HD11      LEU  65   0.556  -4.702  12.180
  486   HD12  LEU  65          HD12      LEU  65   0.908  -5.954  10.971
  487   HD13  LEU  65          HD13      LEU  65   0.140  -6.401  12.498
  488   HD21  LEU  65          HD21      LEU  65   4.285  -5.259  12.363
  489   HD22  LEU  65          HD22      LEU  65   3.325  -5.360  10.877
  490   HD23  LEU  65          HD23      LEU  65   3.042  -4.035  12.027
  491    H    GLU  66           H        GLU  66   3.772  -7.609  15.884
  492    HA   GLU  66           HA       GLU  66   4.077  -9.910  14.314
  493    HB2  GLU  66           HB2      GLU  66   5.859 -10.550  15.811
  494    HB3  GLU  66           HB3      GLU  66   5.901  -8.814  15.511
  495    HG2  GLU  66           HG2      GLU  66   4.835  -8.415  17.733
  496    HG3  GLU  66           HG3      GLU  66   4.817 -10.152  18.030
  497    H    ASP  67           H        ASP  67   2.031  -9.633  17.189
  498    HA   ASP  67           HA       ASP  67   1.763 -12.563  17.481
  499    HB2  ASP  67           HB2      ASP  67   1.605 -11.100  19.453
  500    HB3  ASP  67           HB3      ASP  67   0.220 -10.274  18.747
  501    H    VAL  68           H        VAL  68  -0.198  -9.787  16.333
  502    HA   VAL  68           HA       VAL  68  -2.372 -11.339  15.340
  503    HB   VAL  68           HB       VAL  68  -1.463  -8.553  14.588
  504   HG11  VAL  68          HG11      VAL  68  -3.783  -8.189  13.754
  505   HG12  VAL  68          HG12      VAL  68  -2.885  -9.334  12.760
  506   HG13  VAL  68          HG13      VAL  68  -4.103  -9.931  13.917
  507   HG21  VAL  68          HG21      VAL  68  -2.085  -8.719  16.906
  508   HG22  VAL  68          HG22      VAL  68  -3.477  -7.995  16.083
  509   HG23  VAL  68          HG23      VAL  68  -3.518  -9.703  16.531
  510    H    VAL  69           H        VAL  69   0.665 -10.495  13.816
  511    HA   VAL  69           HA       VAL  69  -0.060 -11.744  11.251
  512    HB   VAL  69           HB       VAL  69   2.416 -10.350  12.307
  513   HG11  VAL  69          HG11      VAL  69   3.290 -11.895  10.679
  514   HG12  VAL  69          HG12      VAL  69   1.987 -11.505   9.531
  515   HG13  VAL  69          HG13      VAL  69   3.228 -10.297   9.947
  516   HG21  VAL  69          HG21      VAL  69   0.408  -8.932  11.867
  517   HG22  VAL  69          HG22      VAL  69   1.695  -8.584  10.699
  518   HG23  VAL  69          HG23      VAL  69   0.304  -9.586  10.227
  519    H    GLY  70           H        GLY  70   1.566 -12.788  14.220
  520    HA2  GLY  70           HA2      GLY  70   3.236 -14.815  13.198
  521    HA3  GLY  70           HA3      GLY  70   2.524 -14.795  14.819
  522    H    GLY  71           H        GLY  71   2.809 -16.597  12.104
  523    HA2  GLY  71           HA2      GLY  71   1.795 -18.550  11.365
  524    HA3  GLY  71           HA3      GLY  71   0.639 -18.434  12.707
  525    H    CYS  72           H        CYS  72   0.673 -15.584  10.824
  526    HA   CYS  72           HA       CYS  72  -1.870 -16.356   9.441
  527    HB2  CYS  72           HB2      CYS  72  -1.164 -13.717  10.817
  528    HB3  CYS  72           HB3      CYS  72  -2.703 -14.128  10.070
  529    HG   CYS  72           HG       CYS  72  -1.224 -15.656  12.638
  530    H    CYS  73           H        CYS  73  -2.475 -14.903   7.686
  531    HA   CYS  73           HA       CYS  73  -0.188 -13.598   6.238
  532    HB2  CYS  73           HB2      CYS  73  -2.707 -14.887   5.070
  533    HB3  CYS  73           HB3      CYS  73  -1.485 -13.994   4.152
  534    HG   CYS  73           HG       CYS  73  -1.175 -16.579   3.760
  535    H    TYR  74           H        TYR  74  -0.803 -11.602   5.034
  536    HA   TYR  74           HA       TYR  74  -3.238 -10.231   5.866
  537    HB2  TYR  74           HB2      TYR  74  -2.234  -8.495   7.161
  538    HB3  TYR  74           HB3      TYR  74  -1.819 -10.025   7.892
  539    HD1  TYR  74           HD2      TYR  74   0.538 -10.992   7.443
  540    HD2  TYR  74           HD1      TYR  74  -0.556  -6.914   6.549
  541    HE1  TYR  74           HE2      TYR  74   2.935 -10.327   7.515
  542    HE2  TYR  74           HE1      TYR  74   1.821  -6.230   6.733
  543    HH   TYR  74           HH       TYR  74   3.988  -6.931   7.100
  544    H    ARG  75           H        ARG  75  -3.347  -7.950   5.191
  545    HA   ARG  75           HA       ARG  75  -1.580  -6.935   3.075
  546    HB2  ARG  75           HB2      ARG  75  -2.922  -8.607   1.845
  547    HB3  ARG  75           HB3      ARG  75  -4.404  -7.951   2.505
  548    HG2  ARG  75           HG2      ARG  75  -4.129  -7.344   0.177
  549    HG3  ARG  75           HG3      ARG  75  -4.175  -5.917   1.194
  550    HD2  ARG  75           HD2      ARG  75  -2.493  -5.695  -0.591
  551    HD3  ARG  75           HD3      ARG  75  -1.737  -5.651   0.996
  552    HE   ARG  75           HE       ARG  75  -0.563  -7.539   0.533
  553   HH11  ARG  75          HH11      ARG  75  -3.111  -7.370  -1.936
  554   HH12  ARG  75          HH12      ARG  75  -2.432  -8.691  -2.841
  555   HH21  ARG  75          HH21      ARG  75   0.228  -9.227  -0.666
  556   HH22  ARG  75          HH22      ARG  75  -0.569  -9.732  -2.128
  557    H    VAL  76           H        VAL  76  -1.655  -4.672   3.144
  558    HA   VAL  76           HA       VAL  76  -3.648  -3.279   4.781
  559    HB   VAL  76           HB       VAL  76  -1.679  -2.122   2.777
  560   HG11  VAL  76          HG11      VAL  76  -2.109   0.050   3.925
  561   HG12  VAL  76          HG12      VAL  76  -3.571  -0.544   3.142
  562   HG13  VAL  76          HG13      VAL  76  -3.383  -0.711   4.898
  563   HG21  VAL  76          HG21      VAL  76  -0.404  -1.451   4.782
  564   HG22  VAL  76          HG22      VAL  76  -1.573  -2.291   5.824
  565   HG23  VAL  76          HG23      VAL  76  -0.555  -3.207   4.695
  566    H    ASN  77           H        ASN  77  -5.616  -2.575   4.181
  567    HA   ASN  77           HA       ASN  77  -6.397  -2.300   1.358
  568    HB2  ASN  77           HB2      ASN  77  -6.503  -4.755   1.752
  569    HB3  ASN  77           HB3      ASN  77  -7.610  -4.492   3.091
  570   HD21  ASN  77          HD22      ASN  77  -8.963  -6.048   1.672
  571   HD22  ASN  77          HD21      ASN  77  -9.948  -5.281   0.440
  572    H    ASN  78           H        ASN  78  -6.474  -0.145   2.442
  573    HA   ASN  78           HA       ASN  78  -8.712   0.342   4.278
  574    HB2  ASN  78           HB2      ASN  78  -6.495   1.431   4.623
  575    HB3  ASN  78           HB3      ASN  78  -6.751   2.356   3.142
  576   HD21  ASN  78          HD22      ASN  78  -6.419   3.912   5.265
  577   HD22  ASN  78          HD21      ASN  78  -7.978   4.537   5.850
  578    H    SER  79           H        SER  79 -10.057  -0.605   2.590
  579    HA   SER  79           HA       SER  79 -10.822   0.077   0.151
  580    HB2  SER  79           HB2      SER  79 -13.202  -0.393   0.832
  581    HB3  SER  79           HB3      SER  79 -12.000  -1.571   1.385
  582    HG   SER  79           HG       SER  79 -13.448  -1.023   3.028
  583    H    LEU  80           H        LEU  80 -12.504   1.922   2.712
  584    HA   LEU  80           HA       LEU  80 -13.640   3.749   0.834
  585    HB2  LEU  80           HB2      LEU  80 -13.301   4.098   3.837
  586    HB3  LEU  80           HB3      LEU  80 -14.390   5.018   2.802
  587    HG   LEU  80           HG       LEU  80 -14.578   2.040   3.405
  588   HD11  LEU  80          HD11      LEU  80 -16.416   4.350   4.147
  589   HD12  LEU  80          HD12      LEU  80 -16.621   2.639   4.593
  590   HD13  LEU  80          HD13      LEU  80 -15.260   3.572   5.238
  591   HD21  LEU  80          HD21      LEU  80 -16.343   3.734   1.592
  592   HD22  LEU  80          HD22      LEU  80 -15.334   2.357   1.105
  593   HD23  LEU  80          HD23      LEU  80 -16.728   2.098   2.155
  594    H    ASP  81           H        ASP  81 -10.598   4.008   2.563
  595    HA   ASP  81           HA       ASP  81 -10.049   6.769   1.763
  596    HB2  ASP  81           HB2      ASP  81  -9.034   5.476   3.690
  597    HB3  ASP  81           HB3      ASP  81  -8.113   4.550   2.502
  598    H    HIS  82           H        HIS  82  -9.300   3.557   0.381
  599    HA   HIS  82           HA       HIS  82  -7.913   4.602  -1.947
  600    HB2  HIS  82           HB2      HIS  82  -9.390   1.957  -1.621
  601    HB3  HIS  82           HB3      HIS  82  -8.189   2.348  -2.842
  602    HD1  HIS  82           HD1      HIS  82  -6.201   3.704  -0.380
  603    HD2  HIS  82           HD2      HIS  82  -7.850  -0.138  -0.860
  604    HE1  HIS  82           HE1      HIS  82  -4.725   2.125   0.957
  605    H    GLU  83           H        GLU  83 -11.349   4.010  -1.227
  606    HA   GLU  83           HA       GLU  83 -12.279   4.541  -3.900
  607    HB2  GLU  83           HB2      GLU  83 -13.704   4.427  -1.233
  608    HB3  GLU  83           HB3      GLU  83 -14.530   4.757  -2.749
  609    HG2  GLU  83           HG2      GLU  83 -12.893   2.229  -2.325
  610    HG3  GLU  83           HG3      GLU  83 -14.613   2.357  -1.986
  611    H    TYR  84           H        TYR  84 -11.859   6.637  -1.054
  612    HA   TYR  84           HA       TYR  84 -11.949   9.023  -2.749
  613    HB2  TYR  84           HB2      TYR  84 -13.867  10.078  -1.523
  614    HB3  TYR  84           HB3      TYR  84 -14.280   8.812  -2.662
  615    HD1  TYR  84           HD2      TYR  84 -15.225   6.687  -1.906
  616    HD2  TYR  84           HD1      TYR  84 -14.293   9.844   0.864
  617    HE1  TYR  84           HE2      TYR  84 -16.472   5.480  -0.138
  618    HE2  TYR  84           HE1      TYR  84 -15.531   8.643   2.651
  619    HH   TYR  84           HH       TYR  84 -17.132   5.494   2.043
  620    H    GLN  85           H        GLN  85 -12.070   8.121   0.778
  621    HA   GLN  85           HA       GLN  85 -11.921  10.877   1.368
  622    HB2  GLN  85           HB2      GLN  85 -11.770  10.266   3.740
  623    HB3  GLN  85           HB3      GLN  85 -13.077   9.467   2.886
  624    HG2  GLN  85           HG2      GLN  85 -11.725   7.397   2.804
  625    HG3  GLN  85           HG3      GLN  85 -10.417   8.197   3.695
  626   HE21  GLN  85          HE22      GLN  85 -13.766   6.990   3.842
  627   HE22  GLN  85          HE21      GLN  85 -13.856   6.934   5.600
  628    HA   PRO  86           HA       PRO  86  -7.554  11.755   1.904
  629    HB2  PRO  86           HB2      PRO  86  -7.637  14.095   3.302
  630    HB3  PRO  86           HB3      PRO  86  -8.116  13.970   1.579
  631    HG2  PRO  86           HG2      PRO  86  -9.908  13.997   4.019
  632    HG3  PRO  86           HG3      PRO  86 -10.106  14.897   2.489
  633    HD2  PRO  86           HD2      PRO  86 -11.414  12.541   2.998
  634    HD3  PRO  86           HD3      PRO  86 -10.892  13.008   1.355
  635    H    ARG  87           H        ARG  87  -9.674  11.837   4.763
  636    HA   ARG  87           HA       ARG  87  -9.590  11.009   6.767
  637    HB2  ARG  87           HB2      ARG  87  -8.838   9.127   5.291
  638    HB3  ARG  87           HB3      ARG  87  -7.198   9.371   5.917
  639    HG2  ARG  87           HG2      ARG  87  -7.974   8.935   8.186
  640    HG3  ARG  87           HG3      ARG  87  -9.659   8.930   7.646
  641    HD2  ARG  87           HD2      ARG  87  -9.403   6.723   7.657
  642    HD3  ARG  87           HD3      ARG  87  -8.793   6.972   6.027
  643    HE   ARG  87           HE       ARG  87  -7.324   6.126   8.432
  644   HH11  ARG  87          HH11      ARG  87  -6.705   7.311   5.088
  645   HH12  ARG  87          HH12      ARG  87  -5.015   6.956   5.269
  646   HH21  ARG  87          HH21      ARG  87  -5.176   5.689   8.442
  647   HH22  ARG  87          HH22      ARG  87  -4.211   5.939   7.011
  648    HA   PRO  88           HA       PRO  88  -6.452  13.353   9.149
  649    HB2  PRO  88           HB2      PRO  88  -7.850  13.713  11.437
  650    HB3  PRO  88           HB3      PRO  88  -8.259  14.582   9.933
  651    HG2  PRO  88           HG2      PRO  88  -9.554  12.050  11.004
  652    HG3  PRO  88           HG3      PRO  88 -10.360  13.549  10.446
  653    HD2  PRO  88           HD2      PRO  88 -10.016  11.361   8.847
  654    HD3  PRO  88           HD3      PRO  88  -9.944  13.032   8.199
  655    H    VAL  89           H        VAL  89  -5.003  11.619   9.134
  656    HA   VAL  89           HA       VAL  89  -5.233   9.109  10.175
  657    HB   VAL  89           HB       VAL  89  -2.754  10.838   9.960
  658   HG11  VAL  89          HG11      VAL  89  -2.138   8.962  11.444
  659   HG12  VAL  89          HG12      VAL  89  -2.892   7.815  10.314
  660   HG13  VAL  89          HG13      VAL  89  -1.437   8.704   9.847
  661   HG21  VAL  89          HG21      VAL  89  -3.953   8.717   8.114
  662   HG22  VAL  89          HG22      VAL  89  -3.943  10.469   7.825
  663   HG23  VAL  89          HG23      VAL  89  -2.425   9.574   7.835
  664    H    GLU  90           H        GLU  90  -4.095  11.901  12.132
  665    HA   GLU  90           HA       GLU  90  -3.408  10.345  14.456
  666    HB2  GLU  90           HB2      GLU  90  -4.270  13.271  14.337
  667    HB3  GLU  90           HB3      GLU  90  -3.406  12.476  15.655
  668    HG2  GLU  90           HG2      GLU  90  -1.521  11.996  14.045
  669    HG3  GLU  90           HG3      GLU  90  -2.367  12.987  12.848
  670    H    VAL  91           H        VAL  91  -6.424  11.853  13.385
  671    HA   VAL  91           HA       VAL  91  -7.856  11.367  15.879
  672    HB   VAL  91           HB       VAL  91  -8.895  12.102  13.126
  673   HG11  VAL  91          HG11      VAL  91 -10.747  11.203  14.437
  674   HG12  VAL  91          HG12      VAL  91 -10.281  12.197  15.836
  675   HG13  VAL  91          HG13      VAL  91 -10.906  12.956  14.357
  676   HG21  VAL  91          HG21      VAL  91  -8.247  13.860  15.530
  677   HG22  VAL  91          HG22      VAL  91  -7.352  13.824  14.001
  678   HG23  VAL  91          HG23      VAL  91  -9.013  14.414  14.020
  679    H    ILE  92           H        ILE  92  -7.364   9.572  12.834
  680    HA   ILE  92           HA       ILE  92  -9.262   7.442  13.447
  681    HB   ILE  92           HB       ILE  92  -6.699   7.195  11.825
  682   HG12  ILE  92          HG12      ILE  92  -7.690   8.911  10.638
  683   HG13  ILE  92          HG13      ILE  92  -8.307   7.481   9.858
  684   HG21  ILE  92          HG21      ILE  92  -9.305   5.639  11.652
  685   HG22  ILE  92          HG22      ILE  92  -7.845   5.373  10.693
  686   HG23  ILE  92          HG23      ILE  92  -7.815   5.052  12.422
  687   HD11  ILE  92          HD11      ILE  92 -10.087   9.058   9.985
  688   HD12  ILE  92          HD12      ILE  92 -10.462   7.760  11.139
  689   HD13  ILE  92          HD13      ILE  92  -9.848   9.323  11.713
  690    H    ILE  93           H        ILE  93  -5.721   7.750  14.088
  691    HA   ILE  93           HA       ILE  93  -5.528   5.313  15.626
  692    HB   ILE  93           HB       ILE  93  -3.894   7.891  15.631
  693   HG12  ILE  93          HG12      ILE  93  -3.325   5.120  14.463
  694   HG13  ILE  93          HG13      ILE  93  -3.926   6.493  13.536
  695   HG21  ILE  93          HG21      ILE  93  -2.130   6.594  16.856
  696   HG22  ILE  93          HG22      ILE  93  -3.565   6.870  17.808
  697   HG23  ILE  93          HG23      ILE  93  -3.298   5.268  17.070
  698   HD11  ILE  93          HD11      ILE  93  -1.207   6.311  14.874
  699   HD12  ILE  93          HD12      ILE  93  -1.564   6.304  13.151
  700   HD13  ILE  93          HD13      ILE  93  -1.876   7.779  14.091
  701    H    SER  94           H        SER  94  -6.433   8.607  16.596
  702    HA   SER  94           HA       SER  94  -6.663   8.021  19.403
  703    HB2  SER  94           HB2      SER  94  -8.156  10.118  17.773
  704    HB3  SER  94           HB3      SER  94  -7.972  10.088  19.531
  705    HG   SER  94           HG       SER  94  -5.946  10.465  17.552
  706    H    SER  95           H        SER  95  -9.004   7.840  16.712
  707    HA   SER  95           HA       SER  95 -11.302   7.100  18.253
  708    HB2  SER  95           HB2      SER  95 -10.542   6.666  15.344
  709    HB3  SER  95           HB3      SER  95 -12.136   6.263  16.024
  710    HG   SER  95           HG       SER  95 -10.901   8.803  15.767
  711    H    ALA  96           H        ALA  96  -8.766   5.131  16.616
  712    HA   ALA  96           HA       ALA  96  -9.852   2.572  17.269
  713    HB1  ALA  96           HB1      ALA  96  -8.064   3.146  15.589
  714    HB2  ALA  96           HB2      ALA  96  -6.942   3.417  16.930
  715    HB3  ALA  96           HB3      ALA  96  -7.627   1.794  16.650
  716    H    LYS  97           H        LYS  97  -7.516   4.640  19.078
  717    HA   LYS  97           HA       LYS  97  -7.441   2.893  21.397
  718    HB2  LYS  97           HB2      LYS  97  -6.668   5.801  21.002
  719    HB3  LYS  97           HB3      LYS  97  -6.380   4.879  22.494
  720    HG2  LYS  97           HG2      LYS  97  -5.081   3.181  21.176
  721    HG3  LYS  97           HG3      LYS  97  -5.217   4.214  19.753
  722    HD2  LYS  97           HD2      LYS  97  -3.852   4.914  22.386
  723    HD3  LYS  97           HD3      LYS  97  -3.056   4.513  20.857
  724    HE2  LYS  97           HE2      LYS  97  -4.149   6.521  19.809
  725    HE3  LYS  97           HE3      LYS  97  -4.823   6.950  21.388
  726    HZ1  LYS  97           HZ1      LYS  97  -2.549   7.141  22.242
  727    HZ2  LYS  97           HZ2      LYS  97  -1.911   6.757  20.787
  728    HZ3  LYS  97           HZ3      LYS  97  -2.749   8.146  20.970
  729    H    GLU  98           H        GLU  98  -9.944   5.073  20.383
  730    HA   GLU  98           HA       GLU  98 -11.194   5.019  23.043
  731    HB2  GLU  98           HB2      GLU  98 -12.058   6.190  20.385
  732    HB3  GLU  98           HB3      GLU  98 -13.129   6.079  21.784
  733    HG2  GLU  98           HG2      GLU  98 -11.538   7.374  23.151
  734    HG3  GLU  98           HG3      GLU  98 -10.463   7.544  21.763
  735    H    MET  99           H        MET  99 -11.578   3.452  19.874
  736    HA   MET  99           HA       MET  99 -13.824   1.790  20.571
  737    HB2  MET  99           HB2      MET  99 -11.743   1.710  18.358
  738    HB3  MET  99           HB3      MET  99 -12.980   0.466  18.504
  739    HG2  MET  99           HG2      MET  99 -13.557   3.438  18.259
  740    HG3  MET  99           HG3      MET  99 -13.590   2.295  16.921
  741    HE1  MET  99           HE1      MET  99 -16.724   0.111  17.611
  742    HE2  MET  99           HE2      MET  99 -15.272   0.367  16.618
  743    HE3  MET  99           HE3      MET  99 -15.132  -0.316  18.255
  744    H    VAL 100           H        VAL 100 -10.386   1.305  21.194
  745    HA   VAL 100           HA       VAL 100 -10.393  -1.415  21.737
  746    HB   VAL 100           HB       VAL 100  -8.452   0.122  22.035
  747   HG11  VAL 100          HG11      VAL 100  -7.957   1.263  24.025
  748   HG12  VAL 100          HG12      VAL 100  -9.631   1.716  23.632
  749   HG13  VAL 100          HG13      VAL 100  -9.306   0.526  24.907
  750   HG21  VAL 100          HG21      VAL 100  -8.932  -1.879  24.283
  751   HG22  VAL 100          HG22      VAL 100  -8.332  -2.249  22.651
  752   HG23  VAL 100          HG23      VAL 100  -7.359  -1.253  23.761
  753    H    GLY 101           H        GLY 101 -11.426  -2.777  22.920
  754    HA2  GLY 101           HA2      GLY 101 -12.503  -3.710  24.763
  755    HA3  GLY 101           HA3      GLY 101 -12.639  -2.111  25.527
  756    H    GLN 102           H        GLN 102 -13.900  -1.568  22.457
  757    HA   GLN 102           HA       GLN 102 -16.601  -1.654  23.371
  758    HB2  GLN 102           HB2      GLN 102 -15.220  -0.490  21.188
  759    HB3  GLN 102           HB3      GLN 102 -16.314  -1.630  20.432
  760    HG2  GLN 102           HG2      GLN 102 -17.002   0.561  22.433
  761    HG3  GLN 102           HG3      GLN 102 -17.203   0.671  20.677
  762   HE21  GLN 102          HE22      GLN 102 -18.882  -0.743  19.637
  763   HE22  GLN 102          HE21      GLN 102 -20.083  -1.548  20.642
  764    H    LYS 103           H        LYS 103 -18.293  -2.864  22.638
  765    HA   LYS 103           HA       LYS 103 -17.728  -5.607  21.584
  766    HB2  LYS 103           HB2      LYS 103 -19.480  -4.848  23.958
  767    HB3  LYS 103           HB3      LYS 103 -19.443  -6.451  23.217
  768    HG2  LYS 103           HG2      LYS 103 -17.055  -6.701  23.769
  769    HG3  LYS 103           HG3      LYS 103 -17.038  -5.085  24.497
  770    HD2  LYS 103           HD2      LYS 103 -18.729  -5.803  26.171
  771    HD3  LYS 103           HD3      LYS 103 -18.784  -7.405  25.425
  772    HE2  LYS 103           HE2      LYS 103 -17.390  -7.576  27.363
  773    HE3  LYS 103           HE3      LYS 103 -16.368  -7.734  25.935
  774    HZ1  LYS 103           HZ1      LYS 103 -16.652  -5.281  27.596
  775    HZ2  LYS 103           HZ2      LYS 103 -15.358  -6.283  27.562
  776    HZ3  LYS 103           HZ3      LYS 103 -15.716  -5.387  26.248
  777    H    MET 104           H        MET 104 -19.424  -6.658  20.487
  778    HA   MET 104           HA       MET 104 -21.837  -5.116  19.712
  779    HB2  MET 104           HB2      MET 104 -19.786  -6.035  17.656
  780    HB3  MET 104           HB3      MET 104 -21.414  -5.443  17.289
  781    HG2  MET 104           HG2      MET 104 -20.824  -3.282  18.422
  782    HG3  MET 104           HG3      MET 104 -19.160  -3.847  18.555
  783    HE1  MET 104           HE1      MET 104 -18.625  -5.359  15.826
  784    HE2  MET 104           HE2      MET 104 -18.006  -4.037  14.824
  785    HE3  MET 104           HE3      MET 104 -17.506  -4.169  16.529
  786    H    LYS 105           H        LYS 105 -23.426  -6.427  18.552
  787    HA   LYS 105           HA       LYS 105 -23.096  -9.378  18.805
  788    HB2  LYS 105           HB2      LYS 105 -23.703  -8.257  21.055
  789    HB3  LYS 105           HB3      LYS 105 -25.242  -7.816  20.329
  790    HG2  LYS 105           HG2      LYS 105 -25.482  -9.790  21.709
  791    HG3  LYS 105           HG3      LYS 105 -25.772 -10.246  20.027
  792    HD2  LYS 105           HD2      LYS 105 -23.528 -11.249  19.866
  793    HD3  LYS 105           HD3      LYS 105 -23.087 -10.544  21.430
  794    HE2  LYS 105           HE2      LYS 105 -23.459 -12.847  21.785
  795    HE3  LYS 105           HE3      LYS 105 -24.802 -11.981  22.543
  796    HZ1  LYS 105           HZ1      LYS 105 -26.174 -12.551  20.593
  797    HZ2  LYS 105           HZ2      LYS 105 -24.915 -13.354  19.905
  798    HZ3  LYS 105           HZ3      LYS 105 -25.582 -13.902  21.293
  799    H    TYR 106           H        TYR 106 -25.209  -6.706  17.743
  800    HA   TYR 106           HA       TYR 106 -27.322  -8.419  16.842
  801    HB2  TYR 106           HB2      TYR 106 -26.755  -5.512  16.165
  802    HB3  TYR 106           HB3      TYR 106 -28.296  -6.345  15.976
  803    HD1  TYR 106           HD1      TYR 106 -29.312  -7.447  18.139
  804    HD2  TYR 106           HD2      TYR 106 -26.333  -4.327  18.178
  805    HE1  TYR 106           HE1      TYR 106 -29.936  -6.892  20.479
  806    HE2  TYR 106           HE2      TYR 106 -26.955  -3.765  20.524
  807    HH   TYR 106           HH       TYR 106 -29.530  -5.529  22.283
  808    H    SER 107           H        SER 107 -24.504  -7.201  15.080
  809    HA   SER 107           HA       SER 107 -25.673  -7.871  12.446
  810    HB2  SER 107           HB2      SER 107 -23.425  -6.998  11.650
  811    HB3  SER 107           HB3      SER 107 -24.481  -5.849  12.483
  812    HG   SER 107           HG       SER 107 -22.605  -5.520  13.463
  813    H    ILE 108           H        ILE 108 -24.815  -9.382  10.971
  814    HA   ILE 108           HA       ILE 108 -23.527 -11.735  12.141
  815    HB   ILE 108           HB       ILE 108 -23.619 -12.629   9.769
  816   HG12  ILE 108          HG12      ILE 108 -25.235 -11.701   8.211
  817   HG13  ILE 108          HG13      ILE 108 -25.471 -10.271   9.203
  818   HG21  ILE 108          HG21      ILE 108 -26.220 -11.797  11.114
  819   HG22  ILE 108          HG22      ILE 108 -26.006 -13.134   9.963
  820   HG23  ILE 108          HG23      ILE 108 -25.216 -13.196  11.544
  821   HD11  ILE 108          HD11      ILE 108 -24.011  -9.949   7.181
  822   HD12  ILE 108          HD12      ILE 108 -23.244  -9.475   8.698
  823   HD13  ILE 108          HD13      ILE 108 -22.807 -11.024   7.916
  824    H    VAL 109           H        VAL 109 -21.557 -12.711  11.298
  825    HA   VAL 109           HA       VAL 109 -19.473 -11.097  11.973
  826    HB   VAL 109           HB       VAL 109 -17.857 -12.720  11.089
  827   HG11  VAL 109          HG11      VAL 109 -18.562 -14.656  12.363
  828   HG12  VAL 109          HG12      VAL 109 -19.005 -13.177  13.211
  829   HG13  VAL 109          HG13      VAL 109 -20.245 -14.107  12.346
  830   HG21  VAL 109          HG21      VAL 109 -18.607 -14.789   9.934
  831   HG22  VAL 109          HG22      VAL 109 -20.226 -14.093   9.742
  832   HG23  VAL 109          HG23      VAL 109 -18.818 -13.364   8.928
  833    H    SER 110           H        SER 110 -20.345 -11.592   8.512
  834    HA   SER 110           HA       SER 110 -18.111 -10.223   7.447
  835    HB2  SER 110           HB2      SER 110 -20.924 -10.340   6.285
  836    HB3  SER 110           HB3      SER 110 -19.413 -10.059   5.402
  837    HG   SER 110           HG       SER 110 -20.078 -12.240   5.244
  838    H    ARG 111           H        ARG 111 -21.328  -8.922   8.390
  839    HA   ARG 111           HA       ARG 111 -20.512  -6.205   7.701
  840    HB2  ARG 111           HB2      ARG 111 -22.902  -7.034   7.528
  841    HB3  ARG 111           HB3      ARG 111 -22.962  -7.048   9.290
  842    HG2  ARG 111           HG2      ARG 111 -23.944  -4.990   8.530
  843    HG3  ARG 111           HG3      ARG 111 -22.393  -4.567   9.265
  844    HD2  ARG 111           HD2      ARG 111 -21.356  -4.403   7.041
  845    HD3  ARG 111           HD3      ARG 111 -22.863  -4.914   6.264
  846    HE   ARG 111           HE       ARG 111 -23.611  -2.716   7.725
  847   HH11  ARG 111          HH11      ARG 111 -21.098  -3.211   5.240
  848   HH12  ARG 111          HH12      ARG 111 -21.251  -1.573   4.666
  849   HH21  ARG 111          HH21      ARG 111 -23.697  -0.608   6.939
  850   HH22  ARG 111          HH22      ARG 111 -22.677  -0.126   5.623
  851    H    ASN 112           H        ASN 112 -20.632  -8.161  10.644
  852    HA   ASN 112           HA       ASN 112 -20.147  -6.137  12.554
  853    HB2  ASN 112           HB2      ASN 112 -20.657  -8.657  12.827
  854    HB3  ASN 112           HB3      ASN 112 -18.916  -8.920  12.654
  855   HD21  ASN 112          HD22      ASN 112 -21.478  -7.465  14.632
  856   HD22  ASN 112          HD21      ASN 112 -20.500  -7.354  16.094
  857    H    CYS 113           H        CYS 113 -17.797  -7.923  10.536
  858    HA   CYS 113           HA       CYS 113 -15.409  -6.543  11.275
  859    HB2  CYS 113           HB2      CYS 113 -16.336  -8.104   8.811
  860    HB3  CYS 113           HB3      CYS 113 -14.723  -7.405   8.909
  861    HG   CYS 113           HG       CYS 113 -14.314  -9.810   9.555
  862    H    GLU 114           H        GLU 114 -17.546  -5.855   8.421
  863    HA   GLU 114           HA       GLU 114 -16.110  -3.528   7.628
  864    HB2  GLU 114           HB2      GLU 114 -19.064  -4.225   7.288
  865    HB3  GLU 114           HB3      GLU 114 -18.268  -2.887   6.453
  866    HG2  GLU 114           HG2      GLU 114 -16.740  -4.465   5.335
  867    HG3  GLU 114           HG3      GLU 114 -17.550  -5.823   6.115
  868    H    HIS 115           H        HIS 115 -18.988  -3.771   9.781
  869    HA   HIS 115           HA       HIS 115 -19.315  -0.984  10.226
  870    HB2  HIS 115           HB2      HIS 115 -20.992  -2.764  10.665
  871    HB3  HIS 115           HB3      HIS 115 -20.029  -3.326  12.033
  872    HD1  HIS 115           HD1      HIS 115 -21.132   0.351  11.197
  873    HD2  HIS 115           HD2      HIS 115 -21.554  -2.710  14.056
  874    HE1  HIS 115           HE1      HIS 115 -22.453   1.348  13.118
  875    H    PHE 116           H        PHE 116 -17.230  -3.410  11.889
  876    HA   PHE 116           HA       PHE 116 -16.183  -1.651  13.899
  877    HB2  PHE 116           HB2      PHE 116 -15.818  -3.941  14.209
  878    HB3  PHE 116           HB3      PHE 116 -15.232  -4.194  12.585
  879    HD1  PHE 116           HD1      PHE 116 -14.322  -2.190  15.649
  880    HD2  PHE 116           HD2      PHE 116 -12.949  -4.475  12.264
  881    HE1  PHE 116           HE1      PHE 116 -11.991  -1.995  16.459
  882    HE2  PHE 116           HE2      PHE 116 -10.615  -4.317  13.110
  883    HZ   PHE 116           HZ       PHE 116 -10.141  -3.119  15.230
  884    H    VAL 117           H        VAL 117 -14.720  -2.449  10.636
  885    HA   VAL 117           HA       VAL 117 -12.785  -0.332  11.044
  886    HB   VAL 117           HB       VAL 117 -12.292  -0.450   8.571
  887   HG11  VAL 117          HG11      VAL 117 -11.086  -2.601   8.885
  888   HG12  VAL 117          HG12      VAL 117 -10.885  -1.479  10.224
  889   HG13  VAL 117          HG13      VAL 117 -11.995  -2.856  10.389
  890   HG21  VAL 117          HG21      VAL 117 -13.024  -2.337   7.295
  891   HG22  VAL 117          HG22      VAL 117 -14.008  -2.944   8.634
  892   HG23  VAL 117          HG23      VAL 117 -14.452  -1.430   7.814
  893    H    THR 118           H        THR 118 -16.050  -0.091   9.874
  894    HA   THR 118           HA       THR 118 -15.718   2.660   8.856
  895    HB   THR 118           HB       THR 118 -18.306   1.464   9.878
  896    HG1  THR 118           HG1      THR 118 -17.417   0.037   8.320
  897   HG21  THR 118          HG21      THR 118 -18.343   3.875   9.320
  898   HG22  THR 118          HG22      THR 118 -17.667   3.520   7.712
  899   HG23  THR 118          HG23      THR 118 -19.282   2.931   8.154
  900    H    GLN 119           H        GLN 119 -16.553   1.253  12.069
  901    HA   GLN 119           HA       GLN 119 -16.757   3.873  13.339
  902    HB2  GLN 119           HB2      GLN 119 -16.404   1.042  14.368
  903    HB3  GLN 119           HB3      GLN 119 -16.437   2.446  15.440
  904    HG2  GLN 119           HG2      GLN 119 -18.667   3.038  14.847
  905    HG3  GLN 119           HG3      GLN 119 -18.691   1.924  13.476
  906   HE21  GLN 119          HE22      GLN 119 -18.509  -0.402  13.948
  907   HE22  GLN 119          HE21      GLN 119 -19.250  -1.006  15.437
  908    H    LEU 120           H        LEU 120 -13.975   1.705  12.701
  909    HA   LEU 120           HA       LEU 120 -12.086   3.229  14.270
  910    HB2  LEU 120           HB2      LEU 120 -11.763   1.491  11.788
  911    HB3  LEU 120           HB3      LEU 120 -10.413   2.213  12.644
  912    HG   LEU 120           HG       LEU 120 -12.341   0.254  13.964
  913   HD11  LEU 120          HD11      LEU 120 -11.297  -1.167  12.505
  914   HD12  LEU 120          HD12      LEU 120  -9.888  -0.114  12.274
  915   HD13  LEU 120          HD13      LEU 120 -10.018  -1.116  13.725
  916   HD21  LEU 120          HD21      LEU 120 -11.218   1.717  15.584
  917   HD22  LEU 120          HD22      LEU 120 -10.564   0.084  15.672
  918   HD23  LEU 120          HD23      LEU 120  -9.642   1.353  14.843
  919    H    ARG 121           H        ARG 121 -13.018   3.496  10.821
  920    HA   ARG 121           HA       ARG 121 -11.566   6.016  10.373
  921    HB2  ARG 121           HB2      ARG 121 -13.722   4.682   8.711
  922    HB3  ARG 121           HB3      ARG 121 -12.781   6.126   8.267
  923    HG2  ARG 121           HG2      ARG 121 -10.696   4.825   8.372
  924    HG3  ARG 121           HG3      ARG 121 -11.573   3.372   8.838
  925    HD2  ARG 121           HD2      ARG 121 -12.066   4.819   6.204
  926    HD3  ARG 121           HD3      ARG 121 -10.863   3.551   6.435
  927    HE   ARG 121           HE       ARG 121 -13.722   3.063   7.105
  928   HH11  ARG 121          HH11      ARG 121 -10.995   2.070   5.051
  929   HH12  ARG 121          HH12      ARG 121 -11.835   0.613   4.539
  930   HH21  ARG 121          HH21      ARG 121 -14.681   1.143   6.438
  931   HH22  ARG 121          HH22      ARG 121 -13.851   0.116   5.317
  932    H    TYR 122           H        TYR 122 -14.980   5.836   9.721
  933    HA   TYR 122           HA       TYR 122 -16.823   6.845  10.359
  934    HB2  TYR 122           HB2      TYR 122 -15.835   5.888  12.593
  935    HB3  TYR 122           HB3      TYR 122 -15.594   7.565  13.029
  936    HD1  TYR 122           HD1      TYR 122 -18.175   5.064  11.924
  937    HD2  TYR 122           HD2      TYR 122 -17.436   8.816  13.928
  938    HE1  TYR 122           HE1      TYR 122 -20.540   5.122  12.697
  939    HE2  TYR 122           HE2      TYR 122 -19.794   8.869  14.701
  940    HH   TYR 122           HH       TYR 122 -21.829   7.798  14.695
  941    H    GLY 123           H        GLY 123 -14.033   8.532  10.084
  942    HA2  GLY 123           HA2      GLY 123 -14.720  11.228  11.011
  943    HA3  GLY 123           HA3      GLY 123 -13.206  10.678  10.233
  944    H    LYS 124           H        LYS 124 -13.343  10.151   7.933
  945    HA   LYS 124           HA       LYS 124 -14.929  12.230   6.464
  946    HB2  LYS 124           HB2      LYS 124 -12.319  10.787   5.871
  947    HB3  LYS 124           HB3      LYS 124 -13.119  11.881   4.730
  948    HG2  LYS 124           HG2      LYS 124 -12.142  12.697   7.495
  949    HG3  LYS 124           HG3      LYS 124 -11.251  12.934   5.988
  950    HD2  LYS 124           HD2      LYS 124 -13.132  14.354   5.134
  951    HD3  LYS 124           HD3      LYS 124 -13.944  14.178   6.709
  952    HE2  LYS 124           HE2      LYS 124 -11.971  15.187   7.839
  953    HE3  LYS 124           HE3      LYS 124 -11.169  15.377   6.272
  954    HZ1  LYS 124           HZ1      LYS 124 -12.984  16.865   5.602
  955    HZ2  LYS 124           HZ2      LYS 124 -13.721  16.691   7.049
  956    HZ3  LYS 124           HZ3      LYS 124 -12.267  17.427   6.957
  957    H    SER 125           H        SER 125 -15.294   9.055   7.138
  958    HA   SER 125           HA       SER 125 -16.200   7.893   4.653
  959    HB2  SER 125           HB2      SER 125 -17.099   7.328   7.499
  960    HB3  SER 125           HB3      SER 125 -17.375   6.312   6.069
  961    HG   SER 125           HG       SER 125 -15.569   5.529   7.061
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  18.981  -3.534  -6.988
    2    H2   MET   1           H2       MET   1  19.583  -4.518  -5.827
    3    H3   MET   1           H3       MET   1  18.453  -5.081  -6.867
    4    HA   MET   1           HA       MET   1  18.079  -2.977  -4.845
    5    HB2  MET   1           HB2      MET   1  15.777  -2.808  -5.400
    6    HB3  MET   1           HB3      MET   1  16.697  -2.562  -6.872
    7    HG2  MET   1           HG2      MET   1  15.258  -5.144  -6.118
    8    HG3  MET   1           HG3      MET   1  14.606  -3.885  -7.144
    9    HE1  MET   1           HE1      MET   1  14.641  -6.931  -7.945
   10    HE2  MET   1           HE2      MET   1  13.977  -5.644  -8.974
   11    HE3  MET   1           HE3      MET   1  15.126  -6.816  -9.654
   12    H    ALA   2           H        ALA   2  16.391  -3.543  -3.182
   13    HA   ALA   2           HA       ALA   2  17.013  -6.116  -1.961
   14    HB1  ALA   2           HB1      ALA   2  15.596  -5.248  -0.138
   15    HB2  ALA   2           HB2      ALA   2  16.766  -4.024  -0.658
   16    HB3  ALA   2           HB3      ALA   2  15.065  -3.901  -1.164
   17    H    SER   3           H        SER   3  15.332  -7.594  -1.137
   18    HA   SER   3           HA       SER   3  13.639  -8.586  -3.212
   19    HB2  SER   3           HB2      SER   3  13.667  -9.277  -0.252
   20    HB3  SER   3           HB3      SER   3  12.907 -10.228  -1.541
   21    HG   SER   3           HG       SER   3  15.010 -11.003  -0.985
   22    HA   PRO   4           HA       PRO   4   9.668  -6.591  -2.490
   23    HB2  PRO   4           HB2      PRO   4   8.514  -9.366  -2.716
   24    HB3  PRO   4           HB3      PRO   4   7.989  -7.854  -3.523
   25    HG2  PRO   4           HG2      PRO   4   9.438  -9.691  -4.883
   26    HG3  PRO   4           HG3      PRO   4   9.825  -7.947  -5.049
   27    HD2  PRO   4           HD2      PRO   4  11.201 -10.021  -3.321
   28    HD3  PRO   4           HD3      PRO   4  11.908  -8.771  -4.391
   29    H    HIS   5           H        HIS   5   8.076  -6.302  -0.872
   30    HA   HIS   5           HA       HIS   5   7.748  -8.062   1.407
   31    HB2  HIS   5           HB2      HIS   5  10.012  -7.028   1.822
   32    HB3  HIS   5           HB3      HIS   5   9.267  -5.438   1.781
   33    HD1  HIS   5           HD1      HIS   5   8.651  -4.585   4.169
   34    HD2  HIS   5           HD2      HIS   5   8.792  -8.776   3.807
   35    HE1  HIS   5           HE1      HIS   5   8.168  -5.522   6.497
   36    H    GLN   6           H        GLN   6   6.247  -7.037   3.061
   37    HA   GLN   6           HA       GLN   6   4.536  -4.846   1.970
   38    HB2  GLN   6           HB2      GLN   6   3.630  -7.012   1.197
   39    HB3  GLN   6           HB3      GLN   6   3.571  -7.603   2.863
   40    HG2  GLN   6           HG2      GLN   6   1.898  -5.862   3.427
   41    HG3  GLN   6           HG3      GLN   6   2.061  -5.162   1.813
   42   HE21  GLN   6          HE22      GLN   6   1.128  -8.314   3.436
   43   HE22  GLN   6          HE21      GLN   6  -0.122  -8.642   2.244
   44    H    GLU   7           H        GLU   7   4.987  -3.348   3.542
   45    HA   GLU   7           HA       GLU   7   4.843  -4.192   6.406
   46    HB2  GLU   7           HB2      GLU   7   7.056  -3.364   5.595
   47    HB3  GLU   7           HB3      GLU   7   6.306  -1.789   5.281
   48    HG2  GLU   7           HG2      GLU   7   5.667  -1.642   7.695
   49    HG3  GLU   7           HG3      GLU   7   6.444  -3.205   7.981
   50    HA   PRO   8           HA       PRO   8   1.379  -1.168   6.356
   51    HB2  PRO   8           HB2      PRO   8   0.195  -1.926   8.683
   52    HB3  PRO   8           HB3      PRO   8   0.020  -2.857   7.161
   53    HG2  PRO   8           HG2      PRO   8   1.915  -3.422   9.450
   54    HG3  PRO   8           HG3      PRO   8   0.850  -4.565   8.574
   55    HD2  PRO   8           HD2      PRO   8   3.508  -4.222   8.022
   56    HD3  PRO   8           HD3      PRO   8   2.318  -4.668   6.759
   57    H    LYS   9           H        LYS   9   1.078   0.755   7.503
   58    HA   LYS   9           HA       LYS   9   3.213   1.522   9.454
   59    HB2  LYS   9           HB2      LYS   9   1.800   2.923   7.177
   60    HB3  LYS   9           HB3      LYS   9   2.256   3.888   8.557
   61    HG2  LYS   9           HG2      LYS   9   3.923   3.946   6.772
   62    HG3  LYS   9           HG3      LYS   9   4.589   3.370   8.297
   63    HD2  LYS   9           HD2      LYS   9   4.716   1.111   7.534
   64    HD3  LYS   9           HD3      LYS   9   3.685   1.438   6.126
   65    HE2  LYS   9           HE2      LYS   9   5.376   2.960   5.179
   66    HE3  LYS   9           HE3      LYS   9   6.407   2.760   6.599
   67    HZ1  LYS   9           HZ1      LYS   9   7.045   1.380   4.652
   68    HZ2  LYS   9           HZ2      LYS   9   6.807   0.506   6.014
   69    HZ3  LYS   9           HZ3      LYS   9   5.659   0.512   4.814
   70    HA   PRO  10           HA       PRO  10   0.231   2.247  12.508
   71    HB2  PRO  10           HB2      PRO  10   0.960   4.575  13.800
   72    HB3  PRO  10           HB3      PRO  10   1.845   3.022  13.964
   73    HG2  PRO  10           HG2      PRO  10   2.480   5.320  12.093
   74    HG3  PRO  10           HG3      PRO  10   3.597   4.424  13.173
   75    HD2  PRO  10           HD2      PRO  10   3.404   3.808  10.549
   76    HD3  PRO  10           HD3      PRO  10   3.566   2.507  11.769
   77    H    GLY  11           H        GLY  11  -1.777   2.940  12.680
   78    HA2  GLY  11           HA2      GLY  11  -3.656   4.337  12.358
   79    HA3  GLY  11           HA3      GLY  11  -2.712   5.365  11.241
   80    H    ASP  12           H        ASP  12  -1.931   2.488  10.025
   81    HA   ASP  12           HA       ASP  12  -4.121   2.547   8.055
   82    HB2  ASP  12           HB2      ASP  12  -1.629   0.814   8.212
   83    HB3  ASP  12           HB3      ASP  12  -2.854   0.696   6.970
   84    H    LEU  13           H        LEU  13  -5.545   0.992   7.633
   85    HA   LEU  13           HA       LEU  13  -5.862  -1.185   9.629
   86    HB2  LEU  13           HB2      LEU  13  -8.166  -1.220   9.344
   87    HB3  LEU  13           HB3      LEU  13  -7.721   0.457   9.558
   88    HG   LEU  13           HG       LEU  13  -7.748   0.400   6.845
   89   HD11  LEU  13          HD11      LEU  13  -8.396  -2.012   6.794
   90   HD12  LEU  13          HD12      LEU  13  -9.853  -1.634   7.725
   91   HD13  LEU  13          HD13      LEU  13  -9.652  -0.981   6.084
   92   HD21  LEU  13          HD21      LEU  13 -10.080   0.768   8.755
   93   HD22  LEU  13          HD22      LEU  13  -8.975   2.001   8.128
   94   HD23  LEU  13          HD23      LEU  13 -10.132   1.224   7.032
   95    H    ILE  14           H        ILE  14  -5.570  -3.090   9.010
   96    HA   ILE  14           HA       ILE  14  -4.631  -3.670   6.249
   97    HB   ILE  14           HB       ILE  14  -4.203  -5.238   8.826
   98   HG12  ILE  14          HG12      ILE  14  -2.159  -3.230   7.811
   99   HG13  ILE  14          HG13      ILE  14  -3.309  -2.794   9.055
  100   HG21  ILE  14          HG21      ILE  14  -2.299  -6.214   7.640
  101   HG22  ILE  14          HG22      ILE  14  -3.723  -6.321   6.608
  102   HG23  ILE  14          HG23      ILE  14  -2.503  -5.069   6.293
  103   HD11  ILE  14          HD11      ILE  14  -1.318  -5.055   9.326
  104   HD12  ILE  14          HD12      ILE  14  -1.264  -3.466  10.117
  105   HD13  ILE  14          HD13      ILE  14  -2.555  -4.602  10.518
  106    H    GLU  15           H        GLU  15  -5.848  -5.123   5.044
  107    HA   GLU  15           HA       GLU  15  -8.226  -6.417   6.228
  108    HB2  GLU  15           HB2      GLU  15  -8.127  -5.472   3.851
  109    HB3  GLU  15           HB3      GLU  15  -7.046  -6.803   3.457
  110    HG2  GLU  15           HG2      GLU  15  -8.800  -8.424   4.172
  111    HG3  GLU  15           HG3      GLU  15  -9.882  -7.079   4.561
  112    H    ILE  16           H        ILE  16  -8.238  -8.436   6.984
  113    HA   ILE  16           HA       ILE  16  -5.765 -10.129   6.766
  114    HB   ILE  16           HB       ILE  16  -7.744  -9.912   9.079
  115   HG12  ILE  16          HG12      ILE  16  -6.440  -7.889   9.100
  116   HG13  ILE  16          HG13      ILE  16  -5.936  -8.931  10.410
  117   HG21  ILE  16          HG21      ILE  16  -6.810 -12.160   8.921
  118   HG22  ILE  16          HG22      ILE  16  -5.163 -11.504   8.790
  119   HG23  ILE  16          HG23      ILE  16  -6.088 -11.325  10.298
  120   HD11  ILE  16          HD11      ILE  16  -4.422  -8.479   7.804
  121   HD12  ILE  16          HD12      ILE  16  -4.003  -7.849   9.402
  122   HD13  ILE  16          HD13      ILE  16  -3.902  -9.590   9.091
  123    H    PHE  17           H        PHE  17  -6.099 -11.907   5.621
  124    HA   PHE  17           HA       PHE  17  -8.795 -13.046   5.237
  125    HB2  PHE  17           HB2      PHE  17  -7.186 -12.958   3.367
  126    HB3  PHE  17           HB3      PHE  17  -6.038 -13.902   4.294
  127    HD1  PHE  17           HD1      PHE  17  -9.645 -14.106   3.167
  128    HD2  PHE  17           HD2      PHE  17  -5.953 -16.224   3.881
  129    HE1  PHE  17           HE1      PHE  17 -10.665 -16.183   2.276
  130    HE2  PHE  17           HE2      PHE  17  -6.977 -18.301   2.995
  131    HZ   PHE  17           HZ       PHE  17  -9.328 -18.286   2.186
  132    H    ARG  18           H        ARG  18  -9.395 -13.620   7.318
  133    HA   ARG  18           HA       ARG  18  -7.753 -15.423   8.928
  134    HB2  ARG  18           HB2      ARG  18  -8.954 -13.582   9.947
  135    HB3  ARG  18           HB3      ARG  18 -10.485 -14.236   9.378
  136    HG2  ARG  18           HG2      ARG  18  -9.875 -14.515  11.853
  137    HG3  ARG  18           HG3      ARG  18 -10.564 -15.874  10.998
  138    HD2  ARG  18           HD2      ARG  18  -8.172 -16.785  10.701
  139    HD3  ARG  18           HD3      ARG  18  -7.633 -15.460  11.733
  140    HE   ARG  18           HE       ARG  18  -8.343 -16.654  13.558
  141   HH11  ARG  18          HH11      ARG  18 -10.115 -18.031  10.782
  142   HH12  ARG  18          HH12      ARG  18 -10.846 -19.260  11.788
  143   HH21  ARG  18          HH21      ARG  18  -9.357 -18.258  14.744
  144   HH22  ARG  18          HH22      ARG  18 -10.539 -19.301  13.996
  145    H    LEU  19           H        LEU  19  -8.604 -16.338   6.342
  146    HA   LEU  19           HA       LEU  19  -8.509 -18.418   5.508
  147    HB2  LEU  19           HB2      LEU  19  -8.909 -19.490   8.323
  148    HB3  LEU  19           HB3      LEU  19  -8.174 -20.307   6.954
  149    HG   LEU  19           HG       LEU  19  -7.032 -17.844   8.368
  150   HD11  LEU  19          HD11      LEU  19  -5.344 -19.414   9.234
  151   HD12  LEU  19          HD12      LEU  19  -6.968 -19.895   9.746
  152   HD13  LEU  19          HD13      LEU  19  -6.158 -20.765   8.423
  153   HD21  LEU  19          HD21      LEU  19  -4.973 -18.316   7.050
  154   HD22  LEU  19          HD22      LEU  19  -5.837 -19.572   6.150
  155   HD23  LEU  19          HD23      LEU  19  -6.323 -17.867   6.007
  156    H    GLY  20           H        GLY  20 -10.402 -17.783   4.416
  157    HA2  GLY  20           HA2      GLY  20 -12.449 -18.463   3.472
  158    HA3  GLY  20           HA3      GLY  20 -12.812 -19.445   4.920
  159    H    TYR  21           H        TYR  21 -11.742 -16.477   5.972
  160    HA   TYR  21           HA       TYR  21 -14.392 -15.123   5.974
  161    HB2  TYR  21           HB2      TYR  21 -12.663 -15.567   8.440
  162    HB3  TYR  21           HB3      TYR  21 -14.222 -14.759   8.375
  163    HD1  TYR  21           HD2      TYR  21 -16.246 -16.242   7.449
  164    HD2  TYR  21           HD1      TYR  21 -12.585 -17.827   9.087
  165    HE1  TYR  21           HE2      TYR  21 -17.391 -18.398   7.911
  166    HE2  TYR  21           HE1      TYR  21 -13.712 -19.994   9.522
  167    HH   TYR  21           HH       TYR  21 -15.666 -21.187   9.364
  168    H    GLU  22           H        GLU  22 -14.249 -12.881   5.923
  169    HA   GLU  22           HA       GLU  22 -11.528 -11.709   5.592
  170    HB2  GLU  22           HB2      GLU  22 -14.292 -10.650   4.860
  171    HB3  GLU  22           HB3      GLU  22 -12.785  -9.753   4.698
  172    HG2  GLU  22           HG2      GLU  22 -13.280 -10.618   2.550
  173    HG3  GLU  22           HG3      GLU  22 -11.890 -11.507   3.172
  174    H    HIS  23           H        HIS  23 -10.620 -10.651   7.207
  175    HA   HIS  23           HA       HIS  23 -12.266  -9.236   9.259
  176    HB2  HIS  23           HB2      HIS  23  -9.942 -11.182   9.587
  177    HB3  HIS  23           HB3      HIS  23 -10.338 -10.002  10.833
  178    HD1  HIS  23           HD1      HIS  23 -12.278 -10.611  12.469
  179    HD2  HIS  23           HD2      HIS  23 -12.140 -12.932   8.962
  180    HE1  HIS  23           HE1      HIS  23 -14.243 -12.206  12.583
  181    H    TRP  24           H        TRP  24 -10.630  -7.788  10.621
  182    HA   TRP  24           HA       TRP  24  -8.627  -6.537   8.829
  183    HB2  TRP  24           HB2      TRP  24 -10.561  -4.921  10.484
  184    HB3  TRP  24           HB3      TRP  24  -9.382  -4.326   9.321
  185    HD1  TRP  24           HD1      TRP  24 -12.873  -5.504   9.688
  186    HE1  TRP  24           HE1      TRP  24 -14.177  -5.293   7.462
  187    HE3  TRP  24           HE3      TRP  24  -9.003  -4.269   6.619
  188    HZ2  TRP  24           HZ2      TRP  24 -13.613  -4.520   4.748
  189    HZ3  TRP  24           HZ3      TRP  24  -9.422  -3.681   4.248
  190    HH2  TRP  24           HH2      TRP  24 -11.707  -3.817   3.291
  191    H    ALA  25           H        ALA  25  -7.008  -5.331   9.889
  192    HA   ALA  25           HA       ALA  25  -7.024  -5.258  12.861
  193    HB1  ALA  25           HB1      ALA  25  -4.671  -6.007  12.908
  194    HB2  ALA  25           HB2      ALA  25  -5.691  -7.237  12.149
  195    HB3  ALA  25           HB3      ALA  25  -4.668  -6.179  11.144
  196    H    LEU  26           H        LEU  26  -6.565  -3.275  13.628
  197    HA   LEU  26           HA       LEU  26  -5.556  -1.128  11.830
  198    HB2  LEU  26           HB2      LEU  26  -7.660  -0.983  13.318
  199    HB3  LEU  26           HB3      LEU  26  -6.592  -0.968  14.699
  200    HG   LEU  26           HG       LEU  26  -7.282   1.238  14.287
  201   HD11  LEU  26          HD11      LEU  26  -5.327   2.543  14.033
  202   HD12  LEU  26          HD12      LEU  26  -4.840   1.034  14.829
  203   HD13  LEU  26          HD13      LEU  26  -4.503   1.291  13.097
  204   HD21  LEU  26          HD21      LEU  26  -7.046   2.423  12.146
  205   HD22  LEU  26          HD22      LEU  26  -6.314   0.992  11.409
  206   HD23  LEU  26          HD23      LEU  26  -8.015   0.952  11.942
  207    H    TYR  27           H        TYR  27  -3.356  -0.733  11.895
  208    HA   TYR  27           HA       TYR  27  -1.572  -1.795  13.930
  209    HB2  TYR  27           HB2      TYR  27  -1.172  -1.385  11.462
  210    HB3  TYR  27           HB3      TYR  27  -1.097   0.320  11.809
  211    HD1  TYR  27           HD2      TYR  27   0.737   0.789  13.967
  212    HD2  TYR  27           HD1      TYR  27   0.815  -2.403  11.074
  213    HE1  TYR  27           HE2      TYR  27   3.205   0.772  14.057
  214    HE2  TYR  27           HE1      TYR  27   3.300  -2.459  11.208
  215    HH   TYR  27           HH       TYR  27   5.173  -1.494  12.099
  216    H    ILE  28           H        ILE  28  -1.537  -1.022  15.964
  217    HA   ILE  28           HA       ILE  28  -2.098   1.882  16.453
  218    HB   ILE  28           HB       ILE  28  -2.344   1.216  18.836
  219   HG12  ILE  28          HG12      ILE  28  -2.611  -1.660  17.916
  220   HG13  ILE  28          HG13      ILE  28  -1.062  -1.036  18.483
  221   HG21  ILE  28          HG21      ILE  28  -4.613   0.522  18.555
  222   HG22  ILE  28          HG22      ILE  28  -4.220   1.610  17.235
  223   HG23  ILE  28          HG23      ILE  28  -4.284  -0.138  16.928
  224   HD11  ILE  28          HD11      ILE  28  -1.957  -0.465  20.650
  225   HD12  ILE  28          HD12      ILE  28  -3.599  -0.895  20.146
  226   HD13  ILE  28          HD13      ILE  28  -2.357  -2.154  20.281
  227    H    GLY  29           H        GLY  29   0.626  -0.270  16.564
  228    HA2  GLY  29           HA2      GLY  29   2.419   1.871  17.314
  229    HA3  GLY  29           HA3      GLY  29   2.207   0.706  18.625
  230    H    ASP  30           H        ASP  30   4.693   0.882  17.595
  231    HA   ASP  30           HA       ASP  30   5.274  -0.370  15.191
  232    HB2  ASP  30           HB2      ASP  30   6.842   1.040  16.379
  233    HB3  ASP  30           HB3      ASP  30   6.962  -0.118  17.702
  234    H    GLY  31           H        GLY  31   4.278  -2.253  14.750
  235    HA2  GLY  31           HA2      GLY  31   4.241  -4.546  14.464
  236    HA3  GLY  31           HA3      GLY  31   5.338  -4.764  15.858
  237    H    TYR  32           H        TYR  32   2.453  -2.864  16.405
  238    HA   TYR  32           HA       TYR  32   1.038  -5.219  17.608
  239    HB2  TYR  32           HB2      TYR  32   1.488  -2.457  18.780
  240    HB3  TYR  32           HB3      TYR  32   0.266  -3.573  19.373
  241    HD1  TYR  32           HD1      TYR  32   0.897  -5.774  20.371
  242    HD2  TYR  32           HD2      TYR  32   3.850  -2.814  19.309
  243    HE1  TYR  32           HE1      TYR  32   2.575  -6.934  21.800
  244    HE2  TYR  32           HE2      TYR  32   5.533  -3.975  20.722
  245    HH   TYR  32           HH       TYR  32   5.942  -5.751  22.113
  246    H    VAL  33           H        VAL  33  -1.161  -5.308  17.480
  247    HA   VAL  33           HA       VAL  33  -2.544  -3.246  15.836
  248    HB   VAL  33           HB       VAL  33  -3.622  -5.006  14.509
  249   HG11  VAL  33          HG11      VAL  33  -1.762  -5.551  13.003
  250   HG12  VAL  33          HG12      VAL  33  -1.726  -3.863  13.511
  251   HG13  VAL  33          HG13      VAL  33  -0.596  -5.031  14.235
  252   HG21  VAL  33          HG21      VAL  33  -3.326  -6.971  16.009
  253   HG22  VAL  33          HG22      VAL  33  -2.733  -7.278  14.369
  254   HG23  VAL  33          HG23      VAL  33  -1.580  -6.953  15.667
  255    H    ILE  34           H        ILE  34  -4.793  -3.247  15.874
  256    HA   ILE  34           HA       ILE  34  -6.177  -4.731  18.110
  257    HB   ILE  34           HB       ILE  34  -6.824  -2.075  16.764
  258   HG12  ILE  34          HG12      ILE  34  -4.961  -2.028  18.467
  259   HG13  ILE  34          HG13      ILE  34  -6.318  -0.954  18.762
  260   HG21  ILE  34          HG21      ILE  34  -8.923  -3.166  17.232
  261   HG22  ILE  34          HG22      ILE  34  -8.400  -3.604  18.869
  262   HG23  ILE  34          HG23      ILE  34  -8.691  -1.902  18.436
  263   HD11  ILE  34          HD11      ILE  34  -7.135  -2.264  20.542
  264   HD12  ILE  34          HD12      ILE  34  -6.079  -3.645  20.142
  265   HD13  ILE  34          HD13      ILE  34  -5.399  -2.146  20.805
  266    H    HIS  35           H        HIS  35  -7.820  -6.150  17.421
  267    HA   HIS  35           HA       HIS  35  -8.812  -5.931  14.622
  268    HB2  HIS  35           HB2      HIS  35  -8.059  -8.190  14.080
  269    HB3  HIS  35           HB3      HIS  35  -6.680  -7.196  14.516
  270    HD1  HIS  35           HD1      HIS  35  -8.388 -10.396  15.481
  271    HD2  HIS  35           HD2      HIS  35  -5.649  -7.652  17.112
  272    HE1  HIS  35           HE1      HIS  35  -7.294 -11.564  17.463
  273    H    LEU  36           H        LEU  36 -10.759  -7.073  14.211
  274    HA   LEU  36           HA       LEU  36 -12.247  -7.915  16.619
  275    HB2  LEU  36           HB2      LEU  36 -13.293  -6.462  14.864
  276    HB3  LEU  36           HB3      LEU  36 -13.104  -7.767  13.692
  277    HG   LEU  36           HG       LEU  36 -14.559  -9.200  15.234
  278   HD11  LEU  36          HD11      LEU  36 -15.196  -6.500  16.511
  279   HD12  LEU  36          HD12      LEU  36 -15.983  -8.049  16.873
  280   HD13  LEU  36          HD13      LEU  36 -14.293  -7.804  17.300
  281   HD21  LEU  36          HD21      LEU  36 -16.692  -8.118  14.537
  282   HD22  LEU  36          HD22      LEU  36 -15.781  -6.672  14.058
  283   HD23  LEU  36          HD23      LEU  36 -15.514  -8.217  13.223
  284    H    ALA  37           H        ALA  37 -11.747  -9.852  17.374
  285    HA   ALA  37           HA       ALA  37 -10.745 -12.041  15.793
  286    HB1  ALA  37           HB1      ALA  37 -10.070 -11.660  18.109
  287    HB2  ALA  37           HB2      ALA  37 -11.739 -11.887  18.669
  288    HB3  ALA  37           HB3      ALA  37 -10.843 -13.253  17.963
  289    HA   PRO  38           HA       PRO  38 -14.423 -13.467  14.155
  290    HB2  PRO  38           HB2      PRO  38 -13.966 -16.133  13.597
  291    HB3  PRO  38           HB3      PRO  38 -13.172 -14.777  12.758
  292    HG2  PRO  38           HG2      PRO  38 -12.116 -16.371  15.108
  293    HG3  PRO  38           HG3      PRO  38 -11.285 -15.951  13.573
  294    HD2  PRO  38           HD2      PRO  38 -10.898 -14.490  15.816
  295    HD3  PRO  38           HD3      PRO  38 -11.021 -13.696  14.212
  296    HA   PRO  39           HA       PRO  39 -17.101 -15.688  17.067
  297    HB2  PRO  39           HB2      PRO  39 -19.451 -15.470  15.724
  298    HB3  PRO  39           HB3      PRO  39 -18.674 -14.051  16.470
  299    HG2  PRO  39           HG2      PRO  39 -18.611 -14.880  13.569
  300    HG3  PRO  39           HG3      PRO  39 -18.862 -13.241  14.255
  301    HD2  PRO  39           HD2      PRO  39 -16.435 -14.210  13.332
  302    HD3  PRO  39           HD3      PRO  39 -16.587 -12.925  14.559
  303    H    SER  40           H        SER  40 -16.305 -16.510  13.772
  304    HA   SER  40           HA       SER  40 -17.931 -18.615  13.147
  305    HB2  SER  40           HB2      SER  40 -15.047 -18.385  12.258
  306    HB3  SER  40           HB3      SER  40 -16.444 -18.995  11.354
  307    HG   SER  40           HG       SER  40 -15.959 -16.904  10.667
  308    H    GLU  41           H        GLU  41 -15.866 -18.910  15.712
  309    HA   GLU  41           HA       GLU  41 -14.923 -21.664  15.319
  310    HB2  GLU  41           HB2      GLU  41 -14.933 -19.852  17.746
  311    HB3  GLU  41           HB3      GLU  41 -14.153 -21.433  17.674
  312    HG2  GLU  41           HG2      GLU  41 -13.418 -18.948  16.059
  313    HG3  GLU  41           HG3      GLU  41 -12.508 -19.641  17.397
  314    H    TYR  42           H        TYR  42 -17.608 -21.635  14.844
  315    HA   TYR  42           HA       TYR  42 -19.295 -22.209  17.033
  316    HB2  TYR  42           HB2      TYR  42 -19.581 -23.300  14.228
  317    HB3  TYR  42           HB3      TYR  42 -20.850 -23.069  15.415
  318    HD1  TYR  42           HD2      TYR  42 -20.785 -20.436  16.397
  319    HD2  TYR  42           HD1      TYR  42 -19.656 -21.785  12.459
  320    HE1  TYR  42           HE2      TYR  42 -21.208 -18.164  15.508
  321    HE2  TYR  42           HE1      TYR  42 -20.105 -19.512  11.553
  322    HH   TYR  42           HH       TYR  42 -21.204 -16.814  13.638
  323    HA   PRO  43           HA       PRO  43 -18.196 -26.928  16.367
  324    HB2  PRO  43           HB2      PRO  43 -15.225 -26.510  16.011
  325    HB3  PRO  43           HB3      PRO  43 -16.257 -27.843  15.403
  326    HG2  PRO  43           HG2      PRO  43 -15.512 -25.856  13.733
  327    HG3  PRO  43           HG3      PRO  43 -17.218 -26.422  13.722
  328    HD2  PRO  43           HD2      PRO  43 -16.054 -24.008  15.145
  329    HD3  PRO  43           HD3      PRO  43 -17.532 -24.107  14.145
  330    H    GLY  44           H        GLY  44 -17.557 -28.262  18.080
  331    HA2  GLY  44           HA2      GLY  44 -16.759 -28.882  20.159
  332    HA3  GLY  44           HA3      GLY  44 -15.831 -27.367  20.256
  333    H    ALA  45           H        ALA  45 -17.868 -25.457  20.032
  334    HA   ALA  45           HA       ALA  45 -19.167 -25.602  22.642
  335    HB1  ALA  45           HB1      ALA  45 -18.251 -23.493  21.731
  336    HB2  ALA  45           HB2      ALA  45 -19.413 -23.570  20.390
  337    HB3  ALA  45           HB3      ALA  45 -19.994 -23.346  22.053
  338    H    GLY  46           H        GLY  46 -21.304 -25.723  23.158
  339    HA2  GLY  46           HA2      GLY  46 -23.317 -26.439  21.053
  340    HA3  GLY  46           HA3      GLY  46 -23.071 -27.446  22.481
  341    H    SER  47           H        SER  47 -22.797 -24.025  23.005
  342    HA   SER  47           HA       SER  47 -25.491 -23.301  23.584
  343    HB2  SER  47           HB2      SER  47 -23.836 -24.326  25.928
  344    HB3  SER  47           HB3      SER  47 -25.154 -23.168  26.137
  345    HG   SER  47           HG       SER  47 -25.577 -25.577  24.734
  346    H    SER  48           H        SER  48 -25.638 -21.132  24.445
  347    HA   SER  48           HA       SER  48 -23.781 -19.343  23.423
  348    HB2  SER  48           HB2      SER  48 -25.747 -18.827  25.685
  349    HB3  SER  48           HB3      SER  48 -25.103 -17.637  24.547
  350    HG   SER  48           HG       SER  48 -27.199 -18.340  23.935
  351    H    SER  49           H        SER  49 -23.539 -20.917  26.526
  352    HA   SER  49           HA       SER  49 -21.744 -19.043  27.816
  353    HB2  SER  49           HB2      SER  49 -21.292 -21.045  29.273
  354    HB3  SER  49           HB3      SER  49 -22.992 -20.578  29.151
  355    HG   SER  49           HG       SER  49 -22.695 -22.847  28.929
  356    H    VAL  50           H        VAL  50 -21.299 -21.412  25.305
  357    HA   VAL  50           HA       VAL  50 -19.584 -21.990  24.001
  358    HB   VAL  50           HB       VAL  50 -17.822 -19.965  25.465
  359   HG11  VAL  50          HG11      VAL  50 -16.433 -21.619  24.347
  360   HG12  VAL  50          HG12      VAL  50 -17.401 -21.475  22.861
  361   HG13  VAL  50          HG13      VAL  50 -16.422 -20.109  23.436
  362   HG21  VAL  50          HG21      VAL  50 -18.248 -18.569  23.442
  363   HG22  VAL  50          HG22      VAL  50 -19.423 -19.771  22.872
  364   HG23  VAL  50          HG23      VAL  50 -19.726 -18.859  24.365
  365    H    PHE  51           H        PHE  51 -18.542 -23.866  23.992
  366    HA   PHE  51           HA       PHE  51 -17.045 -24.698  26.433
  367    HB2  PHE  51           HB2      PHE  51 -17.884 -26.544  24.201
  368    HB3  PHE  51           HB3      PHE  51 -17.360 -26.968  25.812
  369    HD1  PHE  51           HD1      PHE  51 -19.157 -25.038  27.433
  370    HD2  PHE  51           HD2      PHE  51 -19.948 -27.712  24.140
  371    HE1  PHE  51           HE1      PHE  51 -21.523 -25.215  28.137
  372    HE2  PHE  51           HE2      PHE  51 -22.313 -27.895  24.863
  373    HZ   PHE  51           HZ       PHE  51 -23.108 -26.636  26.855
  374    H    SER  52           H        SER  52 -16.502 -23.994  23.024
  375    HA   SER  52           HA       SER  52 -13.698 -24.987  23.208
  376    HB2  SER  52           HB2      SER  52 -13.609 -24.460  20.802
  377    HB3  SER  52           HB3      SER  52 -14.874 -25.623  21.217
  378    HG   SER  52           HG       SER  52 -15.742 -24.117  19.812
  379    H    VAL  53           H        VAL  53 -14.734 -22.094  21.470
  380    HA   VAL  53           HA       VAL  53 -13.793 -20.143  23.365
  381    HB   VAL  53           HB       VAL  53 -11.570 -20.986  22.888
  382   HG11  VAL  53          HG11      VAL  53 -10.490 -20.934  20.739
  383   HG12  VAL  53          HG12      VAL  53 -11.933 -21.950  20.612
  384   HG13  VAL  53          HG13      VAL  53 -11.940 -20.300  19.948
  385   HG21  VAL  53          HG21      VAL  53 -10.443 -18.957  22.324
  386   HG22  VAL  53          HG22      VAL  53 -11.873 -18.309  21.506
  387   HG23  VAL  53          HG23      VAL  53 -11.887 -18.555  23.270
  388    H    LEU  54           H        LEU  54 -14.713 -18.282  22.940
  389    HA   LEU  54           HA       LEU  54 -15.769 -16.560  21.997
  390    HB2  LEU  54           HB2      LEU  54 -13.389 -16.529  21.125
  391    HB3  LEU  54           HB3      LEU  54 -13.999 -17.143  19.590
  392    HG   LEU  54           HG       LEU  54 -15.255 -15.067  19.223
  393   HD11  LEU  54          HD11      LEU  54 -15.892 -14.450  21.536
  394   HD12  LEU  54          HD12      LEU  54 -14.183 -14.160  21.936
  395   HD13  LEU  54          HD13      LEU  54 -15.023 -13.137  20.750
  396   HD21  LEU  54          HD21      LEU  54 -13.395 -13.547  18.961
  397   HD22  LEU  54          HD22      LEU  54 -12.424 -14.444  20.152
  398   HD23  LEU  54          HD23      LEU  54 -12.841 -15.188  18.597
  399    H    SER  55           H        SER  55 -16.838 -19.415  21.033
  400    HA   SER  55           HA       SER  55 -17.977 -19.139  18.530
  401    HB2  SER  55           HB2      SER  55 -19.244 -20.705  20.799
  402    HB3  SER  55           HB3      SER  55 -19.183 -21.119  19.077
  403    HG   SER  55           HG       SER  55 -17.075 -21.693  19.278
  404    H    ASN  56           H        ASN  56 -19.164 -17.502  21.352
  405    HA   ASN  56           HA       ASN  56 -21.978 -17.459  20.643
  406    HB2  ASN  56           HB2      ASN  56 -21.051 -17.220  22.959
  407    HB3  ASN  56           HB3      ASN  56 -20.367 -15.652  22.478
  408   HD21  ASN  56          HD22      ASN  56 -21.715 -13.820  22.485
  409   HD22  ASN  56          HD21      ASN  56 -23.422 -13.913  22.896
  410    H    SER  57           H        SER  57 -19.281 -15.134  20.215
  411    HA   SER  57           HA       SER  57 -20.562 -13.570  18.192
  412    HB2  SER  57           HB2      SER  57 -20.780 -11.456  19.546
  413    HB3  SER  57           HB3      SER  57 -21.979 -12.696  19.906
  414    HG   SER  57           HG       SER  57 -20.939 -11.608  21.755
  415    H    ALA  58           H        ALA  58 -19.170 -11.471  17.736
  416    HA   ALA  58           HA       ALA  58 -16.368 -12.362  17.774
  417    HB1  ALA  58           HB1      ALA  58 -17.598 -11.388  15.761
  418    HB2  ALA  58           HB2      ALA  58 -17.575  -9.823  16.600
  419    HB3  ALA  58           HB3      ALA  58 -16.053 -10.620  16.148
  420    H    GLU  59           H        GLU  59 -14.591 -10.927  18.470
  421    HA   GLU  59           HA       GLU  59 -15.343  -8.886  20.511
  422    HB2  GLU  59           HB2      GLU  59 -14.982 -11.009  21.727
  423    HB3  GLU  59           HB3      GLU  59 -13.347 -11.126  21.044
  424    HG2  GLU  59           HG2      GLU  59 -12.668  -9.095  22.207
  425    HG3  GLU  59           HG3      GLU  59 -14.333  -8.779  22.712
  426    H    VAL  60           H        VAL  60 -14.079  -7.094  20.498
  427    HA   VAL  60           HA       VAL  60 -11.881  -6.933  18.535
  428    HB   VAL  60           HB       VAL  60 -12.815  -4.836  20.501
  429   HG11  VAL  60          HG11      VAL  60 -11.583  -3.268  18.996
  430   HG12  VAL  60          HG12      VAL  60 -10.486  -4.479  19.664
  431   HG13  VAL  60          HG13      VAL  60 -11.061  -4.640  17.997
  432   HG21  VAL  60          HG21      VAL  60 -14.639  -5.344  18.918
  433   HG22  VAL  60          HG22      VAL  60 -13.928  -3.770  18.557
  434   HG23  VAL  60          HG23      VAL  60 -13.510  -5.170  17.553
  435    H    LYS  61           H        LYS  61  -9.857  -7.456  19.017
  436    HA   LYS  61           HA       LYS  61  -8.904  -7.505  21.863
  437    HB2  LYS  61           HB2      LYS  61  -8.401  -9.539  19.648
  438    HB3  LYS  61           HB3      LYS  61  -7.678  -9.566  21.266
  439    HG2  LYS  61           HG2      LYS  61 -10.053  -9.644  22.219
  440    HG3  LYS  61           HG3      LYS  61 -10.635  -9.830  20.566
  441    HD2  LYS  61           HD2      LYS  61 -10.592 -11.991  21.474
  442    HD3  LYS  61           HD3      LYS  61  -9.211 -11.911  20.358
  443    HE2  LYS  61           HE2      LYS  61  -7.680 -11.504  22.278
  444    HE3  LYS  61           HE3      LYS  61  -9.062 -11.517  23.387
  445    HZ1  LYS  61           HZ1      LYS  61  -8.170 -13.836  21.749
  446    HZ2  LYS  61           HZ2      LYS  61  -7.930 -13.659  23.357
  447    HZ3  LYS  61           HZ3      LYS  61  -9.446 -13.845  22.785
  448    H    ARG  62           H        ARG  62  -6.619  -7.358  22.180
  449    HA   ARG  62           HA       ARG  62  -5.116  -5.854  20.074
  450    HB2  ARG  62           HB2      ARG  62  -3.682  -5.006  21.833
  451    HB3  ARG  62           HB3      ARG  62  -5.363  -4.590  22.140
  452    HG2  ARG  62           HG2      ARG  62  -5.504  -6.463  23.809
  453    HG3  ARG  62           HG3      ARG  62  -3.779  -6.788  23.546
  454    HD2  ARG  62           HD2      ARG  62  -3.231  -4.487  24.317
  455    HD3  ARG  62           HD3      ARG  62  -4.948  -4.150  24.529
  456    HE   ARG  62           HE       ARG  62  -5.019  -5.402  26.463
  457   HH11  ARG  62          HH11      ARG  62  -1.823  -5.936  25.023
  458   HH12  ARG  62          HH12      ARG  62  -1.215  -6.721  26.447
  459   HH21  ARG  62          HH21      ARG  62  -4.170  -6.412  28.262
  460   HH22  ARG  62          HH22      ARG  62  -2.531  -6.977  28.260
  461    H    GLU  63           H        GLU  63  -3.120  -6.589  19.386
  462    HA   GLU  63           HA       GLU  63  -1.865  -9.003  20.435
  463    HB2  GLU  63           HB2      GLU  63  -3.934  -9.858  19.296
  464    HB3  GLU  63           HB3      GLU  63  -3.372  -9.141  17.791
  465    HG2  GLU  63           HG2      GLU  63  -3.069 -11.590  17.972
  466    HG3  GLU  63           HG3      GLU  63  -1.572 -10.733  17.646
  467    H    ARG  64           H        ARG  64  -0.063  -9.722  19.037
  468    HA   ARG  64           HA       ARG  64   1.522  -7.492  17.992
  469    HB2  ARG  64           HB2      ARG  64   1.972 -10.493  18.059
  470    HB3  ARG  64           HB3      ARG  64   3.182  -9.324  17.543
  471    HG2  ARG  64           HG2      ARG  64   3.607  -8.541  19.676
  472    HG3  ARG  64           HG3      ARG  64   1.999  -8.915  20.288
  473    HD2  ARG  64           HD2      ARG  64   4.100 -11.017  19.628
  474    HD3  ARG  64           HD3      ARG  64   3.761 -10.382  21.253
  475    HE   ARG  64           HE       ARG  64   1.273 -11.185  20.298
  476   HH11  ARG  64          HH11      ARG  64   4.267 -13.000  20.893
  477   HH12  ARG  64          HH12      ARG  64   3.386 -14.492  21.047
  478   HH21  ARG  64          HH21      ARG  64   0.284 -12.940  20.464
  479   HH22  ARG  64          HH22      ARG  64   1.068 -14.485  20.808
  480    H    LEU  65           H        LEU  65   1.994  -7.063  15.867
  481    HA   LEU  65           HA       LEU  65   0.211  -7.723  13.762
  482    HB2  LEU  65           HB2      LEU  65   1.689  -5.747  13.765
  483    HB3  LEU  65           HB3      LEU  65   3.118  -6.775  13.726
  484    HG   LEU  65           HG       LEU  65   2.445  -7.608  11.456
  485   HD11  LEU  65          HD11      LEU  65   0.718  -6.403  10.184
  486   HD12  LEU  65          HD12      LEU  65  -0.014  -7.172  11.596
  487   HD13  LEU  65          HD13      LEU  65   0.318  -5.425  11.611
  488   HD21  LEU  65          HD21      LEU  65   4.047  -5.760  11.741
  489   HD22  LEU  65          HD22      LEU  65   3.073  -5.540  10.280
  490   HD23  LEU  65          HD23      LEU  65   2.710  -4.597  11.743
  491    H    GLU  66           H        GLU  66   3.555  -8.999  14.230
  492    HA   GLU  66           HA       GLU  66   3.386 -10.919  12.162
  493    HB2  GLU  66           HB2      GLU  66   5.438 -11.825  13.045
  494    HB3  GLU  66           HB3      GLU  66   5.490 -10.069  13.104
  495    HG2  GLU  66           HG2      GLU  66   4.947 -10.159  15.558
  496    HG3  GLU  66           HG3      GLU  66   4.948 -11.922  15.473
  497    H    ASP  67           H        ASP  67   2.074 -11.216  15.429
  498    HA   ASP  67           HA       ASP  67   1.754 -14.117  15.279
  499    HB2  ASP  67           HB2      ASP  67   1.772 -12.877  17.420
  500    HB3  ASP  67           HB3      ASP  67   0.277 -12.062  16.959
  501    H    VAL  68           H        VAL  68  -0.289 -11.273  14.525
  502    HA   VAL  68           HA       VAL  68  -2.508 -12.808  13.529
  503    HB   VAL  68           HB       VAL  68  -1.761  -9.912  12.992
  504   HG11  VAL  68          HG11      VAL  68  -4.359 -11.386  12.353
  505   HG12  VAL  68          HG12      VAL  68  -4.121  -9.627  12.269
  506   HG13  VAL  68          HG13      VAL  68  -3.227 -10.680  11.173
  507   HG21  VAL  68          HG21      VAL  68  -2.286 -10.336  15.352
  508   HG22  VAL  68          HG22      VAL  68  -3.629  -9.466  14.604
  509   HG23  VAL  68          HG23      VAL  68  -3.763 -11.208  14.901
  510    H    VAL  69           H        VAL  69   0.142 -11.046  11.720
  511    HA   VAL  69           HA       VAL  69  -0.800 -12.143   9.233
  512    HB   VAL  69           HB       VAL  69   0.992 -10.989   8.205
  513   HG11  VAL  69          HG11      VAL  69  -0.334  -9.227  10.290
  514   HG12  VAL  69          HG12      VAL  69   0.339  -8.692   8.738
  515   HG13  VAL  69          HG13      VAL  69  -1.074  -9.765   8.773
  516   HG21  VAL  69          HG21      VAL  69   2.807 -11.271   9.889
  517   HG22  VAL  69          HG22      VAL  69   2.666  -9.673   9.144
  518   HG23  VAL  69          HG23      VAL  69   2.066  -9.920  10.777
  519    H    GLY  70           H        GLY  70   1.178 -13.575  11.594
  520    HA2  GLY  70           HA2      GLY  70   2.767 -15.264   9.814
  521    HA3  GLY  70           HA3      GLY  70   2.502 -15.460  11.569
  522    H    GLY  71           H        GLY  71  -0.445 -15.451  11.297
  523    HA2  GLY  71           HA2      GLY  71  -0.864 -18.249  10.341
  524    HA3  GLY  71           HA3      GLY  71  -1.896 -17.317  11.442
  525    H    CYS  72           H        CYS  72  -1.643 -15.002   9.349
  526    HA   CYS  72           HA       CYS  72  -3.809 -15.964   7.504
  527    HB2  CYS  72           HB2      CYS  72  -3.629 -13.345   9.073
  528    HB3  CYS  72           HB3      CYS  72  -4.899 -13.780   7.925
  529    HG   CYS  72           HG       CYS  72  -4.090 -15.237  10.792
  530    H    CYS  73           H        CYS  73  -3.943 -14.982   5.482
  531    HA   CYS  73           HA       CYS  73  -1.617 -13.466   4.483
  532    HB2  CYS  73           HB2      CYS  73  -4.241 -14.205   3.089
  533    HB3  CYS  73           HB3      CYS  73  -2.808 -13.519   2.322
  534    HG   CYS  73           HG       CYS  73  -1.164 -15.482   2.968
  535    H    TYR  74           H        TYR  74  -1.892 -11.271   3.481
  536    HA   TYR  74           HA       TYR  74  -4.073  -9.646   4.562
  537    HB2  TYR  74           HB2      TYR  74  -2.799  -8.397   6.139
  538    HB3  TYR  74           HB3      TYR  74  -2.563 -10.079   6.524
  539    HD1  TYR  74           HD1      TYR  74  -0.368 -11.219   5.717
  540    HD2  TYR  74           HD2      TYR  74  -0.948  -6.945   5.772
  541    HE1  TYR  74           HE1      TYR  74   2.095 -10.881   5.670
  542    HE2  TYR  74           HE2      TYR  74   1.505  -6.607   5.770
  543    HH   TYR  74           HH       TYR  74   3.556  -7.598   5.645
  544    H    ARG  75           H        ARG  75  -3.695  -7.260   4.321
  545    HA   ARG  75           HA       ARG  75  -1.630  -6.091   2.859
  546    HB2  ARG  75           HB2      ARG  75  -2.505  -5.417   0.761
  547    HB3  ARG  75           HB3      ARG  75  -2.483  -7.153   0.823
  548    HG2  ARG  75           HG2      ARG  75  -4.956  -5.407   1.208
  549    HG3  ARG  75           HG3      ARG  75  -4.475  -6.219  -0.288
  550    HD2  ARG  75           HD2      ARG  75  -4.600  -8.422   0.920
  551    HD3  ARG  75           HD3      ARG  75  -5.244  -7.556   2.319
  552    HE   ARG  75           HE       ARG  75  -7.275  -7.130   1.207
  553   HH11  ARG  75          HH21      ARG  75  -5.164  -8.830  -1.115
  554   HH12  ARG  75          HH22      ARG  75  -6.525  -9.195  -2.131
  555   HH21  ARG  75          HH11      ARG  75  -8.830  -7.609  -0.037
  556   HH22  ARG  75          HH12      ARG  75  -8.635  -8.484  -1.554
  557    H    VAL  76           H        VAL  76  -1.908  -3.733   2.522
  558    HA   VAL  76           HA       VAL  76  -3.568  -2.552   4.653
  559    HB   VAL  76           HB       VAL  76  -1.564  -1.376   2.714
  560   HG11  VAL  76          HG11      VAL  76  -3.140   0.440   3.074
  561   HG12  VAL  76          HG12      VAL  76  -3.213   0.101   4.815
  562   HG13  VAL  76          HG13      VAL  76  -1.723   0.736   4.080
  563   HG21  VAL  76          HG21      VAL  76  -0.700  -2.752   4.610
  564   HG22  VAL  76          HG22      VAL  76  -0.254  -1.046   4.776
  565   HG23  VAL  76          HG23      VAL  76  -1.589  -1.716   5.745
  566    H    ASN  77           H        ASN  77  -5.274  -1.095   4.424
  567    HA   ASN  77           HA       ASN  77  -6.528  -0.911   1.710
  568    HB2  ASN  77           HB2      ASN  77  -7.428  -2.763   3.010
  569    HB3  ASN  77           HB3      ASN  77  -7.792  -1.691   4.357
  570   HD21  ASN  77          HD22      ASN  77  -8.679  -2.483   0.964
  571   HD22  ASN  77          HD21      ASN  77 -10.243  -1.701   1.056
  572    H    ASN  78           H        ASN  78  -7.540   0.370   4.860
  573    HA   ASN  78           HA       ASN  78  -8.604   2.296   5.416
  574    HB2  ASN  78           HB2      ASN  78  -6.516   3.809   3.811
  575    HB3  ASN  78           HB3      ASN  78  -7.466   4.369   5.184
  576   HD21  ASN  78          HD22      ASN  78  -5.187   5.079   5.672
  577   HD22  ASN  78          HD21      ASN  78  -4.140   3.930   6.494
  578    H    SER  79           H        SER  79 -10.115   1.176   3.456
  579    HA   SER  79           HA       SER  79 -10.436   2.368   0.992
  580    HB2  SER  79           HB2      SER  79 -12.812   1.575   1.122
  581    HB3  SER  79           HB3      SER  79 -11.598   0.366   1.559
  582    HG   SER  79           HG       SER  79 -13.287   0.352   3.068
  583    H    LEU  80           H        LEU  80 -12.415   3.345   3.798
  584    HA   LEU  80           HA       LEU  80 -13.643   5.562   2.521
  585    HB2  LEU  80           HB2      LEU  80 -13.309   4.628   5.367
  586    HB3  LEU  80           HB3      LEU  80 -13.900   6.260   5.096
  587    HG   LEU  80           HG       LEU  80 -15.770   5.513   3.806
  588   HD11  LEU  80          HD11      LEU  80 -16.360   3.132   3.488
  589   HD12  LEU  80          HD12      LEU  80 -14.919   3.591   2.584
  590   HD13  LEU  80          HD13      LEU  80 -14.760   2.666   4.098
  591   HD21  LEU  80          HD21      LEU  80 -17.010   4.302   5.555
  592   HD22  LEU  80          HD22      LEU  80 -15.477   3.838   6.329
  593   HD23  LEU  80          HD23      LEU  80 -15.961   5.542   6.268
  594    H    ASP  81           H        ASP  81 -10.493   5.422   4.007
  595    HA   ASP  81           HA       ASP  81 -10.095   8.308   4.125
  596    HB2  ASP  81           HB2      ASP  81  -8.891   6.138   5.282
  597    HB3  ASP  81           HB3      ASP  81  -7.780   6.406   3.946
  598    H    HIS  82           H        HIS  82  -9.833   5.867   1.652
  599    HA   HIS  82           HA       HIS  82  -8.497   7.718  -0.270
  600    HB2  HIS  82           HB2      HIS  82  -9.414   4.819  -0.496
  601    HB3  HIS  82           HB3      HIS  82  -8.739   5.760  -1.816
  602    HD1  HIS  82           HD1      HIS  82  -7.609   4.357   1.610
  603    HD2  HIS  82           HD2      HIS  82  -6.120   5.953  -1.986
  604    HE1  HIS  82           HE1      HIS  82  -5.083   4.010   1.668
  605    H    GLU  83           H        GLU  83 -11.734   6.330   0.423
  606    HA   GLU  83           HA       GLU  83 -13.065   7.377  -1.874
  607    HB2  GLU  83           HB2      GLU  83 -14.117   6.825   0.906
  608    HB3  GLU  83           HB3      GLU  83 -15.125   7.286  -0.450
  609    HG2  GLU  83           HG2      GLU  83 -13.402   4.781  -0.426
  610    HG3  GLU  83           HG3      GLU  83 -15.108   4.841  -0.006
  611    H    TYR  84           H        TYR  84 -12.329   8.829   1.269
  612    HA   TYR  84           HA       TYR  84 -12.632  11.515   0.161
  613    HB2  TYR  84           HB2      TYR  84 -14.248  11.974   2.291
  614    HB3  TYR  84           HB3      TYR  84 -14.758  11.758   0.640
  615    HD1  TYR  84           HD2      TYR  84 -14.249   9.781   3.823
  616    HD2  TYR  84           HD1      TYR  84 -16.368  10.157   0.084
  617    HE1  TYR  84           HE2      TYR  84 -15.707   7.942   4.493
  618    HE2  TYR  84           HE1      TYR  84 -17.910   8.344   0.790
  619    HH   TYR  84           HH       TYR  84 -17.627   6.711   3.967
  620    H    GLN  85           H        GLN  85 -12.450  10.118   3.532
  621    HA   GLN  85           HA       GLN  85 -11.671  12.847   4.113
  622    HB2  GLN  85           HB2      GLN  85 -12.568  12.651   6.133
  623    HB3  GLN  85           HB3      GLN  85 -13.523  11.485   5.255
  624    HG2  GLN  85           HG2      GLN  85 -11.215  10.873   7.145
  625    HG3  GLN  85           HG3      GLN  85 -12.895  10.831   7.580
  626   HE21  GLN  85          HE22      GLN  85 -10.281   8.881   6.375
  627   HE22  GLN  85          HE21      GLN  85 -11.294   7.509   6.006
  628    HA   PRO  86           HA       PRO  86  -7.409  11.868   5.401
  629    HB2  PRO  86           HB2      PRO  86  -6.379  14.341   5.554
  630    HB3  PRO  86           HB3      PRO  86  -6.866  13.655   3.980
  631    HG2  PRO  86           HG2      PRO  86  -8.477  15.532   5.752
  632    HG3  PRO  86           HG3      PRO  86  -8.140  15.691   3.999
  633    HD2  PRO  86           HD2      PRO  86 -10.445  14.560   5.023
  634    HD3  PRO  86           HD3      PRO  86  -9.735  14.079   3.454
  635    H    ARG  87           H        ARG  87  -8.817  11.068   7.318
  636    HA   ARG  87           HA       ARG  87  -9.296  12.825   9.541
  637    HB2  ARG  87           HB2      ARG  87 -10.559  10.718   9.120
  638    HB3  ARG  87           HB3      ARG  87  -9.137   9.778   9.516
  639    HG2  ARG  87           HG2      ARG  87  -9.223  10.696  11.848
  640    HG3  ARG  87           HG3      ARG  87 -10.477  11.833  11.343
  641    HD2  ARG  87           HD2      ARG  87 -12.016   9.890  10.933
  642    HD3  ARG  87           HD3      ARG  87 -10.811   8.863  11.727
  643    HE   ARG  87           HE       ARG  87 -11.843  11.353  13.034
  644   HH11  ARG  87          HH11      ARG  87 -11.625   7.787  13.385
  645   HH12  ARG  87          HH12      ARG  87 -12.226   7.883  14.996
  646   HH21  ARG  87          HH21      ARG  87 -12.589  11.324  15.097
  647   HH22  ARG  87          HH22      ARG  87 -12.780   9.826  15.944
  648    HA   PRO  88           HA       PRO  88  -5.137  12.868  11.358
  649    HB2  PRO  88           HB2      PRO  88  -5.722  13.514  13.966
  650    HB3  PRO  88           HB3      PRO  88  -5.724  14.693  12.613
  651    HG2  PRO  88           HG2      PRO  88  -8.099  13.152  13.728
  652    HG3  PRO  88           HG3      PRO  88  -7.962  14.926  13.473
  653    HD2  PRO  88           HD2      PRO  88  -9.161  13.428  11.637
  654    HD3  PRO  88           HD3      PRO  88  -7.986  14.643  11.087
  655    H    VAL  89           H        VAL  89  -4.011  11.103  11.851
  656    HA   VAL  89           HA       VAL  89  -5.362   8.649  12.368
  657    HB   VAL  89           HB       VAL  89  -2.519   9.477  11.964
  658   HG11  VAL  89          HG11      VAL  89  -3.260   6.713  12.985
  659   HG12  VAL  89          HG12      VAL  89  -1.706   7.155  12.220
  660   HG13  VAL  89          HG13      VAL  89  -2.166   7.876  13.758
  661   HG21  VAL  89          HG21      VAL  89  -2.756   7.892  10.081
  662   HG22  VAL  89          HG22      VAL  89  -4.363   7.401  10.678
  663   HG23  VAL  89          HG23      VAL  89  -4.102   9.046  10.080
  664    H    GLU  90           H        GLU  90  -3.686  10.802  14.637
  665    HA   GLU  90           HA       GLU  90  -3.358   9.067  16.811
  666    HB2  GLU  90           HB2      GLU  90  -4.353  11.956  17.014
  667    HB3  GLU  90           HB3      GLU  90  -3.500  11.030  18.243
  668    HG2  GLU  90           HG2      GLU  90  -1.760  12.220  17.467
  669    HG3  GLU  90           HG3      GLU  90  -1.626  10.846  16.360
  670    H    VAL  91           H        VAL  91  -6.334  10.683  15.774
  671    HA   VAL  91           HA       VAL  91  -7.844   9.845  18.115
  672    HB   VAL  91           HB       VAL  91  -9.011  10.902  15.526
  673   HG11  VAL  91          HG11      VAL  91 -10.654  10.049  17.186
  674   HG12  VAL  91          HG12      VAL  91  -9.929  11.078  18.439
  675   HG13  VAL  91          HG13      VAL  91 -10.753  11.809  17.048
  676   HG21  VAL  91          HG21      VAL  91  -7.801  12.462  17.857
  677   HG22  VAL  91          HG22      VAL  91  -7.235  12.480  16.181
  678   HG23  VAL  91          HG23      VAL  91  -8.806  13.177  16.576
  679    H    ILE  92           H        ILE  92  -7.289   8.495  14.907
  680    HA   ILE  92           HA       ILE  92  -9.243   6.306  15.075
  681    HB   ILE  92           HB       ILE  92  -6.731   6.743  13.403
  682   HG12  ILE  92          HG12      ILE  92  -9.547   6.673  12.340
  683   HG13  ILE  92          HG13      ILE  92  -9.034   8.139  13.165
  684   HG21  ILE  92          HG21      ILE  92  -8.815   4.530  13.207
  685   HG22  ILE  92          HG22      ILE  92  -7.578   4.880  11.985
  686   HG23  ILE  92          HG23      ILE  92  -7.088   4.337  13.586
  687   HD11  ILE  92          HD11      ILE  92  -7.338   6.991  10.939
  688   HD12  ILE  92          HD12      ILE  92  -8.726   8.041  10.632
  689   HD13  ILE  92          HD13      ILE  92  -7.381   8.653  11.597
  690    H    ILE  93           H        ILE  93  -5.735   6.633  15.855
  691    HA   ILE  93           HA       ILE  93  -5.324   3.981  16.899
  692    HB   ILE  93           HB       ILE  93  -4.032   6.619  17.722
  693   HG12  ILE  93          HG12      ILE  93  -3.774   6.036  15.261
  694   HG13  ILE  93          HG13      ILE  93  -2.315   6.352  16.178
  695   HG21  ILE  93          HG21      ILE  93  -3.567   5.009  19.437
  696   HG22  ILE  93          HG22      ILE  93  -3.129   3.772  18.246
  697   HG23  ILE  93          HG23      ILE  93  -2.103   5.207  18.467
  698   HD11  ILE  93          HD11      ILE  93  -2.116   4.507  14.557
  699   HD12  ILE  93          HD12      ILE  93  -1.782   3.992  16.203
  700   HD13  ILE  93          HD13      ILE  93  -3.363   3.597  15.440
  701    H    SER  94           H        SER  94  -6.337   6.998  18.548
  702    HA   SER  94           HA       SER  94  -6.667   5.852  21.138
  703    HB2  SER  94           HB2      SER  94  -6.519   8.284  20.581
  704    HB3  SER  94           HB3      SER  94  -8.159   8.205  19.908
  705    HG   SER  94           HG       SER  94  -8.095   8.923  22.108
  706    H    SER  95           H        SER  95  -9.026   6.185  18.433
  707    HA   SER  95           HA       SER  95 -11.279   5.096  19.793
  708    HB2  SER  95           HB2      SER  95 -11.315   6.347  17.634
  709    HB3  SER  95           HB3      SER  95 -10.635   4.922  16.828
  710    HG   SER  95           HG       SER  95 -13.021   5.111  16.817
  711    H    ALA  96           H        ALA  96  -8.705   3.449  17.853
  712    HA   ALA  96           HA       ALA  96  -9.782   0.813  18.155
  713    HB1  ALA  96           HB1      ALA  96  -8.084   1.638  16.485
  714    HB2  ALA  96           HB2      ALA  96  -6.875   1.671  17.780
  715    HB3  ALA  96           HB3      ALA  96  -7.629   0.133  17.281
  716    H    LYS  97           H        LYS  97  -7.369   2.576  20.136
  717    HA   LYS  97           HA       LYS  97  -7.008   0.537  22.133
  718    HB2  LYS  97           HB2      LYS  97  -6.630   3.561  22.138
  719    HB3  LYS  97           HB3      LYS  97  -6.230   2.531  23.521
  720    HG2  LYS  97           HG2      LYS  97  -4.644   1.231  22.167
  721    HG3  LYS  97           HG3      LYS  97  -5.024   2.193  20.731
  722    HD2  LYS  97           HD2      LYS  97  -4.207   4.240  21.880
  723    HD3  LYS  97           HD3      LYS  97  -3.852   3.283  23.333
  724    HE2  LYS  97           HE2      LYS  97  -2.277   1.866  21.981
  725    HE3  LYS  97           HE3      LYS  97  -2.582   2.905  20.575
  726    HZ1  LYS  97           HZ1      LYS  97  -1.379   3.799  23.145
  727    HZ2  LYS  97           HZ2      LYS  97  -0.563   3.576  21.753
  728    HZ3  LYS  97           HZ3      LYS  97  -1.665   4.778  21.865
  729    H    GLU  98           H        GLU  98  -9.612   2.952  21.804
  730    HA   GLU  98           HA       GLU  98 -10.784   2.238  24.366
  731    HB2  GLU  98           HB2      GLU  98 -11.758   3.863  22.002
  732    HB3  GLU  98           HB3      GLU  98 -12.790   3.505  23.382
  733    HG2  GLU  98           HG2      GLU  98 -10.099   4.920  23.624
  734    HG3  GLU  98           HG3      GLU  98 -11.652   5.738  23.475
  735    H    MET  99           H        MET  99 -11.297   1.221  20.995
  736    HA   MET  99           HA       MET  99 -13.666  -0.310  21.532
  737    HB2  MET  99           HB2      MET  99 -11.725  -0.202  19.203
  738    HB3  MET  99           HB3      MET  99 -13.050  -1.358  19.231
  739    HG2  MET  99           HG2      MET  99 -13.369   1.649  19.479
  740    HG3  MET  99           HG3      MET  99 -13.617   0.722  18.014
  741    HE1  MET  99           HE1      MET  99 -16.873  -1.285  18.703
  742    HE2  MET  99           HE2      MET  99 -15.502  -0.990  17.610
  743    HE3  MET  99           HE3      MET  99 -15.266  -1.902  19.123
  744    H    VAL 100           H        VAL 100 -10.269  -1.304  21.669
  745    HA   VAL 100           HA       VAL 100 -10.747  -4.101  21.820
  746    HB   VAL 100           HB       VAL 100  -8.536  -3.494  21.640
  747   HG11  VAL 100          HG11      VAL 100  -8.636  -2.054  24.320
  748   HG12  VAL 100          HG12      VAL 100  -7.184  -2.335  23.342
  749   HG13  VAL 100          HG13      VAL 100  -8.470  -1.303  22.715
  750   HG21  VAL 100          HG21      VAL 100  -8.979  -5.554  22.948
  751   HG22  VAL 100          HG22      VAL 100  -7.417  -4.810  23.311
  752   HG23  VAL 100          HG23      VAL 100  -8.767  -4.629  24.445
  753    H    GLY 101           H        GLY 101 -11.633  -5.405  23.115
  754    HA2  GLY 101           HA2      GLY 101 -12.374  -6.280  25.224
  755    HA3  GLY 101           HA3      GLY 101 -12.509  -4.629  25.875
  756    H    GLN 102           H        GLN 102 -13.862  -4.204  22.914
  757    HA   GLN 102           HA       GLN 102 -16.598  -4.655  23.886
  758    HB2  GLN 102           HB2      GLN 102 -15.523  -3.494  21.278
  759    HB3  GLN 102           HB3      GLN 102 -17.222  -3.580  21.705
  760    HG2  GLN 102           HG2      GLN 102 -15.125  -2.006  23.267
  761    HG3  GLN 102           HG3      GLN 102 -16.222  -1.333  22.071
  762   HE21  GLN 102          HE22      GLN 102 -16.256  -0.179  24.554
  763   HE22  GLN 102          HE21      GLN 102 -17.723  -0.642  25.400
  764    H    LYS 103           H        LYS 103 -18.028  -6.036  23.120
  765    HA   LYS 103           HA       LYS 103 -17.242  -8.101  21.118
  766    HB2  LYS 103           HB2      LYS 103 -19.302  -8.144  23.365
  767    HB3  LYS 103           HB3      LYS 103 -19.243  -9.351  22.078
  768    HG2  LYS 103           HG2      LYS 103 -16.982 -10.038  22.745
  769    HG3  LYS 103           HG3      LYS 103 -16.974  -8.823  24.041
  770    HD2  LYS 103           HD2      LYS 103 -18.908  -9.916  25.114
  771    HD3  LYS 103           HD3      LYS 103 -19.057 -11.044  23.766
  772    HE2  LYS 103           HE2      LYS 103 -18.071 -12.202  25.607
  773    HE3  LYS 103           HE3      LYS 103 -16.869 -12.053  24.325
  774    HZ1  LYS 103           HZ1      LYS 103 -16.069 -11.562  26.631
  775    HZ2  LYS 103           HZ2      LYS 103 -15.725 -10.397  25.554
  776    HZ3  LYS 103           HZ3      LYS 103 -16.965 -10.194  26.640
  777    H    MET 104           H        MET 104 -18.805  -8.695  19.507
  778    HA   MET 104           HA       MET 104 -21.260  -7.180  19.142
  779    HB2  MET 104           HB2      MET 104 -20.655  -6.062  17.016
  780    HB3  MET 104           HB3      MET 104 -19.794  -5.419  18.400
  781    HG2  MET 104           HG2      MET 104 -17.765  -6.696  17.779
  782    HG3  MET 104           HG3      MET 104 -18.648  -7.444  16.445
  783    HE1  MET 104           HE1      MET 104 -16.760  -4.353  17.777
  784    HE2  MET 104           HE2      MET 104 -17.171  -3.077  16.610
  785    HE3  MET 104           HE3      MET 104 -18.400  -3.655  17.750
  786    H    LYS 105           H        LYS 105 -22.585  -7.795  17.501
  787    HA   LYS 105           HA       LYS 105 -21.897 -10.030  15.696
  788    HB2  LYS 105           HB2      LYS 105 -22.656 -10.829  18.100
  789    HB3  LYS 105           HB3      LYS 105 -24.267 -10.360  17.570
  790    HG2  LYS 105           HG2      LYS 105 -23.958 -11.901  15.562
  791    HG3  LYS 105           HG3      LYS 105 -22.382 -12.365  16.239
  792    HD2  LYS 105           HD2      LYS 105 -23.652 -13.037  18.368
  793    HD3  LYS 105           HD3      LYS 105 -25.147 -12.847  17.457
  794    HE2  LYS 105           HE2      LYS 105 -22.813 -14.679  16.690
  795    HE3  LYS 105           HE3      LYS 105 -24.231 -15.203  17.598
  796    HZ1  LYS 105           HZ1      LYS 105 -24.530 -15.713  15.272
  797    HZ2  LYS 105           HZ2      LYS 105 -25.630 -14.587  15.702
  798    HZ3  LYS 105           HZ3      LYS 105 -24.319 -14.153  14.819
  799    H    TYR 106           H        TYR 106 -22.325  -7.429  15.061
  800    HA   TYR 106           HA       TYR 106 -24.954  -6.442  14.766
  801    HB2  TYR 106           HB2      TYR 106 -23.014  -5.037  14.808
  802    HB3  TYR 106           HB3      TYR 106 -22.293  -5.857  13.436
  803    HD1  TYR 106           HD2      TYR 106 -25.216  -3.684  14.362
  804    HD2  TYR 106           HD1      TYR 106 -22.561  -5.058  11.250
  805    HE1  TYR 106           HE2      TYR 106 -26.162  -1.987  12.811
  806    HE2  TYR 106           HE1      TYR 106 -23.497  -3.353   9.700
  807    HH   TYR 106           HH       TYR 106 -26.083  -1.087  10.693
  808    H    SER 107           H        SER 107 -23.249  -8.632  12.605
  809    HA   SER 107           HA       SER 107 -25.421  -9.069  10.746
  810    HB2  SER 107           HB2      SER 107 -23.180  -7.131  10.017
  811    HB3  SER 107           HB3      SER 107 -24.060  -8.032   8.775
  812    HG   SER 107           HG       SER 107 -25.461  -6.516  10.691
  813    H    ILE 108           H        ILE 108 -24.130 -10.051   8.557
  814    HA   ILE 108           HA       ILE 108 -22.698 -12.391   9.308
  815    HB   ILE 108           HB       ILE 108 -22.035 -12.537   6.928
  816   HG12  ILE 108          HG12      ILE 108 -23.366  -9.811   6.557
  817   HG13  ILE 108          HG13      ILE 108 -21.634 -10.115   6.491
  818   HG21  ILE 108          HG21      ILE 108 -24.264 -13.284   7.775
  819   HG22  ILE 108          HG22      ILE 108 -24.958 -11.734   7.257
  820   HG23  ILE 108          HG23      ILE 108 -24.272 -12.855   6.060
  821   HD11  ILE 108          HD11      ILE 108 -23.717 -11.195   4.554
  822   HD12  ILE 108          HD12      ILE 108 -22.474  -9.974   4.246
  823   HD13  ILE 108          HD13      ILE 108 -21.992 -11.653   4.549
  824    H    VAL 109           H        VAL 109 -20.442 -12.934   9.150
  825    HA   VAL 109           HA       VAL 109 -18.934 -11.220  10.675
  826    HB   VAL 109           HB       VAL 109 -16.944 -12.536  10.331
  827   HG11  VAL 109          HG11      VAL 109 -19.368 -14.376  10.383
  828   HG12  VAL 109          HG12      VAL 109 -17.792 -14.619  11.153
  829   HG13  VAL 109          HG13      VAL 109 -18.865 -13.335  11.734
  830   HG21  VAL 109          HG21      VAL 109 -18.417 -13.934   8.047
  831   HG22  VAL 109          HG22      VAL 109 -16.933 -12.963   7.913
  832   HG23  VAL 109          HG23      VAL 109 -16.904 -14.481   8.806
  833    H    SER 110           H        SER 110 -18.782 -11.243   7.090
  834    HA   SER 110           HA       SER 110 -16.498  -9.506   6.882
  835    HB2  SER 110           HB2      SER 110 -17.429  -9.071   4.589
  836    HB3  SER 110           HB3      SER 110 -17.209 -10.782   4.986
  837    HG   SER 110           HG       SER 110 -19.246 -10.361   3.990
  838    H    ARG 111           H        ARG 111 -20.026  -8.801   7.024
  839    HA   ARG 111           HA       ARG 111 -19.611  -5.934   7.005
  840    HB2  ARG 111           HB2      ARG 111 -21.724  -6.961   6.226
  841    HB3  ARG 111           HB3      ARG 111 -22.041  -7.506   7.871
  842    HG2  ARG 111           HG2      ARG 111 -23.339  -5.532   7.556
  843    HG3  ARG 111           HG3      ARG 111 -22.006  -5.025   8.602
  844    HD2  ARG 111           HD2      ARG 111 -20.861  -3.965   6.756
  845    HD3  ARG 111           HD3      ARG 111 -22.057  -4.585   5.593
  846    HE   ARG 111           HE       ARG 111 -23.663  -3.267   7.307
  847   HH11  ARG 111          HH11      ARG 111 -20.798  -2.137   5.542
  848   HH12  ARG 111          HH12      ARG 111 -21.296  -0.469   5.662
  849   HH21  ARG 111          HH21      ARG 111 -24.219  -1.104   7.437
  850   HH22  ARG 111          HH22      ARG 111 -23.216   0.099   6.686
  851    H    ASN 112           H        ASN 112 -19.927  -8.341   9.601
  852    HA   ASN 112           HA       ASN 112 -20.084  -6.479  11.785
  853    HB2  ASN 112           HB2      ASN 112 -20.404  -9.081  11.690
  854    HB3  ASN 112           HB3      ASN 112 -18.659  -9.171  11.891
  855   HD21  ASN 112          HD22      ASN 112 -18.876 -10.253  13.925
  856   HD22  ASN 112          HD21      ASN 112 -19.468  -9.413  15.350
  857    H    CYS 113           H        CYS 113 -17.260  -7.921  10.207
  858    HA   CYS 113           HA       CYS 113 -15.183  -6.462  11.518
  859    HB2  CYS 113           HB2      CYS 113 -15.538  -7.940   8.863
  860    HB3  CYS 113           HB3      CYS 113 -13.977  -7.262   9.344
  861    HG   CYS 113           HG       CYS 113 -14.323  -9.931   9.769
  862    H    GLU 114           H        GLU 114 -16.867  -5.749   8.384
  863    HA   GLU 114           HA       GLU 114 -15.538  -3.285   7.875
  864    HB2  GLU 114           HB2      GLU 114 -16.868  -4.606   6.254
  865    HB3  GLU 114           HB3      GLU 114 -18.347  -4.122   7.096
  866    HG2  GLU 114           HG2      GLU 114 -17.888  -1.748   6.547
  867    HG3  GLU 114           HG3      GLU 114 -16.376  -2.227   5.759
  868    H    HIS 115           H        HIS 115 -18.661  -3.844   9.556
  869    HA   HIS 115           HA       HIS 115 -19.396  -1.265  10.326
  870    HB2  HIS 115           HB2      HIS 115 -20.825  -3.167  10.603
  871    HB3  HIS 115           HB3      HIS 115 -19.671  -3.986  11.642
  872    HD1  HIS 115           HD1      HIS 115 -22.096  -0.974  11.873
  873    HD2  HIS 115           HD2      HIS 115 -19.947  -3.763  14.173
  874    HE1  HIS 115           HE1      HIS 115 -22.904  -0.696  14.266
  875    H    PHE 116           H        PHE 116 -17.209  -3.597  11.990
  876    HA   PHE 116           HA       PHE 116 -16.421  -1.960  14.172
  877    HB2  PHE 116           HB2      PHE 116 -15.992  -4.200  14.440
  878    HB3  PHE 116           HB3      PHE 116 -15.468  -4.457  12.823
  879    HD1  PHE 116           HD1      PHE 116 -14.377  -2.672  15.958
  880    HD2  PHE 116           HD2      PHE 116 -13.165  -4.731  12.366
  881    HE1  PHE 116           HE1      PHE 116 -12.013  -2.540  16.682
  882    HE2  PHE 116           HE2      PHE 116 -10.799  -4.608  13.098
  883    HZ   PHE 116           HZ       PHE 116 -10.216  -3.516  15.259
  884    H    VAL 117           H        VAL 117 -14.511  -2.511  11.093
  885    HA   VAL 117           HA       VAL 117 -12.667  -0.448  11.932
  886    HB   VAL 117           HB       VAL 117 -11.739  -0.398   9.658
  887   HG11  VAL 117          HG11      VAL 117 -10.673  -2.512   9.850
  888   HG12  VAL 117          HG12      VAL 117 -10.968  -1.910  11.479
  889   HG13  VAL 117          HG13      VAL 117 -12.018  -3.182  10.814
  890   HG21  VAL 117          HG21      VAL 117 -13.729  -2.593   8.993
  891   HG22  VAL 117          HG22      VAL 117 -13.743  -0.954   8.316
  892   HG23  VAL 117          HG23      VAL 117 -12.387  -2.040   7.979
  893    H    THR 118           H        THR 118 -15.670  -0.180  10.103
  894    HA   THR 118           HA       THR 118 -15.273   2.595   9.306
  895    HB   THR 118           HB       THR 118 -17.955   1.395  10.105
  896    HG1  THR 118           HG1      THR 118 -16.991   0.054   8.552
  897   HG21  THR 118          HG21      THR 118 -17.134   3.621   8.202
  898   HG22  THR 118          HG22      THR 118 -18.786   2.994   8.395
  899   HG23  THR 118          HG23      THR 118 -17.980   3.806   9.746
  900    H    GLN 119           H        GLN 119 -16.764   1.172  12.353
  901    HA   GLN 119           HA       GLN 119 -17.015   3.739  13.576
  902    HB2  GLN 119           HB2      GLN 119 -16.756   0.931  14.649
  903    HB3  GLN 119           HB3      GLN 119 -16.811   2.308  15.753
  904    HG2  GLN 119           HG2      GLN 119 -18.953   3.019  15.020
  905    HG3  GLN 119           HG3      GLN 119 -18.895   2.026  13.564
  906   HE21  GLN 119          HE22      GLN 119 -18.764  -0.367  13.894
  907   HE22  GLN 119          HE21      GLN 119 -19.907  -0.985  15.078
  908    H    LEU 120           H        LEU 120 -14.005   1.855  13.223
  909    HA   LEU 120           HA       LEU 120 -12.491   3.590  15.007
  910    HB2  LEU 120           HB2      LEU 120 -11.489   2.002  12.606
  911    HB3  LEU 120           HB3      LEU 120 -10.514   2.699  13.895
  912    HG   LEU 120           HG       LEU 120 -12.506   0.415  14.204
  913   HD11  LEU 120          HD11      LEU 120  -9.472   0.514  14.440
  914   HD12  LEU 120          HD12      LEU 120 -10.499  -0.916  14.663
  915   HD13  LEU 120          HD13      LEU 120 -10.374  -0.155  13.064
  916   HD21  LEU 120          HD21      LEU 120 -10.763   1.820  16.267
  917   HD22  LEU 120          HD22      LEU 120 -12.533   1.720  16.265
  918   HD23  LEU 120          HD23      LEU 120 -11.576   0.259  16.537
  919    H    ARG 121           H        ARG 121 -13.417   3.891  11.612
  920    HA   ARG 121           HA       ARG 121 -11.910   6.457  11.347
  921    HB2  ARG 121           HB2      ARG 121 -11.889   4.274   9.758
  922    HB3  ARG 121           HB3      ARG 121 -13.404   4.916   9.170
  923    HG2  ARG 121           HG2      ARG 121 -11.727   5.613   7.633
  924    HG3  ARG 121           HG3      ARG 121 -12.165   7.055   8.565
  925    HD2  ARG 121           HD2      ARG 121  -9.816   7.025   8.251
  926    HD3  ARG 121           HD3      ARG 121 -10.196   6.771   9.957
  927    HE   ARG 121           HE       ARG 121  -9.910   4.234   9.264
  928   HH11  ARG 121          HH21      ARG 121  -7.841   6.815   7.895
  929   HH12  ARG 121          HH22      ARG 121  -6.388   5.941   8.279
  930   HH21  ARG 121          HH11      ARG 121  -7.918   3.209   9.734
  931   HH22  ARG 121          HH12      ARG 121  -6.423   3.957   9.272
  932    H    TYR 122           H        TYR 122 -15.105   5.492  11.829
  933    HA   TYR 122           HA       TYR 122 -16.705   6.889  10.159
  934    HB2  TYR 122           HB2      TYR 122 -17.372   5.123  11.688
  935    HB3  TYR 122           HB3      TYR 122 -17.128   6.173  13.077
  936    HD1  TYR 122           HD1      TYR 122 -18.912   7.268   9.944
  937    HD2  TYR 122           HD2      TYR 122 -19.314   5.627  13.919
  938    HE1  TYR 122           HE1      TYR 122 -21.352   7.707   9.881
  939    HE2  TYR 122           HE2      TYR 122 -21.751   6.073  13.859
  940    HH   TYR 122           HH       TYR 122 -23.503   6.907  12.631
  941    H    GLY 123           H        GLY 123 -14.849   8.185  12.765
  942    HA2  GLY 123           HA2      GLY 123 -16.589  10.309  13.659
  943    HA3  GLY 123           HA3      GLY 123 -14.875  10.139  14.053
  944    H    LYS 124           H        LYS 124 -14.549  10.256  10.862
  945    HA   LYS 124           HA       LYS 124 -15.314  13.113  10.450
  946    HB2  LYS 124           HB2      LYS 124 -12.810  12.665  11.172
  947    HB3  LYS 124           HB3      LYS 124 -12.601  12.200   9.476
  948    HG2  LYS 124           HG2      LYS 124 -13.529  14.473   8.828
  949    HG3  LYS 124           HG3      LYS 124 -13.676  14.856  10.550
  950    HD2  LYS 124           HD2      LYS 124 -11.186  14.466  10.771
  951    HD3  LYS 124           HD3      LYS 124 -11.094  14.320   9.008
  952    HE2  LYS 124           HE2      LYS 124 -12.119  16.746  10.570
  953    HE3  LYS 124           HE3      LYS 124 -10.496  16.592   9.898
  954    HZ1  LYS 124           HZ1      LYS 124 -11.921  17.876   8.439
  955    HZ2  LYS 124           HZ2      LYS 124 -11.483  16.503   7.672
  956    HZ3  LYS 124           HZ3      LYS 124 -12.997  16.660   8.296
  957    H    SER 125           H        SER 125 -15.828  10.113   9.341
  958    HA   SER 125           HA       SER 125 -15.531  10.294   6.478
  959    HB2  SER 125           HB2      SER 125 -17.443   8.626   8.153
  960    HB3  SER 125           HB3      SER 125 -17.086   8.400   6.431
  961    HG   SER 125           HG       SER 125 -14.799   8.229   7.119
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  16.697 -11.102   1.306
    2    H2   MET   1           H2       MET   1  16.846  -9.663   0.537
    3    H3   MET   1           H3       MET   1  17.209  -9.784   2.130
    4    HA   MET   1           HA       MET   1  15.094  -8.685   1.855
    5    HB2  MET   1           HB2      MET   1  14.555  -9.784  -0.329
    6    HB3  MET   1           HB3      MET   1  14.198 -11.285   0.531
    7    HG2  MET   1           HG2      MET   1  12.387 -10.131   1.767
    8    HG3  MET   1           HG3      MET   1  12.759  -8.627   0.924
    9    HE1  MET   1           HE1      MET   1   9.877 -10.063   1.202
   10    HE2  MET   1           HE2      MET   1  10.128  -8.486   0.414
   11    HE3  MET   1           HE3      MET   1   9.228  -9.771  -0.420
   12    H    ALA   2           H        ALA   2  13.934  -8.669   3.741
   13    HA   ALA   2           HA       ALA   2  14.318 -10.810   5.721
   14    HB1  ALA   2           HB1      ALA   2  14.509  -8.403   6.296
   15    HB2  ALA   2           HB2      ALA   2  12.813  -8.162   5.834
   16    HB3  ALA   2           HB3      ALA   2  13.228  -9.196   7.222
   17    H    SER   3           H        SER   3  12.288 -11.353   7.108
   18    HA   SER   3           HA       SER   3  10.560 -12.950   5.562
   19    HB2  SER   3           HB2      SER   3  10.051 -12.001   8.401
   20    HB3  SER   3           HB3      SER   3   9.381 -13.435   7.610
   21    HG   SER   3           HG       SER   3  11.197 -13.941   8.927
   22    HA   PRO   4           HA       PRO   4   6.982  -9.738   6.138
   23    HB2  PRO   4           HB2      PRO   4   8.525  -7.174   5.849
   24    HB3  PRO   4           HB3      PRO   4   7.026  -7.501   6.774
   25    HG2  PRO   4           HG2      PRO   4   9.405  -7.315   8.058
   26    HG3  PRO   4           HG3      PRO   4   8.251  -8.617   8.505
   27    HD2  PRO   4           HD2      PRO   4  10.651  -8.787   6.661
   28    HD3  PRO   4           HD3      PRO   4  10.189  -9.878   7.999
   29    H    HIS   5           H        HIS   5   5.811  -9.259   4.362
   30    HA   HIS   5           HA       HIS   5   7.170  -8.600   1.759
   31    HB2  HIS   5           HB2      HIS   5   4.933 -10.576   2.376
   32    HB3  HIS   5           HB3      HIS   5   5.219  -9.944   0.761
   33    HD1  HIS   5           HD1      HIS   5   7.642 -11.627   3.361
   34    HD2  HIS   5           HD2      HIS   5   6.521 -11.573  -0.702
   35    HE1  HIS   5           HE1      HIS   5   9.096 -13.351   2.200
   36    H    GLN   6           H        GLN   6   5.810  -7.024   4.000
   37    HA   GLN   6           HA       GLN   6   4.229  -5.147   2.453
   38    HB2  GLN   6           HB2      GLN   6   2.180  -5.350   3.704
   39    HB3  GLN   6           HB3      GLN   6   2.510  -6.891   2.945
   40    HG2  GLN   6           HG2      GLN   6   3.226  -6.357   5.866
   41    HG3  GLN   6           HG3      GLN   6   1.627  -6.857   5.364
   42   HE21  GLN   6          HE22      GLN   6   1.255  -9.066   4.673
   43   HE22  GLN   6          HE21      GLN   6   2.536 -10.267   4.841
   44    H    GLU   7           H        GLU   7   3.359  -3.398   4.104
   45    HA   GLU   7           HA       GLU   7   4.892  -3.307   6.620
   46    HB2  GLU   7           HB2      GLU   7   6.242  -2.062   4.937
   47    HB3  GLU   7           HB3      GLU   7   4.873  -0.968   4.674
   48    HG2  GLU   7           HG2      GLU   7   4.981  -0.290   7.071
   49    HG3  GLU   7           HG3      GLU   7   6.320  -1.416   7.325
   50    HA   PRO   8           HA       PRO   8   0.711  -1.870   7.661
   51    HB2  PRO   8           HB2      PRO   8   0.926  -1.723  10.356
   52    HB3  PRO   8           HB3      PRO   8   0.911  -3.298   9.495
   53    HG2  PRO   8           HG2      PRO   8   3.336  -1.729  10.436
   54    HG3  PRO   8           HG3      PRO   8   2.976  -3.456  10.726
   55    HD2  PRO   8           HD2      PRO   8   4.592  -2.616   8.705
   56    HD3  PRO   8           HD3      PRO   8   3.504  -4.023   8.497
   57    H    LYS   9           H        LYS   9  -0.215   0.141   7.982
   58    HA   LYS   9           HA       LYS   9   1.668   2.441   8.307
   59    HB2  LYS   9           HB2      LYS   9  -0.913   2.266   6.709
   60    HB3  LYS   9           HB3      LYS   9   0.171   3.651   6.784
   61    HG2  LYS   9           HG2      LYS   9   0.714   0.947   5.482
   62    HG3  LYS   9           HG3      LYS   9   0.437   2.496   4.691
   63    HD2  LYS   9           HD2      LYS   9   2.554   3.337   5.866
   64    HD3  LYS   9           HD3      LYS   9   2.869   1.637   6.308
   65    HE2  LYS   9           HE2      LYS   9   2.925   0.955   3.983
   66    HE3  LYS   9           HE3      LYS   9   2.342   2.537   3.444
   67    HZ1  LYS   9           HZ1      LYS   9   4.734   2.340   3.133
   68    HZ2  LYS   9           HZ2      LYS   9   4.424   3.516   4.223
   69    HZ3  LYS   9           HZ3      LYS   9   4.993   2.062   4.724
   70    HA   PRO  10           HA       PRO  10  -0.652   3.557  11.931
   71    HB2  PRO  10           HB2      PRO  10  -0.185   6.220  12.148
   72    HB3  PRO  10           HB3      PRO  10   1.050   4.947  12.508
   73    HG2  PRO  10           HG2      PRO  10   0.667   6.534   9.950
   74    HG3  PRO  10           HG3      PRO  10   2.198   6.242  10.848
   75    HD2  PRO  10           HD2      PRO  10   1.540   4.737   8.697
   76    HD3  PRO  10           HD3      PRO  10   2.282   3.972  10.138
   77    H    GLY  11           H        GLY  11  -2.654   3.774  12.283
   78    HA2  GLY  11           HA2      GLY  11  -4.817   4.483  12.291
   79    HA3  GLY  11           HA3      GLY  11  -4.362   5.856  11.277
   80    H    ASP  12           H        ASP  12  -3.353   3.220   9.612
   81    HA   ASP  12           HA       ASP  12  -5.871   2.921   8.053
   82    HB2  ASP  12           HB2      ASP  12  -3.018   2.076   7.467
   83    HB3  ASP  12           HB3      ASP  12  -4.402   1.630   6.480
   84    H    LEU  13           H        LEU  13  -6.352   0.676   7.330
   85    HA   LEU  13           HA       LEU  13  -6.123  -1.164   9.647
   86    HB2  LEU  13           HB2      LEU  13  -8.478  -1.816   9.293
   87    HB3  LEU  13           HB3      LEU  13  -8.212  -0.191   9.834
   88    HG   LEU  13           HG       LEU  13  -8.403   0.366   7.181
   89   HD11  LEU  13          HD11      LEU  13  -8.722  -2.004   6.548
   90   HD12  LEU  13          HD12      LEU  13 -10.162  -2.086   7.580
   91   HD13  LEU  13          HD13      LEU  13 -10.144  -1.027   6.164
   92   HD21  LEU  13          HD21      LEU  13  -9.697   1.487   8.837
   93   HD22  LEU  13          HD22      LEU  13 -10.848   0.802   7.682
   94   HD23  LEU  13          HD23      LEU  13 -10.584   0.012   9.255
   95    H    ILE  14           H        ILE  14  -6.331  -3.247   9.398
   96    HA   ILE  14           HA       ILE  14  -4.995  -4.298   6.943
   97    HB   ILE  14           HB       ILE  14  -4.554  -4.852   9.922
   98   HG12  ILE  14          HG12      ILE  14  -2.566  -3.538   8.037
   99   HG13  ILE  14          HG13      ILE  14  -3.676  -2.584   9.021
  100   HG21  ILE  14          HG21      ILE  14  -2.633  -6.229   9.250
  101   HG22  ILE  14          HG22      ILE  14  -4.087  -6.849   8.488
  102   HG23  ILE  14          HG23      ILE  14  -2.953  -5.871   7.537
  103   HD11  ILE  14          HD11      ILE  14  -2.763  -3.587  11.083
  104   HD12  ILE  14          HD12      ILE  14  -1.561  -4.474  10.106
  105   HD13  ILE  14          HD13      ILE  14  -1.556  -2.705  10.132
  106    H    GLU  15           H        GLU  15  -5.828  -6.145   6.114
  107    HA   GLU  15           HA       GLU  15  -7.955  -7.626   7.583
  108    HB2  GLU  15           HB2      GLU  15  -8.321  -7.037   5.188
  109    HB3  GLU  15           HB3      GLU  15  -6.895  -7.981   4.745
  110    HG2  GLU  15           HG2      GLU  15  -7.953 -10.035   5.565
  111    HG3  GLU  15           HG3      GLU  15  -9.298  -9.105   6.249
  112    H    ILE  16           H        ILE  16  -7.310  -9.265   8.821
  113    HA   ILE  16           HA       ILE  16  -4.632 -10.560   8.409
  114    HB   ILE  16           HB       ILE  16  -6.299 -10.277  10.946
  115   HG12  ILE  16          HG12      ILE  16  -3.717  -8.859  10.129
  116   HG13  ILE  16          HG13      ILE  16  -5.309  -8.110  10.183
  117   HG21  ILE  16          HG21      ILE  16  -3.496 -11.407  10.470
  118   HG22  ILE  16          HG22      ILE  16  -4.277 -11.231  12.059
  119   HG23  ILE  16          HG23      ILE  16  -4.942 -12.355  10.888
  120   HD11  ILE  16          HD11      ILE  16  -4.095  -7.454  12.135
  121   HD12  ILE  16          HD12      ILE  16  -5.437  -8.514  12.623
  122   HD13  ILE  16          HD13      ILE  16  -3.764  -9.128  12.583
  123    H    PHE  17           H        PHE  17  -4.609 -12.579   7.793
  124    HA   PHE  17           HA       PHE  17  -7.149 -14.027   7.409
  125    HB2  PHE  17           HB2      PHE  17  -4.314 -14.447   6.375
  126    HB3  PHE  17           HB3      PHE  17  -5.678 -15.473   5.970
  127    HD1  PHE  17           HD2      PHE  17  -4.567 -11.864   5.747
  128    HD2  PHE  17           HD1      PHE  17  -6.986 -15.022   4.080
  129    HE1  PHE  17           HE2      PHE  17  -5.179 -10.388   3.858
  130    HE2  PHE  17           HE1      PHE  17  -7.575 -13.552   2.173
  131    HZ   PHE  17           HZ       PHE  17  -6.687 -11.230   2.061
  132    H    ARG  18           H        ARG  18  -7.144 -14.149   9.876
  133    HA   ARG  18           HA       ARG  18  -5.249 -15.515  11.341
  134    HB2  ARG  18           HB2      ARG  18  -7.804 -14.400  11.882
  135    HB3  ARG  18           HB3      ARG  18  -7.798 -16.002  12.602
  136    HG2  ARG  18           HG2      ARG  18  -5.628 -13.898  12.994
  137    HG3  ARG  18           HG3      ARG  18  -6.952 -14.196  14.123
  138    HD2  ARG  18           HD2      ARG  18  -6.139 -16.382  14.682
  139    HD3  ARG  18           HD3      ARG  18  -4.959 -16.366  13.355
  140    HE   ARG  18           HE       ARG  18  -4.360 -14.137  14.938
  141   HH11  ARG  18          HH11      ARG  18  -4.235 -17.666  15.324
  142   HH12  ARG  18          HH12      ARG  18  -2.916 -17.580  16.447
  143   HH21  ARG  18          HH21      ARG  18  -2.687 -14.102  16.388
  144   HH22  ARG  18          HH22      ARG  18  -2.055 -15.574  17.063
  145    H    LEU  19           H        LEU  19  -8.270 -17.154  10.216
  146    HA   LEU  19           HA       LEU  19  -6.897 -19.794  10.533
  147    HB2  LEU  19           HB2      LEU  19  -8.918 -18.472  12.347
  148    HB3  LEU  19           HB3      LEU  19  -8.997 -20.237  12.173
  149    HG   LEU  19           HG       LEU  19  -6.643 -18.657  13.258
  150   HD11  LEU  19          HD11      LEU  19  -7.247 -19.811  15.369
  151   HD12  LEU  19          HD12      LEU  19  -8.510 -18.718  14.786
  152   HD13  LEU  19          HD13      LEU  19  -8.697 -20.467  14.572
  153   HD21  LEU  19          HD21      LEU  19  -5.746 -20.650  12.146
  154   HD22  LEU  19          HD22      LEU  19  -5.766 -20.947  13.884
  155   HD23  LEU  19          HD23      LEU  19  -7.017 -21.667  12.853
  156    H    GLY  20           H        GLY  20 -10.031 -20.568  10.758
  157    HA2  GLY  20           HA2      GLY  20 -10.441 -20.942   7.862
  158    HA3  GLY  20           HA3      GLY  20 -11.528 -21.434   9.185
  159    H    TYR  21           H        TYR  21 -10.147 -18.251   8.653
  160    HA   TYR  21           HA       TYR  21 -12.361 -16.798   7.651
  161    HB2  TYR  21           HB2      TYR  21 -13.026 -15.657   9.741
  162    HB3  TYR  21           HB3      TYR  21 -13.510 -17.338   9.683
  163    HD1  TYR  21           HD2      TYR  21 -11.134 -14.916  11.230
  164    HD2  TYR  21           HD1      TYR  21 -12.812 -18.888  11.373
  165    HE1  TYR  21           HE2      TYR  21 -10.299 -15.185  13.560
  166    HE2  TYR  21           HE1      TYR  21 -11.985 -19.151  13.706
  167    HH   TYR  21           HH       TYR  21 -11.023 -18.126  15.502
  168    H    GLU  22           H        GLU  22 -12.051 -14.521   7.729
  169    HA   GLU  22           HA       GLU  22  -9.308 -13.550   8.398
  170    HB2  GLU  22           HB2      GLU  22 -11.230 -12.388   6.339
  171    HB3  GLU  22           HB3      GLU  22  -9.614 -11.821   6.730
  172    HG2  GLU  22           HG2      GLU  22  -9.375 -12.958   4.702
  173    HG3  GLU  22           HG3      GLU  22  -8.708 -14.037   5.919
  174    H    HIS  23           H        HIS  23  -9.228 -11.389   9.360
  175    HA   HIS  23           HA       HIS  23 -11.757 -10.050   9.997
  176    HB2  HIS  23           HB2      HIS  23 -11.648 -10.099  12.338
  177    HB3  HIS  23           HB3      HIS  23 -11.459 -11.765  11.830
  178    HD1  HIS  23           HD1      HIS  23 -10.289  -9.913  14.492
  179    HD2  HIS  23           HD2      HIS  23  -8.351 -12.085  11.456
  180    HE1  HIS  23           HE1      HIS  23  -7.937 -10.441  15.359
  181    H    TRP  24           H        TRP  24 -11.420  -7.936  11.168
  182    HA   TRP  24           HA       TRP  24  -9.190  -6.555   9.803
  183    HB2  TRP  24           HB2      TRP  24 -11.769  -5.572  11.072
  184    HB3  TRP  24           HB3      TRP  24 -10.543  -4.526  10.376
  185    HD1  TRP  24           HD1      TRP  24 -13.628  -6.174   9.528
  186    HE1  TRP  24           HE1      TRP  24 -14.088  -6.131   6.999
  187    HE3  TRP  24           HE3      TRP  24  -9.012  -4.725   7.911
  188    HZ2  TRP  24           HZ2      TRP  24 -12.642  -5.454   4.584
  189    HZ3  TRP  24           HZ3      TRP  24  -8.580  -4.330   5.501
  190    HH2  TRP  24           HH2      TRP  24 -10.382  -4.691   3.826
  191    H    ALA  25           H        ALA  25  -7.773  -5.163  10.727
  192    HA   ALA  25           HA       ALA  25  -8.105  -4.374  13.558
  193    HB1  ALA  25           HB1      ALA  25  -5.754  -4.931  14.075
  194    HB2  ALA  25           HB2      ALA  25  -6.595  -6.393  13.512
  195    HB3  ALA  25           HB3      ALA  25  -5.504  -5.517  12.420
  196    H    LEU  26           H        LEU  26  -7.412  -2.357  14.061
  197    HA   LEU  26           HA       LEU  26  -6.467  -0.549  11.873
  198    HB2  LEU  26           HB2      LEU  26  -8.673  -0.272  13.208
  199    HB3  LEU  26           HB3      LEU  26  -7.688   0.090  14.599
  200    HG   LEU  26           HG       LEU  26  -8.492   2.110  13.759
  201   HD11  LEU  26          HD11      LEU  26  -5.671   2.122  12.642
  202   HD12  LEU  26          HD12      LEU  26  -6.604   3.478  13.303
  203   HD13  LEU  26          HD13      LEU  26  -6.055   2.180  14.376
  204   HD21  LEU  26          HD21      LEU  26  -8.343   2.898  11.476
  205   HD22  LEU  26          HD22      LEU  26  -7.367   1.507  11.001
  206   HD23  LEU  26          HD23      LEU  26  -9.078   1.293  11.462
  207    H    TYR  27           H        TYR  27  -4.308  -0.118  11.925
  208    HA   TYR  27           HA       TYR  27  -2.625  -0.727  14.221
  209    HB2  TYR  27           HB2      TYR  27  -2.174  -1.116  11.787
  210    HB3  TYR  27           HB3      TYR  27  -1.995   0.606  11.574
  211    HD1  TYR  27           HD2      TYR  27  -0.601  -2.398  13.314
  212    HD2  TYR  27           HD1      TYR  27   0.138   1.606  11.955
  213    HE1  TYR  27           HE2      TYR  27   1.835  -2.748  13.633
  214    HE2  TYR  27           HE1      TYR  27   2.584   1.270  12.242
  215    HH   TYR  27           HH       TYR  27   3.952  -1.842  13.346
  216    H    ILE  28           H        ILE  28  -3.291   0.605  15.896
  217    HA   ILE  28           HA       ILE  28  -3.600   3.508  15.579
  218    HB   ILE  28           HB       ILE  28  -3.852   3.505  18.084
  219   HG12  ILE  28          HG12      ILE  28  -3.984   0.475  17.955
  220   HG13  ILE  28          HG13      ILE  28  -2.490   1.310  18.371
  221   HG21  ILE  28          HG21      ILE  28  -5.715   1.630  16.583
  222   HG22  ILE  28          HG22      ILE  28  -6.100   2.626  18.010
  223   HG23  ILE  28          HG23      ILE  28  -5.728   3.403  16.476
  224   HD11  ILE  28          HD11      ILE  28  -3.780   0.628  20.372
  225   HD12  ILE  28          HD12      ILE  28  -3.505   2.382  20.292
  226   HD13  ILE  28          HD13      ILE  28  -5.097   1.709  19.884
  227    H    GLY  29           H        GLY  29  -0.862   1.545  16.386
  228    HA2  GLY  29           HA2      GLY  29   0.807   3.965  16.720
  229    HA3  GLY  29           HA3      GLY  29   0.786   2.824  18.066
  230    H    ASP  30           H        ASP  30   3.160   3.161  17.085
  231    HA   ASP  30           HA       ASP  30   3.850   1.524  14.835
  232    HB2  ASP  30           HB2      ASP  30   5.192   3.434  15.501
  233    HB3  ASP  30           HB3      ASP  30   5.533   2.711  17.073
  234    H    GLY  31           H        GLY  31   2.757  -0.403  15.327
  235    HA2  GLY  31           HA2      GLY  31   3.336  -2.754  15.634
  236    HA3  GLY  31           HA3      GLY  31   4.085  -2.338  17.190
  237    H    TYR  32           H        TYR  32   1.412  -0.485  17.273
  238    HA   TYR  32           HA       TYR  32  -0.088  -2.553  18.814
  239    HB2  TYR  32           HB2      TYR  32   0.006   0.471  19.008
  240    HB3  TYR  32           HB3      TYR  32  -1.147  -0.523  19.885
  241    HD1  TYR  32           HD2      TYR  32  -0.333  -2.293  21.503
  242    HD2  TYR  32           HD1      TYR  32   2.283   0.689  19.804
  243    HE1  TYR  32           HE2      TYR  32   1.320  -2.722  23.307
  244    HE2  TYR  32           HE1      TYR  32   3.945   0.257  21.606
  245    HH   TYR  32           HH       TYR  32   3.369  -2.155  24.195
  246    H    VAL  33           H        VAL  33  -2.240  -2.980  18.559
  247    HA   VAL  33           HA       VAL  33  -3.678  -1.635  16.332
  248    HB   VAL  33           HB       VAL  33  -4.564  -3.867  15.624
  249   HG11  VAL  33          HG11      VAL  33  -2.581  -4.539  14.322
  250   HG12  VAL  33          HG12      VAL  33  -2.925  -2.819  14.242
  251   HG13  VAL  33          HG13      VAL  33  -1.591  -3.406  15.269
  252   HG21  VAL  33          HG21      VAL  33  -3.322  -5.913  16.108
  253   HG22  VAL  33          HG22      VAL  33  -2.259  -5.044  17.224
  254   HG23  VAL  33          HG23      VAL  33  -3.976  -5.247  17.611
  255    H    ILE  34           H        ILE  34  -5.857  -1.652  16.344
  256    HA   ILE  34           HA       ILE  34  -7.291  -2.747  18.758
  257    HB   ILE  34           HB       ILE  34  -8.099  -0.512  16.848
  258   HG12  ILE  34          HG12      ILE  34  -6.420   0.300  18.349
  259   HG13  ILE  34          HG13      ILE  34  -7.975   0.975  18.808
  260   HG21  ILE  34          HG21      ILE  34 -10.036  -0.207  18.429
  261   HG22  ILE  34          HG22      ILE  34 -10.089  -1.705  17.503
  262   HG23  ILE  34          HG23      ILE  34  -9.588  -1.743  19.207
  263   HD11  ILE  34          HD11      ILE  34  -6.847   0.437  20.837
  264   HD12  ILE  34          HD12      ILE  34  -8.031  -0.863  20.645
  265   HD13  ILE  34          HD13      ILE  34  -6.331  -1.144  20.223
  266    H    HIS  35           H        HIS  35  -8.542  -4.543  18.281
  267    HA   HIS  35           HA       HIS  35  -9.179  -5.100  15.410
  268    HB2  HIS  35           HB2      HIS  35  -8.188  -7.310  15.587
  269    HB3  HIS  35           HB3      HIS  35  -6.967  -6.096  15.961
  270    HD1  HIS  35           HD1      HIS  35  -8.651  -9.104  17.506
  271    HD2  HIS  35           HD2      HIS  35  -6.324  -5.796  18.669
  272    HE1  HIS  35           HE1      HIS  35  -7.766  -9.629  19.830
  273    H    LEU  36           H        LEU  36 -10.886  -6.528  15.037
  274    HA   LEU  36           HA       LEU  36 -12.753  -6.833  17.314
  275    HB2  LEU  36           HB2      LEU  36 -13.556  -5.868  15.207
  276    HB3  LEU  36           HB3      LEU  36 -13.021  -7.288  14.309
  277    HG   LEU  36           HG       LEU  36 -14.691  -8.689  15.508
  278   HD11  LEU  36          HD11      LEU  36 -16.490  -7.487  16.823
  279   HD12  LEU  36          HD12      LEU  36 -14.923  -7.554  17.632
  280   HD13  LEU  36          HD13      LEU  36 -15.449  -6.053  16.841
  281   HD21  LEU  36          HD21      LEU  36 -16.666  -7.754  14.389
  282   HD22  LEU  36          HD22      LEU  36 -15.866  -6.169  14.249
  283   HD23  LEU  36          HD23      LEU  36 -15.227  -7.574  13.368
  284    H    ALA  37           H        ALA  37 -12.707  -8.609  18.504
  285    HA   ALA  37           HA       ALA  37 -11.639 -11.167  17.520
  286    HB1  ALA  37           HB1      ALA  37 -12.980 -10.378  20.149
  287    HB2  ALA  37           HB2      ALA  37 -12.177 -11.925  19.813
  288    HB3  ALA  37           HB3      ALA  37 -11.232 -10.421  19.842
  289    HA   PRO  38           HA       PRO  38 -15.577 -11.966  15.717
  290    HB2  PRO  38           HB2      PRO  38 -15.380 -14.613  14.990
  291    HB3  PRO  38           HB3      PRO  38 -14.415 -13.308  14.236
  292    HG2  PRO  38           HG2      PRO  38 -13.601 -15.156  16.508
  293    HG3  PRO  38           HG3      PRO  38 -12.696 -14.794  15.001
  294    HD2  PRO  38           HD2      PRO  38 -12.167 -13.500  17.325
  295    HD3  PRO  38           HD3      PRO  38 -12.122 -12.629  15.758
  296    HA   PRO  39           HA       PRO  39 -18.327 -13.782  18.732
  297    HB2  PRO  39           HB2      PRO  39 -20.610 -14.191  17.305
  298    HB3  PRO  39           HB3      PRO  39 -19.966 -12.555  17.600
  299    HG2  PRO  39           HG2      PRO  39 -19.614 -14.287  15.138
  300    HG3  PRO  39           HG3      PRO  39 -20.079 -12.558  15.212
  301    HD2  PRO  39           HD2      PRO  39 -17.505 -13.405  14.752
  302    HD3  PRO  39           HD3      PRO  39 -17.878 -11.886  15.616
  303    H    SER  40           H        SER  40 -17.218 -15.745  16.057
  304    HA   SER  40           HA       SER  40 -17.603 -18.147  17.617
  305    HB2  SER  40           HB2      SER  40 -19.844 -17.783  16.415
  306    HB3  SER  40           HB3      SER  40 -18.965 -18.104  14.910
  307    HG   SER  40           HG       SER  40 -19.842 -20.026  15.710
  308    H    GLU  41           H        GLU  41 -16.391 -19.893  16.903
  309    HA   GLU  41           HA       GLU  41 -14.081 -19.244  15.215
  310    HB2  GLU  41           HB2      GLU  41 -14.846 -21.698  16.849
  311    HB3  GLU  41           HB3      GLU  41 -13.338 -21.557  15.951
  312    HG2  GLU  41           HG2      GLU  41 -14.222 -19.778  18.249
  313    HG3  GLU  41           HG3      GLU  41 -12.975 -21.017  18.297
  314    H    TYR  42           H        TYR  42 -13.225 -21.071  13.793
  315    HA   TYR  42           HA       TYR  42 -14.665 -21.344  11.435
  316    HB2  TYR  42           HB2      TYR  42 -12.331 -21.632  11.442
  317    HB3  TYR  42           HB3      TYR  42 -12.382 -22.835  12.714
  318    HD1  TYR  42           HD2      TYR  42 -13.723 -22.417   9.197
  319    HD2  TYR  42           HD1      TYR  42 -11.925 -25.023  12.129
  320    HE1  TYR  42           HE2      TYR  42 -13.676 -24.250   7.530
  321    HE2  TYR  42           HE1      TYR  42 -11.850 -26.861  10.446
  322    HH   TYR  42           HH       TYR  42 -13.106 -26.437   7.113
  323    HA   PRO  43           HA       PRO  43 -17.851 -24.137  12.769
  324    HB2  PRO  43           HB2      PRO  43 -19.042 -24.802  10.368
  325    HB3  PRO  43           HB3      PRO  43 -19.239 -23.239  11.221
  326    HG2  PRO  43           HG2      PRO  43 -17.307 -23.911   8.977
  327    HG3  PRO  43           HG3      PRO  43 -18.414 -22.502   9.108
  328    HD2  PRO  43           HD2      PRO  43 -15.835 -22.264   9.793
  329    HD3  PRO  43           HD3      PRO  43 -17.086 -21.511  10.821
  330    H    GLY  44           H        GLY  44 -15.385 -25.340  10.513
  331    HA2  GLY  44           HA2      GLY  44 -16.148 -28.135  10.743
  332    HA3  GLY  44           HA3      GLY  44 -14.605 -27.478  10.144
  333    H    ALA  45           H        ALA  45 -14.807 -26.059  12.977
  334    HA   ALA  45           HA       ALA  45 -14.014 -26.244  15.077
  335    HB1  ALA  45           HB1      ALA  45 -14.901 -29.158  14.909
  336    HB2  ALA  45           HB2      ALA  45 -14.766 -28.150  16.360
  337    HB3  ALA  45           HB3      ALA  45 -15.997 -27.782  15.141
  338    H    GLY  46           H        GLY  46 -12.181 -27.384  12.733
  339    HA2  GLY  46           HA2      GLY  46 -10.278 -29.057  14.206
  340    HA3  GLY  46           HA3      GLY  46 -10.206 -28.568  12.495
  341    H    SER  47           H        SER  47 -10.562 -25.715  14.207
  342    HA   SER  47           HA       SER  47  -7.709 -25.077  13.842
  343    HB2  SER  47           HB2      SER  47  -8.429 -22.767  14.352
  344    HB3  SER  47           HB3      SER  47  -9.292 -23.494  12.993
  345    HG   SER  47           HG       SER  47 -10.252 -22.691  15.487
  346    H    SER  48           H        SER  48  -6.229 -24.550  15.456
  347    HA   SER  48           HA       SER  48  -6.444 -25.719  17.975
  348    HB2  SER  48           HB2      SER  48  -4.662 -23.390  17.186
  349    HB3  SER  48           HB3      SER  48  -4.365 -24.556  18.490
  350    HG   SER  48           HG       SER  48  -3.201 -25.094  16.588
  351    H    SER  49           H        SER  49  -7.909 -22.763  17.079
  352    HA   SER  49           HA       SER  49  -8.091 -21.456  19.655
  353    HB2  SER  49           HB2      SER  49  -9.923 -20.230  18.516
  354    HB3  SER  49           HB3      SER  49  -8.432 -20.247  17.570
  355    HG   SER  49           HG       SER  49 -10.568 -20.703  16.535
  356    H    VAL  50           H        VAL  50  -9.636 -24.355  18.416
  357    HA   VAL  50           HA       VAL  50 -11.494 -24.368  20.715
  358    HB   VAL  50           HB       VAL  50 -12.761 -23.140  19.101
  359   HG11  VAL  50          HG11      VAL  50 -12.481 -25.457  17.142
  360   HG12  VAL  50          HG12      VAL  50 -13.469 -24.005  16.926
  361   HG13  VAL  50          HG13      VAL  50 -11.711 -23.860  16.983
  362   HG21  VAL  50          HG21      VAL  50 -14.770 -24.422  19.037
  363   HG22  VAL  50          HG22      VAL  50 -13.896 -25.956  19.173
  364   HG23  VAL  50          HG23      VAL  50 -13.925 -24.816  20.541
  365    H    PHE  51           H        PHE  51 -11.916 -26.248  21.542
  366    HA   PHE  51           HA       PHE  51 -11.669 -28.748  19.935
  367    HB2  PHE  51           HB2      PHE  51 -10.564 -28.280  22.743
  368    HB3  PHE  51           HB3      PHE  51 -10.559 -29.814  21.885
  369    HD1  PHE  51           HD1      PHE  51  -9.224 -30.041  19.720
  370    HD2  PHE  51           HD2      PHE  51  -8.785 -26.697  22.405
  371    HE1  PHE  51           HE1      PHE  51  -7.020 -29.522  18.708
  372    HE2  PHE  51           HE2      PHE  51  -6.583 -26.180  21.392
  373    HZ   PHE  51           HZ       PHE  51  -5.689 -27.591  19.547
  374    H    SER  52           H        SER  52 -13.949 -26.964  21.155
  375    HA   SER  52           HA       SER  52 -15.685 -29.115  22.105
  376    HB2  SER  52           HB2      SER  52 -16.082 -28.165  24.342
  377    HB3  SER  52           HB3      SER  52 -14.426 -28.755  24.146
  378    HG   SER  52           HG       SER  52 -14.343 -26.757  25.145
  379    H    VAL  53           H        VAL  53 -15.840 -25.691  23.012
  380    HA   VAL  53           HA       VAL  53 -18.406 -25.413  21.477
  381    HB   VAL  53           HB       VAL  53 -17.357 -23.809  23.847
  382   HG11  VAL  53          HG11      VAL  53 -19.653 -22.829  23.896
  383   HG12  VAL  53          HG12      VAL  53 -18.782 -22.385  22.427
  384   HG13  VAL  53          HG13      VAL  53 -20.030 -23.653  22.369
  385   HG21  VAL  53          HG21      VAL  53 -19.595 -25.878  23.653
  386   HG22  VAL  53          HG22      VAL  53 -18.049 -26.079  24.504
  387   HG23  VAL  53          HG23      VAL  53 -19.221 -24.888  25.083
  388    H    LEU  54           H        LEU  54 -18.477 -24.185  19.734
  389    HA   LEU  54           HA       LEU  54 -16.127 -22.634  18.877
  390    HB2  LEU  54           HB2      LEU  54 -18.771 -23.410  17.556
  391    HB3  LEU  54           HB3      LEU  54 -17.571 -22.376  16.801
  392    HG   LEU  54           HG       LEU  54 -15.890 -24.208  16.907
  393   HD11  LEU  54          HD11      LEU  54 -16.750 -26.567  17.145
  394   HD12  LEU  54          HD12      LEU  54 -16.739 -25.694  18.669
  395   HD13  LEU  54          HD13      LEU  54 -18.268 -25.916  17.791
  396   HD21  LEU  54          HD21      LEU  54 -17.232 -23.691  14.912
  397   HD22  LEU  54          HD22      LEU  54 -16.859 -25.422  15.002
  398   HD23  LEU  54          HD23      LEU  54 -18.481 -24.841  15.436
  399    H    SER  55           H        SER  55 -19.394 -21.879  20.027
  400    HA   SER  55           HA       SER  55 -19.272 -19.149  18.940
  401    HB2  SER  55           HB2      SER  55 -21.650 -19.072  19.671
  402    HB3  SER  55           HB3      SER  55 -21.264 -20.350  18.508
  403    HG   SER  55           HG       SER  55 -22.592 -21.097  20.246
  404    H    ASN  56           H        ASN  56 -19.732 -17.280  20.062
  405    HA   ASN  56           HA       ASN  56 -19.903 -17.048  22.925
  406    HB2  ASN  56           HB2      ASN  56 -17.391 -17.555  22.387
  407    HB3  ASN  56           HB3      ASN  56 -17.340 -15.945  21.697
  408   HD21  ASN  56          HD22      ASN  56 -17.893 -17.833  24.695
  409   HD22  ASN  56          HD21      ASN  56 -17.601 -16.493  25.788
  410    H    SER  57           H        SER  57 -18.659 -14.225  22.636
  411    HA   SER  57           HA       SER  57 -20.634 -12.924  20.783
  412    HB2  SER  57           HB2      SER  57 -19.532 -11.771  23.370
  413    HB3  SER  57           HB3      SER  57 -20.703 -11.022  22.265
  414    HG   SER  57           HG       SER  57 -21.610 -12.063  24.183
  415    H    ALA  58           H        ALA  58 -19.770 -10.896  19.779
  416    HA   ALA  58           HA       ALA  58 -16.876 -11.077  19.248
  417    HB1  ALA  58           HB1      ALA  58 -18.918  -9.110  18.139
  418    HB2  ALA  58           HB2      ALA  58 -17.305  -9.489  17.494
  419    HB3  ALA  58           HB3      ALA  58 -18.594 -10.697  17.419
  420    H    GLU  59           H        GLU  59 -15.423  -9.322  19.619
  421    HA   GLU  59           HA       GLU  59 -16.269  -7.138  21.432
  422    HB2  GLU  59           HB2      GLU  59 -15.792  -9.109  22.882
  423    HB3  GLU  59           HB3      GLU  59 -14.146  -9.173  22.232
  424    HG2  GLU  59           HG2      GLU  59 -13.693  -6.916  23.144
  425    HG3  GLU  59           HG3      GLU  59 -15.342  -6.817  23.764
  426    H    VAL  60           H        VAL  60 -15.137  -5.311  21.058
  427    HA   VAL  60           HA       VAL  60 -12.848  -5.365  19.170
  428    HB   VAL  60           HB       VAL  60 -14.094  -2.964  20.549
  429   HG11  VAL  60          HG11      VAL  60 -11.778  -2.620  19.656
  430   HG12  VAL  60          HG12      VAL  60 -12.308  -3.205  18.077
  431   HG13  VAL  60          HG13      VAL  60 -12.967  -1.691  18.738
  432   HG21  VAL  60          HG21      VAL  60 -15.808  -4.035  19.112
  433   HG22  VAL  60          HG22      VAL  60 -15.249  -2.520  18.398
  434   HG23  VAL  60          HG23      VAL  60 -14.658  -4.064  17.759
  435    H    LYS  61           H        LYS  61 -10.819  -5.532  19.869
  436    HA   LYS  61           HA       LYS  61 -10.113  -4.981  22.741
  437    HB2  LYS  61           HB2      LYS  61  -9.324  -7.291  20.909
  438    HB3  LYS  61           HB3      LYS  61  -8.671  -7.017  22.529
  439    HG2  LYS  61           HG2      LYS  61 -11.037  -7.190  23.426
  440    HG3  LYS  61           HG3      LYS  61 -11.577  -7.596  21.794
  441    HD2  LYS  61           HD2      LYS  61 -11.376  -9.649  22.925
  442    HD3  LYS  61           HD3      LYS  61  -9.992  -9.570  21.818
  443    HE2  LYS  61           HE2      LYS  61  -8.533  -8.845  23.709
  444    HE3  LYS  61           HE3      LYS  61  -9.927  -8.859  24.796
  445    HZ1  LYS  61           HZ1      LYS  61  -8.825 -11.256  23.418
  446    HZ2  LYS  61           HZ2      LYS  61  -8.642 -10.895  25.003
  447    HZ3  LYS  61           HZ3      LYS  61 -10.123 -11.255  24.422
  448    H    ARG  62           H        ARG  62  -7.865  -4.556  23.210
  449    HA   ARG  62           HA       ARG  62  -6.266  -3.389  20.964
  450    HB2  ARG  62           HB2      ARG  62  -6.778  -1.776  22.729
  451    HB3  ARG  62           HB3      ARG  62  -6.098  -2.844  23.958
  452    HG2  ARG  62           HG2      ARG  62  -3.866  -2.612  23.014
  453    HG3  ARG  62           HG3      ARG  62  -4.493  -1.754  21.597
  454    HD2  ARG  62           HD2      ARG  62  -5.171   0.132  22.996
  455    HD3  ARG  62           HD3      ARG  62  -4.630  -0.722  24.460
  456    HE   ARG  62           HE       ARG  62  -2.399  -0.741  22.849
  457   HH11  ARG  62          HH11      ARG  62  -4.383   1.869  24.174
  458   HH12  ARG  62          HH12      ARG  62  -3.059   2.994  24.191
  459   HH21  ARG  62          HH21      ARG  62  -0.720   0.754  22.925
  460   HH22  ARG  62          HH22      ARG  62  -1.015   2.364  23.493
  461    H    GLU  63           H        GLU  63  -4.230  -4.139  20.558
  462    HA   GLU  63           HA       GLU  63  -2.731  -5.958  22.225
  463    HB2  GLU  63           HB2      GLU  63  -4.634  -7.404  21.431
  464    HB3  GLU  63           HB3      GLU  63  -4.137  -7.086  19.775
  465    HG2  GLU  63           HG2      GLU  63  -3.526  -9.315  20.733
  466    HG3  GLU  63           HG3      GLU  63  -2.200  -8.422  20.017
  467    H    ARG  64           H        ARG  64  -0.920  -6.978  20.684
  468    HA   ARG  64           HA       ARG  64   0.179  -4.800  18.979
  469    HB2  ARG  64           HB2      ARG  64   1.395  -7.331  20.128
  470    HB3  ARG  64           HB3      ARG  64   2.283  -6.155  19.160
  471    HG2  ARG  64           HG2      ARG  64   2.367  -4.559  20.823
  472    HG3  ARG  64           HG3      ARG  64   0.854  -5.053  21.578
  473    HD2  ARG  64           HD2      ARG  64   3.438  -6.654  21.733
  474    HD3  ARG  64           HD3      ARG  64   2.835  -5.558  22.988
  475    HE   ARG  64           HE       ARG  64   0.712  -7.319  22.440
  476   HH11  ARG  64          HH11      ARG  64   3.962  -7.774  23.802
  477   HH12  ARG  64          HH12      ARG  64   3.459  -9.216  24.638
  478   HH21  ARG  64          HH21      ARG  64   0.172  -9.019  23.411
  479   HH22  ARG  64          HH22      ARG  64   1.266  -9.954  24.434
  480    H    LEU  65           H        LEU  65   0.683  -5.120  16.783
  481    HA   LEU  65           HA       LEU  65  -1.030  -6.794  15.278
  482    HB2  LEU  65           HB2      LEU  65   0.084  -4.754  14.390
  483    HB3  LEU  65           HB3      LEU  65   1.648  -5.556  14.476
  484    HG   LEU  65           HG       LEU  65   0.853  -7.232  12.780
  485   HD11  LEU  65          HD11      LEU  65  -1.618  -7.045  13.154
  486   HD12  LEU  65          HD12      LEU  65  -1.568  -5.401  12.487
  487   HD13  LEU  65          HD13      LEU  65  -1.170  -6.791  11.463
  488   HD21  LEU  65          HD21      LEU  65   0.986  -5.719  10.861
  489   HD22  LEU  65          HD22      LEU  65   0.633  -4.328  11.907
  490   HD23  LEU  65          HD23      LEU  65   2.143  -5.247  12.113
  491    H    GLU  66           H        GLU  66   2.466  -7.341  15.949
  492    HA   GLU  66           HA       GLU  66   2.672  -9.833  14.685
  493    HB2  GLU  66           HB2      GLU  66   4.683 -10.188  15.973
  494    HB3  GLU  66           HB3      GLU  66   4.584  -8.516  15.426
  495    HG2  GLU  66           HG2      GLU  66   3.809  -7.840  17.712
  496    HG3  GLU  66           HG3      GLU  66   3.964  -9.519  18.244
  497    H    ASP  67           H        ASP  67   1.119  -9.193  17.797
  498    HA   ASP  67           HA       ASP  67   1.075 -12.055  18.539
  499    HB2  ASP  67           HB2      ASP  67   1.338 -10.273  20.254
  500    HB3  ASP  67           HB3      ASP  67  -0.256  -9.647  19.838
  501    H    VAL  68           H        VAL  68  -1.248  -9.516  17.453
  502    HA   VAL  68           HA       VAL  68  -3.496 -11.249  17.191
  503    HB   VAL  68           HB       VAL  68  -2.922  -8.827  15.459
  504   HG11  VAL  68          HG11      VAL  68  -5.542 -10.290  16.060
  505   HG12  VAL  68          HG12      VAL  68  -5.398  -8.763  15.161
  506   HG13  VAL  68          HG13      VAL  68  -4.717 -10.253  14.491
  507   HG21  VAL  68          HG21      VAL  68  -2.962  -8.159  17.795
  508   HG22  VAL  68          HG22      VAL  68  -4.503  -7.692  17.074
  509   HG23  VAL  68          HG23      VAL  68  -4.417  -9.135  18.105
  510    H    VAL  69           H        VAL  69  -0.885 -10.559  14.898
  511    HA   VAL  69           HA       VAL  69  -2.013 -12.256  12.819
  512    HB   VAL  69           HB       VAL  69   0.683 -10.895  13.141
  513   HG11  VAL  69          HG11      VAL  69  -0.476 -12.226  10.659
  514   HG12  VAL  69          HG12      VAL  69   1.012 -11.254  10.735
  515   HG13  VAL  69          HG13      VAL  69   0.938 -12.796  11.577
  516   HG21  VAL  69          HG21      VAL  69  -0.228  -9.243  11.587
  517   HG22  VAL  69          HG22      VAL  69  -1.713 -10.196  11.375
  518   HG23  VAL  69          HG23      VAL  69  -1.383  -9.432  12.927
  519    H    GLY  70           H        GLY  70   0.813 -12.636  15.111
  520    HA2  GLY  70           HA2      GLY  70   2.025 -14.518  15.665
  521    HA3  GLY  70           HA3      GLY  70   0.655 -15.516  15.134
  522    H    GLY  71           H        GLY  71   1.120 -16.844  13.517
  523    HA2  GLY  71           HA2      GLY  71   3.315 -16.299  11.573
  524    HA3  GLY  71           HA3      GLY  71   2.484 -17.844  11.861
  525    H    CYS  72           H        CYS  72   0.044 -15.570  11.609
  526    HA   CYS  72           HA       CYS  72  -0.850 -16.658   9.104
  527    HB2  CYS  72           HB2      CYS  72  -1.907 -14.320  10.771
  528    HB3  CYS  72           HB3      CYS  72  -2.813 -15.157   9.511
  529    HG   CYS  72           HG       CYS  72  -2.976 -17.465  10.612
  530    H    CYS  73           H        CYS  73  -1.715 -15.358   7.307
  531    HA   CYS  73           HA       CYS  73   0.172 -13.312   6.312
  532    HB2  CYS  73           HB2      CYS  73  -2.343 -14.537   5.071
  533    HB3  CYS  73           HB3      CYS  73  -1.213 -13.458   4.244
  534    HG   CYS  73           HG       CYS  73   0.920 -14.993   4.551
  535    H    TYR  74           H        TYR  74  -0.517 -11.213   5.603
  536    HA   TYR  74           HA       TYR  74  -3.095 -10.157   6.355
  537    HB2  TYR  74           HB2      TYR  74  -2.447  -8.596   8.031
  538    HB3  TYR  74           HB3      TYR  74  -1.962 -10.183   8.573
  539    HD1  TYR  74           HD1      TYR  74   0.505 -10.862   8.391
  540    HD2  TYR  74           HD2      TYR  74  -0.853  -6.817   7.776
  541    HE1  TYR  74           HE1      TYR  74   2.802 -10.014   8.846
  542    HE2  TYR  74           HE2      TYR  74   1.420  -5.964   8.248
  543    HH   TYR  74           HH       TYR  74   3.554  -6.506   8.831
  544    H    ARG  75           H        ARG  75  -3.479  -7.955   5.688
  545    HA   ARG  75           HA       ARG  75  -1.382  -6.592   4.099
  546    HB2  ARG  75           HB2      ARG  75  -2.796  -8.414   2.721
  547    HB3  ARG  75           HB3      ARG  75  -4.018  -7.157   2.709
  548    HG2  ARG  75           HG2      ARG  75  -2.841  -6.822   0.705
  549    HG3  ARG  75           HG3      ARG  75  -2.138  -5.607   1.774
  550    HD2  ARG  75           HD2      ARG  75  -0.294  -7.330   2.293
  551    HD3  ARG  75           HD3      ARG  75  -0.981  -8.321   0.991
  552    HE   ARG  75           HE       ARG  75  -0.539  -5.734  -0.061
  553   HH11  ARG  75          HH11      ARG  75   1.397  -8.491   1.027
  554   HH12  ARG  75          HH12      ARG  75   2.875  -7.823   0.386
  555   HH21  ARG  75          HH21      ARG  75   1.367  -5.060  -1.079
  556   HH22  ARG  75          HH22      ARG  75   2.809  -6.025  -0.945
  557    H    VAL  76           H        VAL  76  -1.686  -4.363   3.959
  558    HA   VAL  76           HA       VAL  76  -3.865  -3.096   5.483
  559    HB   VAL  76           HB       VAL  76  -1.737  -1.861   3.697
  560   HG11  VAL  76          HG11      VAL  76  -2.382   0.314   4.787
  561   HG12  VAL  76          HG12      VAL  76  -3.662  -0.324   3.755
  562   HG13  VAL  76          HG13      VAL  76  -3.781  -0.497   5.518
  563   HG21  VAL  76          HG21      VAL  76  -0.677  -1.141   5.765
  564   HG22  VAL  76          HG22      VAL  76  -2.000  -1.803   6.736
  565   HG23  VAL  76          HG23      VAL  76  -0.906  -2.891   5.851
  566    H    ASN  77           H        ASN  77  -5.761  -2.338   4.695
  567    HA   ASN  77           HA       ASN  77  -6.210  -1.799   1.866
  568    HB2  ASN  77           HB2      ASN  77  -6.375  -4.309   1.992
  569    HB3  ASN  77           HB3      ASN  77  -7.717  -4.140   3.116
  570   HD21  ASN  77          HD22      ASN  77  -6.620  -3.099  -0.182
  571   HD22  ASN  77          HD21      ASN  77  -8.232  -3.107  -0.873
  572    H    ASN  78           H        ASN  78  -6.480   0.247   3.124
  573    HA   ASN  78           HA       ASN  78  -8.911   0.497   4.722
  574    HB2  ASN  78           HB2      ASN  78  -6.690   1.698   5.185
  575    HB3  ASN  78           HB3      ASN  78  -7.129   2.812   3.893
  576   HD21  ASN  78          HD22      ASN  78  -6.827   4.020   6.183
  577   HD22  ASN  78          HD21      ASN  78  -8.360   4.340   7.005
  578    H    SER  79           H        SER  79  -9.985  -0.416   2.715
  579    HA   SER  79           HA       SER  79 -10.378   0.664   0.294
  580    HB2  SER  79           HB2      SER  79 -12.627  -0.397   0.264
  581    HB3  SER  79           HB3      SER  79 -11.334  -1.434   0.887
  582    HG   SER  79           HG       SER  79 -13.229  -1.519   2.181
  583    H    LEU  80           H        LEU  80 -12.925   1.458   2.668
  584    HA   LEU  80           HA       LEU  80 -14.136   3.446   1.132
  585    HB2  LEU  80           HB2      LEU  80 -14.970   2.287   3.250
  586    HB3  LEU  80           HB3      LEU  80 -13.931   3.402   4.157
  587    HG   LEU  80           HG       LEU  80 -15.267   5.306   3.118
  588   HD11  LEU  80          HD11      LEU  80 -17.073   2.953   2.362
  589   HD12  LEU  80          HD12      LEU  80 -17.527   4.661   2.277
  590   HD13  LEU  80          HD13      LEU  80 -16.231   4.038   1.226
  591   HD21  LEU  80          HD21      LEU  80 -16.680   3.307   4.906
  592   HD22  LEU  80          HD22      LEU  80 -15.609   4.623   5.435
  593   HD23  LEU  80          HD23      LEU  80 -17.166   5.003   4.689
  594    H    ASP  81           H        ASP  81 -11.197   3.785   3.033
  595    HA   ASP  81           HA       ASP  81 -11.323   6.689   3.125
  596    HB2  ASP  81           HB2      ASP  81 -10.150   5.083   4.780
  597    HB3  ASP  81           HB3      ASP  81  -8.838   5.030   3.590
  598    H    HIS  82           H        HIS  82  -9.473   4.269   1.206
  599    HA   HIS  82           HA       HIS  82  -8.451   6.413  -0.527
  600    HB2  HIS  82           HB2      HIS  82  -7.208   4.761  -1.650
  601    HB3  HIS  82           HB3      HIS  82  -7.057   4.525   0.079
  602    HD1  HIS  82           HD1      HIS  82  -9.234   2.929  -2.770
  603    HD2  HIS  82           HD2      HIS  82  -7.004   2.032   0.679
  604    HE1  HIS  82           HE1      HIS  82  -9.213   0.394  -2.576
  605    H    GLU  83           H        GLU  83 -11.426   4.732  -0.469
  606    HA   GLU  83           HA       GLU  83 -12.134   4.875  -3.223
  607    HB2  GLU  83           HB2      GLU  83 -13.700   4.862  -0.668
  608    HB3  GLU  83           HB3      GLU  83 -14.517   5.217  -2.179
  609    HG2  GLU  83           HG2      GLU  83 -12.829   2.725  -1.838
  610    HG3  GLU  83           HG3      GLU  83 -14.543   2.789  -1.425
  611    H    TYR  84           H        TYR  84 -12.020   7.430  -0.782
  612    HA   TYR  84           HA       TYR  84 -12.579   9.417  -2.932
  613    HB2  TYR  84           HB2      TYR  84 -14.068  10.155  -0.534
  614    HB3  TYR  84           HB3      TYR  84 -14.540  10.183  -2.206
  615    HD1  TYR  84           HD2      TYR  84 -15.783   8.222  -3.180
  616    HD2  TYR  84           HD1      TYR  84 -14.645   8.399   0.976
  617    HE1  TYR  84           HE2      TYR  84 -17.468   6.469  -2.640
  618    HE2  TYR  84           HE1      TYR  84 -16.332   6.688   1.524
  619    HH   TYR  84           HH       TYR  84 -17.902   5.190   0.690
  620    H    GLN  85           H        GLN  85 -11.197   8.996   0.357
  621    HA   GLN  85           HA       GLN  85 -11.523  11.933   0.637
  622    HB2  GLN  85           HB2      GLN  85 -12.252  11.443   2.899
  623    HB3  GLN  85           HB3      GLN  85 -13.236  10.684   1.651
  624    HG2  GLN  85           HG2      GLN  85 -12.157   8.516   2.035
  625    HG3  GLN  85           HG3      GLN  85 -11.087   9.244   3.247
  626   HE21  GLN  85          HE22      GLN  85 -11.781   7.803   4.891
  627   HE22  GLN  85          HE21      GLN  85 -13.448   7.768   5.481
  628    HA   PRO  86           HA       PRO  86  -7.375  12.126   2.490
  629    HB2  PRO  86           HB2      PRO  86  -7.027  14.779   2.507
  630    HB3  PRO  86           HB3      PRO  86  -7.310  13.930   0.963
  631    HG2  PRO  86           HG2      PRO  86  -9.394  15.349   2.677
  632    HG3  PRO  86           HG3      PRO  86  -9.064  15.587   0.929
  633    HD2  PRO  86           HD2      PRO  86 -11.001  13.881   1.907
  634    HD3  PRO  86           HD3      PRO  86 -10.123  13.607   0.364
  635    H    ARG  87           H        ARG  87  -9.069  11.213   4.376
  636    HA   ARG  87           HA       ARG  87  -9.996  12.862   6.381
  637    HB2  ARG  87           HB2      ARG  87  -9.621  10.015   5.852
  638    HB3  ARG  87           HB3      ARG  87  -9.215  10.320   7.516
  639    HG2  ARG  87           HG2      ARG  87 -11.538   9.742   7.348
  640    HG3  ARG  87           HG3      ARG  87 -11.393  11.394   7.913
  641    HD2  ARG  87           HD2      ARG  87 -11.736  10.954   4.975
  642    HD3  ARG  87           HD3      ARG  87 -13.110  10.563   6.033
  643    HE   ARG  87           HE       ARG  87 -12.053  13.233   6.489
  644   HH11  ARG  87          HH11      ARG  87 -14.353  11.387   4.438
  645   HH12  ARG  87          HH12      ARG  87 -15.265  12.824   4.100
  646   HH21  ARG  87          HH22      ARG  87 -13.336  15.006   5.962
  647   HH22  ARG  87          HH21      ARG  87 -14.715  14.805   4.936
  648    HA   PRO  88           HA       PRO  88  -6.447  13.783   9.074
  649    HB2  PRO  88           HB2      PRO  88  -7.725  14.435  11.381
  650    HB3  PRO  88           HB3      PRO  88  -7.761  15.488   9.939
  651    HG2  PRO  88           HG2      PRO  88  -9.855  13.432  10.765
  652    HG3  PRO  88           HG3      PRO  88 -10.112  15.165  10.360
  653    HD2  PRO  88           HD2      PRO  88 -10.472  13.225   8.534
  654    HD3  PRO  88           HD3      PRO  88  -9.688  14.761   8.061
  655    H    VAL  89           H        VAL  89  -5.436  11.846   9.227
  656    HA   VAL  89           HA       VAL  89  -6.599   9.433  10.064
  657    HB   VAL  89           HB       VAL  89  -3.693  10.264   9.798
  658   HG11  VAL  89          HG11      VAL  89  -3.126   7.878   9.565
  659   HG12  VAL  89          HG12      VAL  89  -3.723   8.201  11.184
  660   HG13  VAL  89          HG13      VAL  89  -4.801   7.439   9.974
  661   HG21  VAL  89          HG21      VAL  89  -4.968  10.406   7.699
  662   HG22  VAL  89          HG22      VAL  89  -3.900   9.009   7.623
  663   HG23  VAL  89          HG23      VAL  89  -5.634   8.783   7.948
  664    H    GLU  90           H        GLU  90  -5.068  11.844  12.120
  665    HA   GLU  90           HA       GLU  90  -4.705  10.261  14.474
  666    HB2  GLU  90           HB2      GLU  90  -5.497  13.203  14.319
  667    HB3  GLU  90           HB3      GLU  90  -4.762  12.372  15.694
  668    HG2  GLU  90           HG2      GLU  90  -2.759  11.886  14.206
  669    HG3  GLU  90           HG3      GLU  90  -3.498  12.944  12.990
  670    H    VAL  91           H        VAL  91  -7.622  11.765  13.099
  671    HA   VAL  91           HA       VAL  91  -9.213  11.442  15.518
  672    HB   VAL  91           HB       VAL  91 -10.166  11.912  12.666
  673   HG11  VAL  91          HG11      VAL  91 -12.184  12.880  13.756
  674   HG12  VAL  91          HG12      VAL  91 -12.013  11.157  14.114
  675   HG13  VAL  91          HG13      VAL  91 -11.569  12.364  15.339
  676   HG21  VAL  91          HG21      VAL  91  -8.605  13.707  13.415
  677   HG22  VAL  91          HG22      VAL  91 -10.261  14.308  13.310
  678   HG23  VAL  91          HG23      VAL  91  -9.557  13.911  14.892
  679    H    ILE  92           H        ILE  92  -8.672   9.513  12.575
  680    HA   ILE  92           HA       ILE  92 -10.571   7.400  13.201
  681    HB   ILE  92           HB       ILE  92  -8.070   7.490  11.459
  682   HG12  ILE  92          HG12      ILE  92 -10.993   7.394  10.594
  683   HG13  ILE  92          HG13      ILE  92 -10.204   8.928  10.919
  684   HG21  ILE  92          HG21      ILE  92 -10.176   5.293  11.712
  685   HG22  ILE  92          HG22      ILE  92  -8.956   5.382  10.428
  686   HG23  ILE  92          HG23      ILE  92  -8.449   5.161  12.100
  687   HD11  ILE  92          HD11      ILE  92  -8.545   8.569   9.200
  688   HD12  ILE  92          HD12      ILE  92  -9.202   6.948   8.840
  689   HD13  ILE  92          HD13      ILE  92 -10.178   8.386   8.538
  690    H    ILE  93           H        ILE  93  -7.062   7.765  13.917
  691    HA   ILE  93           HA       ILE  93  -6.833   5.386  15.517
  692    HB   ILE  93           HB       ILE  93  -5.326   8.042  15.495
  693   HG12  ILE  93          HG12      ILE  93  -4.537   5.258  14.528
  694   HG13  ILE  93          HG13      ILE  93  -5.180   6.524  13.493
  695   HG21  ILE  93          HG21      ILE  93  -5.069   7.147  17.755
  696   HG22  ILE  93          HG22      ILE  93  -4.626   5.550  17.107
  697   HG23  ILE  93          HG23      ILE  93  -3.569   6.960  16.883
  698   HD11  ILE  93          HD11      ILE  93  -2.524   6.654  14.972
  699   HD12  ILE  93          HD12      ILE  93  -2.757   6.420  13.248
  700   HD13  ILE  93          HD13      ILE  93  -3.236   7.963  13.988
  701    H    SER  94           H        SER  94  -7.897   8.665  16.415
  702    HA   SER  94           HA       SER  94  -8.158   8.121  19.222
  703    HB2  SER  94           HB2      SER  94  -9.682  10.138  17.523
  704    HB3  SER  94           HB3      SER  94  -9.537  10.146  19.284
  705    HG   SER  94           HG       SER  94  -7.457  10.508  17.351
  706    H    SER  95           H        SER  95 -10.545   7.928  16.539
  707    HA   SER  95           HA       SER  95 -12.733   7.020  18.097
  708    HB2  SER  95           HB2      SER  95 -12.005   6.804  15.171
  709    HB3  SER  95           HB3      SER  95 -13.511   6.122  15.822
  710    HG   SER  95           HG       SER  95 -13.842   8.253  15.101
  711    H    ALA  96           H        ALA  96 -10.074   5.132  16.550
  712    HA   ALA  96           HA       ALA  96 -11.144   2.549  17.211
  713    HB1  ALA  96           HB1      ALA  96  -8.871   1.798  16.779
  714    HB2  ALA  96           HB2      ALA  96  -9.267   3.079  15.623
  715    HB3  ALA  96           HB3      ALA  96  -8.233   3.443  17.019
  716    H    LYS  97           H        LYS  97  -8.983   4.727  19.068
  717    HA   LYS  97           HA       LYS  97  -8.946   3.082  21.442
  718    HB2  LYS  97           HB2      LYS  97  -8.337   6.025  20.991
  719    HB3  LYS  97           HB3      LYS  97  -8.077   5.174  22.524
  720    HG2  LYS  97           HG2      LYS  97  -6.595   3.528  21.349
  721    HG3  LYS  97           HG3      LYS  97  -6.743   4.474  19.867
  722    HD2  LYS  97           HD2      LYS  97  -5.556   5.432  22.506
  723    HD3  LYS  97           HD3      LYS  97  -4.654   4.958  21.058
  724    HE2  LYS  97           HE2      LYS  97  -5.774   6.804  19.782
  725    HE3  LYS  97           HE3      LYS  97  -6.590   7.311  21.275
  726    HZ1  LYS  97           HZ1      LYS  97  -4.578   8.616  20.901
  727    HZ2  LYS  97           HZ2      LYS  97  -4.409   7.731  22.262
  728    HZ3  LYS  97           HZ3      LYS  97  -3.640   7.272  20.892
  729    H    GLU  98           H        GLU  98 -11.484   5.132  20.235
  730    HA   GLU  98           HA       GLU  98 -12.903   5.043  22.806
  731    HB2  GLU  98           HB2      GLU  98 -13.633   6.191  20.099
  732    HB3  GLU  98           HB3      GLU  98 -14.765   6.097  21.454
  733    HG2  GLU  98           HG2      GLU  98 -13.192   7.402  22.868
  734    HG3  GLU  98           HG3      GLU  98 -12.107   7.586  21.489
  735    H    MET  99           H        MET  99 -13.083   3.449  19.631
  736    HA   MET  99           HA       MET  99 -15.416   1.867  20.205
  737    HB2  MET  99           HB2      MET  99 -13.219   1.714  18.119
  738    HB3  MET  99           HB3      MET  99 -14.478   0.485  18.205
  739    HG2  MET  99           HG2      MET  99 -15.017   3.463  17.915
  740    HG3  MET  99           HG3      MET  99 -14.954   2.337  16.577
  741    HE1  MET  99           HE1      MET  99 -16.520  -0.281  17.503
  742    HE2  MET  99           HE2      MET  99 -18.111   0.180  16.866
  743    HE3  MET  99           HE3      MET  99 -16.644   0.582  15.947
  744    H    VAL 100           H        VAL 100 -11.982   1.205  20.773
  745    HA   VAL 100           HA       VAL 100 -12.233  -1.513  21.472
  746    HB   VAL 100           HB       VAL 100 -10.098  -0.395  21.302
  747   HG11  VAL 100          HG11      VAL 100 -10.539   0.753  24.082
  748   HG12  VAL 100          HG12      VAL 100  -9.091   0.898  23.068
  749   HG13  VAL 100          HG13      VAL 100 -10.599   1.678  22.564
  750   HG21  VAL 100          HG21      VAL 100 -10.500  -1.801  23.970
  751   HG22  VAL 100          HG22      VAL 100 -10.293  -2.580  22.389
  752   HG23  VAL 100          HG23      VAL 100  -8.972  -1.633  23.095
  753    H    GLY 101           H        GLY 101 -13.078  -2.643  23.000
  754    HA2  GLY 101           HA2      GLY 101 -13.987  -3.126  25.162
  755    HA3  GLY 101           HA3      GLY 101 -14.309  -1.398  25.428
  756    H    GLN 102           H        GLN 102 -15.416  -1.723  22.349
  757    HA   GLN 102           HA       GLN 102 -18.184  -2.140  23.108
  758    HB2  GLN 102           HB2      GLN 102 -16.764  -1.852  20.423
  759    HB3  GLN 102           HB3      GLN 102 -18.497  -2.100  20.559
  760    HG2  GLN 102           HG2      GLN 102 -17.050   0.255  21.854
  761    HG3  GLN 102           HG3      GLN 102 -17.819   0.299  20.267
  762   HE21  GLN 102          HE22      GLN 102 -20.239  -0.151  20.188
  763   HE22  GLN 102          HE21      GLN 102 -21.175   0.267  21.613
  764    H    LYS 103           H        LYS 103 -19.496  -3.765  22.617
  765    HA   LYS 103           HA       LYS 103 -18.398  -6.388  21.687
  766    HB2  LYS 103           HB2      LYS 103 -20.346  -5.843  23.970
  767    HB3  LYS 103           HB3      LYS 103 -20.014  -7.450  23.300
  768    HG2  LYS 103           HG2      LYS 103 -17.667  -7.299  23.968
  769    HG3  LYS 103           HG3      LYS 103 -17.909  -5.653  24.591
  770    HD2  LYS 103           HD2      LYS 103 -19.571  -6.518  26.223
  771    HD3  LYS 103           HD3      LYS 103 -19.292  -8.169  25.621
  772    HE2  LYS 103           HE2      LYS 103 -16.896  -7.985  26.251
  773    HE3  LYS 103           HE3      LYS 103 -17.164  -6.338  26.832
  774    HZ1  LYS 103           HZ1      LYS 103 -18.681  -7.252  28.512
  775    HZ2  LYS 103           HZ2      LYS 103 -18.433  -8.776  27.971
  776    HZ3  LYS 103           HZ3      LYS 103 -17.206  -7.943  28.653
  777    H    MET 104           H        MET 104 -19.726  -7.646  20.417
  778    HA   MET 104           HA       MET 104 -22.398  -6.625  19.584
  779    HB2  MET 104           HB2      MET 104 -20.125  -7.123  17.617
  780    HB3  MET 104           HB3      MET 104 -21.812  -6.833  17.207
  781    HG2  MET 104           HG2      MET 104 -20.993  -4.727  16.920
  782    HG3  MET 104           HG3      MET 104 -21.533  -4.620  18.586
  783    HE1  MET 104           HE1      MET 104 -17.244  -4.570  16.934
  784    HE2  MET 104           HE2      MET 104 -18.330  -5.955  16.668
  785    HE3  MET 104           HE3      MET 104 -18.765  -4.358  16.036
  786    H    LYS 105           H        LYS 105 -23.649  -8.227  18.337
  787    HA   LYS 105           HA       LYS 105 -22.708 -11.002  18.264
  788    HB2  LYS 105           HB2      LYS 105 -23.293 -10.393  20.741
  789    HB3  LYS 105           HB3      LYS 105 -24.974 -10.431  20.218
  790    HG2  LYS 105           HG2      LYS 105 -24.633 -12.803  19.447
  791    HG3  LYS 105           HG3      LYS 105 -22.936 -12.692  19.958
  792    HD2  LYS 105           HD2      LYS 105 -23.805 -12.131  22.297
  793    HD3  LYS 105           HD3      LYS 105 -25.425 -12.568  21.719
  794    HE2  LYS 105           HE2      LYS 105 -24.574 -14.826  21.085
  795    HE3  LYS 105           HE3      LYS 105 -22.958 -14.366  21.646
  796    HZ1  LYS 105           HZ1      LYS 105 -25.373 -14.525  23.373
  797    HZ2  LYS 105           HZ2      LYS 105 -24.174 -15.633  23.332
  798    HZ3  LYS 105           HZ3      LYS 105 -23.869 -14.123  23.884
  799    H    TYR 106           H        TYR 106 -25.578  -8.865  18.094
  800    HA   TYR 106           HA       TYR 106 -27.332 -10.806  16.997
  801    HB2  TYR 106           HB2      TYR 106 -27.986  -8.800  18.251
  802    HB3  TYR 106           HB3      TYR 106 -27.427  -7.770  16.935
  803    HD1  TYR 106           HD2      TYR 106 -29.922 -10.411  17.839
  804    HD2  TYR 106           HD1      TYR 106 -28.870  -7.249  15.100
  805    HE1  TYR 106           HE2      TYR 106 -32.171 -10.576  16.795
  806    HE2  TYR 106           HE1      TYR 106 -31.125  -7.398  14.057
  807    HH   TYR 106           HH       TYR 106 -33.589  -9.752  15.187
  808    H    SER 107           H        SER 107 -25.274  -8.453  15.298
  809    HA   SER 107           HA       SER 107 -26.566  -8.657  12.748
  810    HB2  SER 107           HB2      SER 107 -23.740  -7.754  13.431
  811    HB3  SER 107           HB3      SER 107 -24.609  -7.415  11.923
  812    HG   SER 107           HG       SER 107 -24.776  -5.663  13.396
  813    H    ILE 108           H        ILE 108 -25.561  -9.358  10.696
  814    HA   ILE 108           HA       ILE 108 -24.592 -12.092  10.685
  815    HB   ILE 108           HB       ILE 108 -24.672  -9.953   8.509
  816   HG12  ILE 108          HG12      ILE 108 -26.505 -12.349   9.030
  817   HG13  ILE 108          HG13      ILE 108 -26.902 -10.685   9.434
  818   HG21  ILE 108          HG21      ILE 108 -24.145 -12.953   8.228
  819   HG22  ILE 108          HG22      ILE 108 -24.330 -11.799   6.888
  820   HG23  ILE 108          HG23      ILE 108 -22.954 -11.657   7.954
  821   HD11  ILE 108          HD11      ILE 108 -26.729 -10.074   7.008
  822   HD12  ILE 108          HD12      ILE 108 -26.558 -11.808   6.633
  823   HD13  ILE 108          HD13      ILE 108 -28.030 -11.213   7.407
  824    H    VAL 109           H        VAL 109 -22.484 -12.844  10.706
  825    HA   VAL 109           HA       VAL 109 -20.584 -11.293  11.989
  826    HB   VAL 109           HB       VAL 109 -19.910 -13.757  10.327
  827   HG11  VAL 109          HG11      VAL 109 -18.130 -14.070  12.079
  828   HG12  VAL 109          HG12      VAL 109 -17.877 -12.627  11.093
  829   HG13  VAL 109          HG13      VAL 109 -18.535 -12.470  12.736
  830   HG21  VAL 109          HG21      VAL 109 -20.252 -14.994  12.498
  831   HG22  VAL 109          HG22      VAL 109 -20.979 -13.511  13.167
  832   HG23  VAL 109          HG23      VAL 109 -21.737 -14.351  11.799
  833    H    SER 110           H        SER 110 -20.594 -11.981   8.439
  834    HA   SER 110           HA       SER 110 -18.213 -10.563   7.807
  835    HB2  SER 110           HB2      SER 110 -20.732 -10.808   6.110
  836    HB3  SER 110           HB3      SER 110 -19.093 -10.456   5.539
  837    HG   SER 110           HG       SER 110 -19.623 -12.676   5.293
  838    H    ARG 111           H        ARG 111 -21.610  -9.353   7.970
  839    HA   ARG 111           HA       ARG 111 -20.849  -6.662   7.304
  840    HB2  ARG 111           HB2      ARG 111 -23.208  -7.774   7.120
  841    HB3  ARG 111           HB3      ARG 111 -23.370  -7.382   8.829
  842    HG2  ARG 111           HG2      ARG 111 -24.328  -5.520   7.726
  843    HG3  ARG 111           HG3      ARG 111 -22.728  -4.939   8.180
  844    HD2  ARG 111           HD2      ARG 111 -23.148  -4.220   5.940
  845    HD3  ARG 111           HD3      ARG 111 -21.934  -5.489   5.832
  846    HE   ARG 111           HE       ARG 111 -24.866  -5.796   5.265
  847   HH11  ARG 111          HH11      ARG 111 -21.538  -6.810   4.379
  848   HH12  ARG 111          HH12      ARG 111 -22.158  -7.947   3.224
  849   HH21  ARG 111          HH21      ARG 111 -25.512  -7.253   3.731
  850   HH22  ARG 111          HH22      ARG 111 -24.341  -8.167   2.835
  851    H    ASN 112           H        ASN 112 -21.217  -8.345  10.397
  852    HA   ASN 112           HA       ASN 112 -20.883  -6.114  12.128
  853    HB2  ASN 112           HB2      ASN 112 -21.558  -8.416  12.812
  854    HB3  ASN 112           HB3      ASN 112 -19.930  -8.989  12.466
  855   HD21  ASN 112          HD22      ASN 112 -19.092  -9.499  14.471
  856   HD22  ASN 112          HD21      ASN 112 -19.050  -8.374  15.812
  857    H    CYS 113           H        CYS 113 -18.421  -8.063  10.427
  858    HA   CYS 113           HA       CYS 113 -16.113  -6.665  11.517
  859    HB2  CYS 113           HB2      CYS 113 -16.482  -8.453   9.053
  860    HB3  CYS 113           HB3      CYS 113 -14.926  -7.884   9.668
  861    HG   CYS 113           HG       CYS 113 -17.179  -9.863  11.081
  862    H    GLU 114           H        GLU 114 -17.835  -6.381   8.356
  863    HA   GLU 114           HA       GLU 114 -16.316  -4.164   7.403
  864    HB2  GLU 114           HB2      GLU 114 -19.221  -4.951   6.875
  865    HB3  GLU 114           HB3      GLU 114 -18.350  -3.715   5.963
  866    HG2  GLU 114           HG2      GLU 114 -16.711  -5.372   5.196
  867    HG3  GLU 114           HG3      GLU 114 -17.534  -6.649   6.093
  868    H    HIS 115           H        HIS 115 -19.434  -4.143   9.233
  869    HA   HIS 115           HA       HIS 115 -19.724  -1.330   9.258
  870    HB2  HIS 115           HB2      HIS 115 -21.527  -2.975   9.670
  871    HB3  HIS 115           HB3      HIS 115 -20.802  -3.369  11.236
  872    HD1  HIS 115           HD1      HIS 115 -22.619  -2.349  12.855
  873    HD2  HIS 115           HD2      HIS 115 -21.450   0.207   9.719
  874    HE1  HIS 115           HE1      HIS 115 -23.727  -0.103  13.304
  875    H    PHE 116           H        PHE 116 -17.935  -3.506  11.490
  876    HA   PHE 116           HA       PHE 116 -17.227  -1.583  13.472
  877    HB2  PHE 116           HB2      PHE 116 -16.772  -3.798  14.013
  878    HB3  PHE 116           HB3      PHE 116 -16.072  -4.172  12.462
  879    HD1  PHE 116           HD2      PHE 116 -15.359  -1.912  15.402
  880    HD2  PHE 116           HD1      PHE 116 -13.770  -4.467  12.299
  881    HE1  PHE 116           HE2      PHE 116 -13.074  -1.579  16.295
  882    HE2  PHE 116           HE1      PHE 116 -11.486  -4.148  13.221
  883    HZ   PHE 116           HZ       PHE 116 -11.135  -2.713  15.224
  884    H    VAL 117           H        VAL 117 -15.279  -2.526  10.545
  885    HA   VAL 117           HA       VAL 117 -13.518  -0.259  10.972
  886    HB   VAL 117           HB       VAL 117 -12.640  -0.646   8.679
  887   HG11  VAL 117          HG11      VAL 117 -11.499  -2.719   9.295
  888   HG12  VAL 117          HG12      VAL 117 -11.663  -1.680  10.710
  889   HG13  VAL 117          HG13      VAL 117 -12.741  -3.078  10.511
  890   HG21  VAL 117          HG21      VAL 117 -14.618  -1.589   7.566
  891   HG22  VAL 117          HG22      VAL 117 -13.201  -2.641   7.436
  892   HG23  VAL 117          HG23      VAL 117 -14.487  -3.042   8.582
  893    H    THR 118           H        THR 118 -16.543  -0.482   9.215
  894    HA   THR 118           HA       THR 118 -16.274   2.092   7.858
  895    HB   THR 118           HB       THR 118 -18.854   0.662   8.580
  896    HG1  THR 118           HG1      THR 118 -17.572  -0.737   7.402
  897   HG21  THR 118          HG21      THR 118 -19.779   1.831   6.661
  898   HG22  THR 118          HG22      THR 118 -18.996   3.052   7.671
  899   HG23  THR 118          HG23      THR 118 -18.206   2.480   6.204
  900    H    GLN 119           H        GLN 119 -17.628   1.175  11.081
  901    HA   GLN 119           HA       GLN 119 -18.246   3.925  11.756
  902    HB2  GLN 119           HB2      GLN 119 -17.695   1.442  13.411
  903    HB3  GLN 119           HB3      GLN 119 -18.073   3.009  14.136
  904    HG2  GLN 119           HG2      GLN 119 -20.255   3.102  13.169
  905    HG3  GLN 119           HG3      GLN 119 -19.920   1.758  12.070
  906   HE21  GLN 119          HE22      GLN 119 -19.436  -0.361  13.067
  907   HE22  GLN 119          HE21      GLN 119 -20.256  -0.802  14.579
  908    H    LEU 120           H        LEU 120 -15.144   2.148  11.860
  909    HA   LEU 120           HA       LEU 120 -13.798   4.169  13.424
  910    HB2  LEU 120           HB2      LEU 120 -12.712   2.147  11.411
  911    HB3  LEU 120           HB3      LEU 120 -11.707   3.171  12.426
  912    HG   LEU 120           HG       LEU 120 -13.662   1.076  13.468
  913   HD11  LEU 120          HD11      LEU 120 -11.676   0.121  12.316
  914   HD12  LEU 120          HD12      LEU 120 -10.625   1.096  13.359
  915   HD13  LEU 120          HD13      LEU 120 -11.633  -0.179  14.064
  916   HD21  LEU 120          HD21      LEU 120 -13.398   2.896  15.100
  917   HD22  LEU 120          HD22      LEU 120 -12.513   1.463  15.642
  918   HD23  LEU 120          HD23      LEU 120 -11.635   2.833  14.909
  919    H    ARG 121           H        ARG 121 -14.196   3.879   9.881
  920    HA   ARG 121           HA       ARG 121 -13.319   6.711   9.645
  921    HB2  ARG 121           HB2      ARG 121 -11.832   6.047   7.808
  922    HB3  ARG 121           HB3      ARG 121 -11.469   5.359   9.386
  923    HG2  ARG 121           HG2      ARG 121 -10.967   3.800   7.671
  924    HG3  ARG 121           HG3      ARG 121 -12.182   3.171   8.765
  925    HD2  ARG 121           HD2      ARG 121 -13.932   3.476   7.118
  926    HD3  ARG 121           HD3      ARG 121 -12.832   4.380   6.049
  927    HE   ARG 121           HE       ARG 121 -11.426   2.294   5.975
  928   HH11  ARG 121          HH11      ARG 121 -14.958   1.977   6.223
  929   HH12  ARG 121          HH12      ARG 121 -14.951   0.371   5.569
  930   HH21  ARG 121          HH21      ARG 121 -11.519   0.227   5.097
  931   HH22  ARG 121          HH22      ARG 121 -13.040  -0.563   4.866
  932    H    TYR 122           H        TYR 122 -16.024   5.856   9.518
  933    HA   TYR 122           HA       TYR 122 -17.244   5.552   7.089
  934    HB2  TYR 122           HB2      TYR 122 -17.974   6.179   9.732
  935    HB3  TYR 122           HB3      TYR 122 -18.589   7.540   8.852
  936    HD1  TYR 122           HD2      TYR 122 -19.658   6.448   6.336
  937    HD2  TYR 122           HD1      TYR 122 -19.729   4.778  10.317
  938    HE1  TYR 122           HE2      TYR 122 -21.677   5.127   5.752
  939    HE2  TYR 122           HE1      TYR 122 -21.745   3.465   9.737
  940    HH   TYR 122           HH       TYR 122 -23.282   2.953   8.110
  941    H    GLY 123           H        GLY 123 -16.128   8.515   8.507
  942    HA2  GLY 123           HA2      GLY 123 -15.608   9.970   6.064
  943    HA3  GLY 123           HA3      GLY 123 -17.120  10.531   6.781
  944    H    LYS 124           H        LYS 124 -14.088   9.426   8.164
  945    HA   LYS 124           HA       LYS 124 -12.530  10.246   9.594
  946    HB2  LYS 124           HB2      LYS 124 -12.129  12.390  10.013
  947    HB3  LYS 124           HB3      LYS 124 -13.235  12.664   8.684
  948    HG2  LYS 124           HG2      LYS 124 -15.084  12.942  10.488
  949    HG3  LYS 124           HG3      LYS 124 -13.789  12.882  11.688
  950    HD2  LYS 124           HD2      LYS 124 -12.679  14.813  10.574
  951    HD3  LYS 124           HD3      LYS 124 -14.022  14.925   9.430
  952    HE2  LYS 124           HE2      LYS 124 -14.251  15.206  12.470
  953    HE3  LYS 124           HE3      LYS 124 -14.134  16.556  11.341
  954    HZ1  LYS 124           HZ1      LYS 124 -16.219  15.812  10.318
  955    HZ2  LYS 124           HZ2      LYS 124 -16.360  14.586  11.397
  956    HZ3  LYS 124           HZ3      LYS 124 -16.431  16.138  11.905
  957    H    SER 125           H        SER 125 -15.855  10.260  10.204
  958    HA   SER 125           HA       SER 125 -17.002   8.666  11.343
  959    HB2  SER 125           HB2      SER 125 -16.314   7.429  13.228
  960    HB3  SER 125           HB3      SER 125 -15.064   7.366  11.974
  961    HG   SER 125           HG       SER 125 -14.073   9.140  13.125
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  17.548   3.575   0.098
    2    H2   MET   1           H2       MET   1  19.052   4.207   0.265
    3    H3   MET   1           H3       MET   1  18.864   2.627  -0.096
    4    HA   MET   1           HA       MET   1  19.483   2.869   2.219
    5    HB2  MET   1           HB2      MET   1  16.875   4.458   2.396
    6    HB3  MET   1           HB3      MET   1  17.762   3.848   3.789
    7    HG2  MET   1           HG2      MET   1  18.799   5.885   1.786
    8    HG3  MET   1           HG3      MET   1  18.243   6.193   3.427
    9    HE1  MET   1           HE1      MET   1  21.029   7.251   2.285
   10    HE2  MET   1           HE2      MET   1  20.430   7.574   3.928
   11    HE3  MET   1           HE3      MET   1  22.077   6.950   3.689
   12    H    ALA   2           H        ALA   2  18.659   1.422   3.887
   13    HA   ALA   2           HA       ALA   2  17.251  -0.853   2.794
   14    HB1  ALA   2           HB1      ALA   2  18.103  -0.207   5.654
   15    HB2  ALA   2           HB2      ALA   2  17.620  -1.803   5.038
   16    HB3  ALA   2           HB3      ALA   2  19.101  -1.036   4.429
   17    H    SER   3           H        SER   3  15.309  -1.803   3.523
   18    HA   SER   3           HA       SER   3  13.374  -0.490   5.209
   19    HB2  SER   3           HB2      SER   3  11.704   0.014   3.411
   20    HB3  SER   3           HB3      SER   3  13.107   1.076   3.396
   21    HG   SER   3           HG       SER   3  13.950  -0.137   1.667
   22    HA   PRO   4           HA       PRO   4  11.751  -4.639   5.031
   23    HB2  PRO   4           HB2      PRO   4   9.200  -4.378   5.952
   24    HB3  PRO   4           HB3      PRO   4  10.626  -4.076   6.993
   25    HG2  PRO   4           HG2      PRO   4   8.982  -2.031   5.463
   26    HG3  PRO   4           HG3      PRO   4   9.445  -1.995   7.195
   27    HD2  PRO   4           HD2      PRO   4  10.861  -0.655   5.307
   28    HD3  PRO   4           HD3      PRO   4  11.685  -1.459   6.675
   29    H    HIS   5           H        HIS   5  10.341  -6.065   3.864
   30    HA   HIS   5           HA       HIS   5   9.720  -5.146   1.198
   31    HB2  HIS   5           HB2      HIS   5   9.184  -7.444   0.755
   32    HB3  HIS   5           HB3      HIS   5  10.631  -7.387   1.750
   33    HD1  HIS   5           HD1      HIS   5   6.975  -8.520   1.879
   34    HD2  HIS   5           HD2      HIS   5  10.456  -8.465   4.242
   35    HE1  HIS   5           HE1      HIS   5   6.508 -10.029   3.878
   36    H    GLN   6           H        GLN   6   7.801  -5.151   4.045
   37    HA   GLN   6           HA       GLN   6   5.443  -4.174   2.665
   38    HB2  GLN   6           HB2      GLN   6   5.215  -6.658   2.414
   39    HB3  GLN   6           HB3      GLN   6   5.280  -6.838   4.168
   40    HG2  GLN   6           HG2      GLN   6   3.158  -5.649   4.405
   41    HG3  GLN   6           HG3      GLN   6   3.179  -5.177   2.703
   42   HE21  GLN   6          HE22      GLN   6   2.966  -8.143   4.825
   43   HE22  GLN   6          HE21      GLN   6   1.963  -8.988   3.669
   44    H    GLU   7           H        GLU   7   4.271  -2.820   4.038
   45    HA   GLU   7           HA       GLU   7   4.660  -2.893   6.956
   46    HB2  GLU   7           HB2      GLU   7   6.652  -1.698   6.117
   47    HB3  GLU   7           HB3      GLU   7   5.617  -0.577   5.230
   48    HG2  GLU   7           HG2      GLU   7   4.631   0.180   7.422
   49    HG3  GLU   7           HG3      GLU   7   5.752  -0.898   8.259
   50    HA   PRO   8           HA       PRO   8   0.627  -0.809   6.345
   51    HB2  PRO   8           HB2      PRO   8  -0.347  -0.962   8.856
   52    HB3  PRO   8           HB3      PRO   8  -0.224  -2.410   7.811
   53    HG2  PRO   8           HG2      PRO   8   1.704  -1.524   9.980
   54    HG3  PRO   8           HG3      PRO   8   1.016  -3.154   9.706
   55    HD2  PRO   8           HD2      PRO   8   3.498  -2.363   8.789
   56    HD3  PRO   8           HD3      PRO   8   2.499  -3.586   7.952
   57    H    LYS   9           H        LYS   9   0.206   1.338   6.445
   58    HA   LYS   9           HA       LYS   9   2.023   3.114   7.976
   59    HB2  LYS   9           HB2      LYS   9   0.080   3.439   5.683
   60    HB3  LYS   9           HB3      LYS   9   0.471   4.842   6.658
   61    HG2  LYS   9           HG2      LYS   9   1.914   4.691   4.682
   62    HG3  LYS   9           HG3      LYS   9   2.833   4.654   6.189
   63    HD2  LYS   9           HD2      LYS   9   3.204   2.235   5.967
   64    HD3  LYS   9           HD3      LYS   9   2.105   2.173   4.582
   65    HE2  LYS   9           HE2      LYS   9   4.287   2.104   3.672
   66    HE3  LYS   9           HE3      LYS   9   3.676   3.728   3.349
   67    HZ1  LYS   9           HZ1      LYS   9   5.569   2.973   5.529
   68    HZ2  LYS   9           HZ2      LYS   9   5.950   3.794   4.169
   69    HZ3  LYS   9           HZ3      LYS   9   4.987   4.498   5.284
   70    HA   PRO  10           HA       PRO  10  -0.641   3.737  11.345
   71    HB2  PRO  10           HB2      PRO  10  -0.350   6.351  12.082
   72    HB3  PRO  10           HB3      PRO  10   0.964   5.137  12.234
   73    HG2  PRO  10           HG2      PRO  10   0.537   7.100   9.966
   74    HG3  PRO  10           HG3      PRO  10   2.036   6.800  10.904
   75    HD2  PRO  10           HD2      PRO  10   1.634   5.599   8.510
   76    HD3  PRO  10           HD3      PRO  10   2.372   4.691   9.865
   77    H    GLY  11           H        GLY  11  -2.748   3.665  11.359
   78    HA2  GLY  11           HA2      GLY  11  -4.973   4.359  11.142
   79    HA3  GLY  11           HA3      GLY  11  -4.485   5.674  10.051
   80    H    ASP  12           H        ASP  12  -2.984   2.963   8.838
   81    HA   ASP  12           HA       ASP  12  -5.166   2.434   6.883
   82    HB2  ASP  12           HB2      ASP  12  -2.196   1.821   6.837
   83    HB3  ASP  12           HB3      ASP  12  -3.342   1.145   5.702
   84    H    LEU  13           H        LEU  13  -5.607   0.253   6.221
   85    HA   LEU  13           HA       LEU  13  -5.708  -1.579   8.556
   86    HB2  LEU  13           HB2      LEU  13  -7.864  -2.253   7.940
   87    HB3  LEU  13           HB3      LEU  13  -7.872  -0.509   8.056
   88    HG   LEU  13           HG       LEU  13  -7.603  -1.906   5.359
   89   HD11  LEU  13          HD11      LEU  13 -10.166  -1.076   6.772
   90   HD12  LEU  13          HD12      LEU  13 -10.030  -1.818   5.157
   91   HD13  LEU  13          HD13      LEU  13  -9.593  -2.748   6.600
   92   HD21  LEU  13          HD21      LEU  13  -8.640   0.850   6.204
   93   HD22  LEU  13          HD22      LEU  13  -7.144   0.527   5.302
   94   HD23  LEU  13          HD23      LEU  13  -8.702   0.201   4.549
   95    H    ILE  14           H        ILE  14  -6.124  -3.807   8.120
   96    HA   ILE  14           HA       ILE  14  -4.309  -4.853   5.984
   97    HB   ILE  14           HB       ILE  14  -4.040  -5.608   8.896
   98   HG12  ILE  14          HG12      ILE  14  -2.474  -3.297   7.696
   99   HG13  ILE  14          HG13      ILE  14  -3.715  -3.169   8.951
  100   HG21  ILE  14          HG21      ILE  14  -2.986  -6.970   7.038
  101   HG22  ILE  14          HG22      ILE  14  -1.993  -5.560   6.625
  102   HG23  ILE  14          HG23      ILE  14  -1.823  -6.372   8.201
  103   HD11  ILE  14          HD11      ILE  14  -2.352  -4.643  10.441
  104   HD12  ILE  14          HD12      ILE  14  -1.031  -4.552   9.248
  105   HD13  ILE  14          HD13      ILE  14  -1.607  -3.090  10.051
  106    H    GLU  15           H        GLU  15  -4.849  -6.829   5.253
  107    HA   GLU  15           HA       GLU  15  -6.972  -8.461   6.577
  108    HB2  GLU  15           HB2      GLU  15  -5.585  -8.718   3.864
  109    HB3  GLU  15           HB3      GLU  15  -6.819  -9.818   4.493
  110    HG2  GLU  15           HG2      GLU  15  -8.466  -7.982   4.520
  111    HG3  GLU  15           HG3      GLU  15  -7.235  -6.856   3.925
  112    H    ILE  16           H        ILE  16  -6.225 -10.041   7.947
  113    HA   ILE  16           HA       ILE  16  -3.390 -11.033   7.633
  114    HB   ILE  16           HB       ILE  16  -4.818 -10.488  10.261
  115   HG12  ILE  16          HG12      ILE  16  -2.831  -8.807   8.682
  116   HG13  ILE  16          HG13      ILE  16  -4.445  -8.346   9.223
  117   HG21  ILE  16          HG21      ILE  16  -1.883 -11.116   9.654
  118   HG22  ILE  16          HG22      ILE  16  -2.627 -10.925  11.256
  119   HG23  ILE  16          HG23      ILE  16  -3.053 -12.295  10.264
  120   HD11  ILE  16          HD11      ILE  16  -3.611  -8.438  11.596
  121   HD12  ILE  16          HD12      ILE  16  -1.966  -8.678  10.943
  122   HD13  ILE  16          HD13      ILE  16  -2.852  -7.200  10.577
  123    H    PHE  17           H        PHE  17  -3.176 -13.075   7.361
  124    HA   PHE  17           HA       PHE  17  -5.342 -15.011   7.799
  125    HB2  PHE  17           HB2      PHE  17  -2.529 -15.247   6.657
  126    HB3  PHE  17           HB3      PHE  17  -3.691 -16.564   6.746
  127    HD1  PHE  17           HD2      PHE  17  -2.874 -13.371   5.036
  128    HD2  PHE  17           HD1      PHE  17  -5.635 -16.675   5.264
  129    HE1  PHE  17           HE2      PHE  17  -3.840 -12.705   2.857
  130    HE2  PHE  17           HE1      PHE  17  -6.596 -16.009   3.075
  131    HZ   PHE  17           HZ       PHE  17  -5.704 -14.021   1.868
  132    H    ARG  18           H        ARG  18  -4.851 -13.971  10.180
  133    HA   ARG  18           HA       ARG  18  -2.877 -15.179  11.855
  134    HB2  ARG  18           HB2      ARG  18  -4.260 -13.201  12.436
  135    HB3  ARG  18           HB3      ARG  18  -5.689 -14.235  12.511
  136    HG2  ARG  18           HG2      ARG  18  -4.704 -13.610  14.726
  137    HG3  ARG  18           HG3      ARG  18  -4.907 -15.346  14.492
  138    HD2  ARG  18           HD2      ARG  18  -2.593 -15.719  14.208
  139    HD3  ARG  18           HD3      ARG  18  -2.276 -14.003  13.850
  140    HE   ARG  18           HE       ARG  18  -3.334 -14.437  16.528
  141   HH11  ARG  18          HH11      ARG  18  -0.315 -14.409  14.675
  142   HH12  ARG  18          HH12      ARG  18   0.599 -13.728  15.995
  143   HH21  ARG  18          HH21      ARG  18  -2.065 -13.648  18.220
  144   HH22  ARG  18          HH22      ARG  18  -0.368 -13.333  17.991
  145    H    LEU  19           H        LEU  19  -6.034 -16.243  10.851
  146    HA   LEU  19           HA       LEU  19  -5.664 -18.988  11.731
  147    HB2  LEU  19           HB2      LEU  19  -7.172 -16.831  13.163
  148    HB3  LEU  19           HB3      LEU  19  -8.082 -18.333  12.983
  149    HG   LEU  19           HG       LEU  19  -5.363 -18.076  14.336
  150   HD11  LEU  19          HD11      LEU  19  -7.147 -16.913  15.565
  151   HD12  LEU  19          HD12      LEU  19  -8.153 -18.374  15.522
  152   HD13  LEU  19          HD13      LEU  19  -6.620 -18.369  16.429
  153   HD21  LEU  19          HD21      LEU  19  -5.859 -20.364  15.200
  154   HD22  LEU  19          HD22      LEU  19  -7.317 -20.424  14.186
  155   HD23  LEU  19          HD23      LEU  19  -5.704 -20.363  13.440
  156    H    GLY  20           H        GLY  20  -7.866 -20.160  11.209
  157    HA2  GLY  20           HA2      GLY  20  -8.359 -19.857   8.441
  158    HA3  GLY  20           HA3      GLY  20  -9.298 -20.878   9.545
  159    H    TYR  21           H        TYR  21  -9.748 -17.936  10.866
  160    HA   TYR  21           HA       TYR  21 -12.331 -17.415   9.623
  161    HB2  TYR  21           HB2      TYR  21 -11.940 -17.084  12.008
  162    HB3  TYR  21           HB3      TYR  21 -10.612 -15.977  11.679
  163    HD1  TYR  21           HD1      TYR  21 -14.241 -16.281  10.596
  164    HD2  TYR  21           HD2      TYR  21 -11.111 -13.758  12.141
  165    HE1  TYR  21           HE1      TYR  21 -15.810 -14.364  10.646
  166    HE2  TYR  21           HE2      TYR  21 -12.683 -11.843  12.241
  167    HH   TYR  21           HH       TYR  21 -14.815 -11.121  11.824
  168    H    GLU  22           H        GLU  22  -9.088 -16.057   9.316
  169    HA   GLU  22           HA       GLU  22  -8.108 -14.427   8.090
  170    HB2  GLU  22           HB2      GLU  22 -10.641 -14.275   6.401
  171    HB3  GLU  22           HB3      GLU  22  -9.097 -13.502   6.069
  172    HG2  GLU  22           HG2      GLU  22  -7.991 -15.645   5.801
  173    HG3  GLU  22           HG3      GLU  22  -9.433 -16.519   6.336
  174    H    HIS  23           H        HIS  23  -7.713 -12.630   9.294
  175    HA   HIS  23           HA       HIS  23 -10.062 -11.252  10.539
  176    HB2  HIS  23           HB2      HIS  23  -7.125 -11.450  11.313
  177    HB3  HIS  23           HB3      HIS  23  -8.293 -10.431  12.140
  178    HD1  HIS  23           HD1      HIS  23  -9.541 -11.541  14.123
  179    HD2  HIS  23           HD2      HIS  23  -7.814 -14.252  11.403
  180    HE1  HIS  23           HE1      HIS  23  -9.654 -13.844  15.216
  181    H    TRP  24           H        TRP  24 -10.261  -9.043  10.657
  182    HA   TRP  24           HA       TRP  24  -8.618  -7.354   8.836
  183    HB2  TRP  24           HB2      TRP  24 -11.305  -7.054  10.212
  184    HB3  TRP  24           HB3      TRP  24 -10.363  -5.641   9.804
  185    HD1  TRP  24           HD1      TRP  24 -13.109  -7.338   8.453
  186    HE1  TRP  24           HE1      TRP  24 -13.409  -6.958   5.947
  187    HE3  TRP  24           HE3      TRP  24  -8.515  -5.395   7.411
  188    HZ2  TRP  24           HZ2      TRP  24 -11.858  -5.884   3.756
  189    HZ3  TRP  24           HZ3      TRP  24  -7.955  -4.651   5.123
  190    HH2  TRP  24           HH2      TRP  24  -9.620  -4.889   3.284
  191    H    ALA  25           H        ALA  25  -7.145  -5.940   9.649
  192    HA   ALA  25           HA       ALA  25  -7.352  -5.094  12.497
  193    HB1  ALA  25           HB1      ALA  25  -4.917  -5.345  12.773
  194    HB2  ALA  25           HB2      ALA  25  -5.641  -6.903  12.319
  195    HB3  ALA  25           HB3      ALA  25  -4.776  -5.938  11.103
  196    H    LEU  26           H        LEU  26  -6.325  -3.126  13.001
  197    HA   LEU  26           HA       LEU  26  -5.814  -1.189  10.764
  198    HB2  LEU  26           HB2      LEU  26  -8.063  -1.118  12.024
  199    HB3  LEU  26           HB3      LEU  26  -7.166  -0.702  13.462
  200    HG   LEU  26           HG       LEU  26  -8.093   1.271  12.673
  201   HD11  LEU  26          HD11      LEU  26  -5.294   1.547  11.540
  202   HD12  LEU  26          HD12      LEU  26  -6.347   2.804  12.212
  203   HD13  LEU  26          HD13      LEU  26  -5.676   1.562  13.281
  204   HD21  LEU  26          HD21      LEU  26  -8.654   0.471  10.378
  205   HD22  LEU  26          HD22      LEU  26  -7.953   2.099  10.348
  206   HD23  LEU  26          HD23      LEU  26  -6.961   0.703   9.894
  207    H    TYR  27           H        TYR  27  -3.725  -0.406  10.946
  208    HA   TYR  27           HA       TYR  27  -2.152  -0.852  13.396
  209    HB2  TYR  27           HB2      TYR  27  -1.279  -1.132  11.075
  210    HB3  TYR  27           HB3      TYR  27  -1.436   0.595  10.823
  211    HD1  TYR  27           HD1      TYR  27   0.117  -1.832  13.275
  212    HD2  TYR  27           HD2      TYR  27   0.522   1.821  11.041
  213    HE1  TYR  27           HE1      TYR  27   2.520  -1.715  13.895
  214    HE2  TYR  27           HE2      TYR  27   2.920   1.955  11.659
  215    HH   TYR  27           HH       TYR  27   4.671   0.868  12.648
  216    H    ILE  28           H        ILE  28  -2.928   0.406  15.047
  217    HA   ILE  28           HA       ILE  28  -3.764   3.177  14.618
  218    HB   ILE  28           HB       ILE  28  -3.976   3.252  17.136
  219   HG12  ILE  28          HG12      ILE  28  -3.661   0.235  17.068
  220   HG13  ILE  28          HG13      ILE  28  -2.317   1.308  17.485
  221   HG21  ILE  28          HG21      ILE  28  -6.067   2.065  17.060
  222   HG22  ILE  28          HG22      ILE  28  -5.802   2.853  15.511
  223   HG23  ILE  28          HG23      ILE  28  -5.534   1.102  15.659
  224   HD11  ILE  28          HD11      ILE  28  -3.482   2.194  19.390
  225   HD12  ILE  28          HD12      ILE  28  -4.984   1.355  18.953
  226   HD13  ILE  28          HD13      ILE  28  -3.570   0.426  19.471
  227    H    GLY  29           H        GLY  29  -0.697   1.993  14.810
  228    HA2  GLY  29           HA2      GLY  29   0.770   3.874  14.094
  229    HA3  GLY  29           HA3      GLY  29   0.372   4.695  15.595
  230    H    ASP  30           H        ASP  30   2.768   3.626  14.258
  231    HA   ASP  30           HA       ASP  30   4.805   3.054  14.673
  232    HB2  ASP  30           HB2      ASP  30   4.340   4.787  16.424
  233    HB3  ASP  30           HB3      ASP  30   4.063   3.500  17.599
  234    H    GLY  31           H        GLY  31   2.585   0.972  16.254
  235    HA2  GLY  31           HA2      GLY  31   4.008  -1.413  15.694
  236    HA3  GLY  31           HA3      GLY  31   4.342  -1.002  17.362
  237    H    TYR  32           H        TYR  32   1.421   0.209  17.461
  238    HA   TYR  32           HA       TYR  32   0.243  -2.330  18.380
  239    HB2  TYR  32           HB2      TYR  32  -0.529   0.573  18.731
  240    HB3  TYR  32           HB3      TYR  32  -1.502  -0.767  19.322
  241    HD1  TYR  32           HD1      TYR  32  -0.664  -2.301  21.086
  242    HD2  TYR  32           HD2      TYR  32   1.543   1.198  19.861
  243    HE1  TYR  32           HE1      TYR  32   0.684  -2.426  23.173
  244    HE2  TYR  32           HE2      TYR  32   2.913   1.065  21.933
  245    HH   TYR  32           HH       TYR  32   3.288  -0.050  23.888
  246    H    VAL  33           H        VAL  33  -1.751  -3.156  17.843
  247    HA   VAL  33           HA       VAL  33  -3.131  -2.054  15.438
  248    HB   VAL  33           HB       VAL  33  -3.687  -4.341  14.691
  249   HG11  VAL  33          HG11      VAL  33  -1.543  -4.860  13.645
  250   HG12  VAL  33          HG12      VAL  33  -1.872  -3.122  13.615
  251   HG13  VAL  33          HG13      VAL  33  -0.701  -3.786  14.780
  252   HG21  VAL  33          HG21      VAL  33  -3.301  -5.644  16.809
  253   HG22  VAL  33          HG22      VAL  33  -2.478  -6.309  15.403
  254   HG23  VAL  33          HG23      VAL  33  -1.555  -5.392  16.598
  255    H    ILE  34           H        ILE  34  -5.305  -2.232  15.336
  256    HA   ILE  34           HA       ILE  34  -6.806  -3.396  17.684
  257    HB   ILE  34           HB       ILE  34  -7.619  -1.155  15.785
  258   HG12  ILE  34          HG12      ILE  34  -5.990  -0.364  17.405
  259   HG13  ILE  34          HG13      ILE  34  -7.572   0.352  17.662
  260   HG21  ILE  34          HG21      ILE  34  -9.153  -2.465  18.071
  261   HG22  ILE  34          HG22      ILE  34  -9.616  -0.923  17.323
  262   HG23  ILE  34          HG23      ILE  34  -9.602  -2.400  16.355
  263   HD11  ILE  34          HD11      ILE  34  -6.238  -1.791  19.351
  264   HD12  ILE  34          HD12      ILE  34  -6.579  -0.102  19.803
  265   HD13  ILE  34          HD13      ILE  34  -7.905  -1.236  19.590
  266    H    HIS  35           H        HIS  35  -8.378  -4.969  17.118
  267    HA   HIS  35           HA       HIS  35  -8.888  -5.594  14.271
  268    HB2  HIS  35           HB2      HIS  35  -7.790  -7.829  14.479
  269    HB3  HIS  35           HB3      HIS  35  -6.642  -6.503  14.598
  270    HD1  HIS  35           HD1      HIS  35  -7.911  -9.445  16.611
  271    HD2  HIS  35           HD2      HIS  35  -5.725  -5.897  17.159
  272    HE1  HIS  35           HE1      HIS  35  -6.816  -9.625  18.897
  273    H    LEU  36           H        LEU  36 -10.372  -7.432  13.982
  274    HA   LEU  36           HA       LEU  36 -12.199  -7.712  16.314
  275    HB2  LEU  36           HB2      LEU  36 -12.978  -6.838  14.032
  276    HB3  LEU  36           HB3      LEU  36 -12.704  -8.460  13.407
  277    HG   LEU  36           HG       LEU  36 -14.351  -9.255  15.260
  278   HD11  LEU  36          HD11      LEU  36 -15.059  -6.284  15.243
  279   HD12  LEU  36          HD12      LEU  36 -15.937  -7.568  16.104
  280   HD13  LEU  36          HD13      LEU  36 -14.300  -7.128  16.601
  281   HD21  LEU  36          HD21      LEU  36 -15.367  -7.426  13.050
  282   HD22  LEU  36          HD22      LEU  36 -14.990  -9.156  12.892
  283   HD23  LEU  36          HD23      LEU  36 -16.336  -8.636  13.909
  284    H    ALA  37           H        ALA  37 -12.564  -9.569  17.302
  285    HA   ALA  37           HA       ALA  37 -11.378 -12.108  16.275
  286    HB1  ALA  37           HB1      ALA  37 -11.708 -12.888  18.619
  287    HB2  ALA  37           HB2      ALA  37 -10.677 -11.445  18.529
  288    HB3  ALA  37           HB3      ALA  37 -12.372 -11.295  19.048
  289    HA   PRO  38           HA       PRO  38 -15.480 -13.204  15.075
  290    HB2  PRO  38           HB2      PRO  38 -15.316 -15.937  14.767
  291    HB3  PRO  38           HB3      PRO  38 -14.474 -14.776  13.708
  292    HG2  PRO  38           HG2      PRO  38 -13.355 -16.227  16.126
  293    HG3  PRO  38           HG3      PRO  38 -12.641 -16.112  14.484
  294    HD2  PRO  38           HD2      PRO  38 -11.868 -14.446  16.486
  295    HD3  PRO  38           HD3      PRO  38 -12.043 -13.846  14.805
  296    HA   PRO  39           HA       PRO  39 -17.866 -14.592  18.573
  297    HB2  PRO  39           HB2      PRO  39 -19.827 -16.025  16.890
  298    HB3  PRO  39           HB3      PRO  39 -20.034 -14.580  17.912
  299    HG2  PRO  39           HG2      PRO  39 -20.013 -14.511  15.128
  300    HG3  PRO  39           HG3      PRO  39 -19.459 -13.147  16.139
  301    HD2  PRO  39           HD2      PRO  39 -17.811 -15.257  14.763
  302    HD3  PRO  39           HD3      PRO  39 -17.528 -13.498  14.920
  303    H    SER  40           H        SER  40 -16.266 -16.937  16.695
  304    HA   SER  40           HA       SER  40 -17.289 -19.404  17.558
  305    HB2  SER  40           HB2      SER  40 -14.367 -18.690  17.094
  306    HB3  SER  40           HB3      SER  40 -15.110 -20.298  16.988
  307    HG   SER  40           HG       SER  40 -14.890 -19.390  14.918
  308    H    GLU  41           H        GLU  41 -17.160 -20.608  19.455
  309    HA   GLU  41           HA       GLU  41 -16.430 -19.170  21.841
  310    HB2  GLU  41           HB2      GLU  41 -17.360 -22.033  21.424
  311    HB3  GLU  41           HB3      GLU  41 -17.070 -21.311  23.007
  312    HG2  GLU  41           HG2      GLU  41 -19.122 -20.389  20.972
  313    HG3  GLU  41           HG3      GLU  41 -19.442 -21.267  22.468
  314    H    TYR  42           H        TYR  42 -14.711 -19.182  23.061
  315    HA   TYR  42           HA       TYR  42 -12.367 -20.767  22.508
  316    HB2  TYR  42           HB2      TYR  42 -12.095 -18.554  23.331
  317    HB3  TYR  42           HB3      TYR  42 -13.081 -18.862  24.739
  318    HD1  TYR  42           HD1      TYR  42  -9.864 -19.788  23.075
  319    HD2  TYR  42           HD2      TYR  42 -12.115 -19.752  26.757
  320    HE1  TYR  42           HE1      TYR  42  -7.829 -20.488  24.330
  321    HE2  TYR  42           HE2      TYR  42 -10.089 -20.438  28.012
  322    HH   TYR  42           HH       TYR  42  -7.857 -21.000  27.875
  323    HA   PRO  43           HA       PRO  43 -13.598 -23.501  26.226
  324    HB2  PRO  43           HB2      PRO  43 -15.999 -23.259  27.484
  325    HB3  PRO  43           HB3      PRO  43 -14.615 -22.188  27.871
  326    HG2  PRO  43           HG2      PRO  43 -16.937 -21.617  25.994
  327    HG3  PRO  43           HG3      PRO  43 -16.301 -20.585  27.316
  328    HD2  PRO  43           HD2      PRO  43 -15.551 -20.246  24.724
  329    HD3  PRO  43           HD3      PRO  43 -14.406 -19.981  26.067
  330    H    GLY  44           H        GLY  44 -15.008 -25.456  26.439
  331    HA2  GLY  44           HA2      GLY  44 -16.098 -26.346  23.881
  332    HA3  GLY  44           HA3      GLY  44 -15.950 -27.289  25.384
  333    H    ALA  45           H        ALA  45 -17.628 -24.203  25.130
  334    HA   ALA  45           HA       ALA  45 -20.007 -25.278  26.391
  335    HB1  ALA  45           HB1      ALA  45 -19.093 -23.084  26.996
  336    HB2  ALA  45           HB2      ALA  45 -19.333 -22.503  25.334
  337    HB3  ALA  45           HB3      ALA  45 -20.734 -22.911  26.338
  338    H    GLY  46           H        GLY  46 -21.935 -25.763  25.559
  339    HA2  GLY  46           HA2      GLY  46 -23.760 -25.736  24.071
  340    HA3  GLY  46           HA3      GLY  46 -22.756 -25.023  22.793
  341    H    SER  47           H        SER  47 -24.554 -27.447  22.938
  342    HA   SER  47           HA       SER  47 -24.692 -29.595  22.178
  343    HB2  SER  47           HB2      SER  47 -22.155 -28.884  20.658
  344    HB3  SER  47           HB3      SER  47 -23.269 -30.210  20.290
  345    HG   SER  47           HG       SER  47 -23.660 -28.324  19.015
  346    H    SER  48           H        SER  48 -23.269 -29.238  24.712
  347    HA   SER  48           HA       SER  48 -21.773 -31.792  24.939
  348    HB2  SER  48           HB2      SER  48 -19.775 -30.756  25.710
  349    HB3  SER  48           HB3      SER  48 -20.211 -29.883  24.239
  350    HG   SER  48           HG       SER  48 -19.779 -28.317  25.706
  351    H    SER  49           H        SER  49 -20.771 -31.572  27.468
  352    HA   SER  49           HA       SER  49 -23.145 -31.559  29.183
  353    HB2  SER  49           HB2      SER  49 -21.124 -33.187  29.175
  354    HB3  SER  49           HB3      SER  49 -20.282 -31.925  30.087
  355    HG   SER  49           HG       SER  49 -21.344 -33.482  31.424
  356    H    VAL  50           H        VAL  50 -21.600 -28.937  28.044
  357    HA   VAL  50           HA       VAL  50 -22.070 -27.329  30.474
  358    HB   VAL  50           HB       VAL  50 -19.729 -28.036  30.704
  359   HG11  VAL  50          HG11      VAL  50 -19.169 -26.570  28.092
  360   HG12  VAL  50          HG12      VAL  50 -17.965 -27.258  29.188
  361   HG13  VAL  50          HG13      VAL  50 -19.086 -28.329  28.338
  362   HG21  VAL  50          HG21      VAL  50 -19.848 -25.079  30.014
  363   HG22  VAL  50          HG22      VAL  50 -20.464 -25.791  31.524
  364   HG23  VAL  50          HG23      VAL  50 -18.740 -25.886  31.131
  365    H    PHE  51           H        PHE  51 -22.524 -25.188  30.129
  366    HA   PHE  51           HA       PHE  51 -22.750 -24.253  27.297
  367    HB2  PHE  51           HB2      PHE  51 -24.823 -24.101  29.524
  368    HB3  PHE  51           HB3      PHE  51 -24.979 -23.329  27.954
  369    HD1  PHE  51           HD1      PHE  51 -25.250 -24.657  25.872
  370    HD2  PHE  51           HD2      PHE  51 -25.167 -26.527  29.760
  371    HE1  PHE  51           HE1      PHE  51 -26.190 -26.740  24.897
  372    HE2  PHE  51           HE2      PHE  51 -26.096 -28.609  28.778
  373    HZ   PHE  51           HZ       PHE  51 -26.602 -28.720  26.342
  374    H    SER  52           H        SER  52 -20.935 -23.580  29.781
  375    HA   SER  52           HA       SER  52 -21.398 -20.801  30.383
  376    HB2  SER  52           HB2      SER  52 -18.894 -22.487  30.730
  377    HB3  SER  52           HB3      SER  52 -19.261 -20.945  31.529
  378    HG   SER  52           HG       SER  52 -19.759 -22.707  32.886
  379    H    VAL  53           H        VAL  53 -21.658 -20.409  27.913
  380    HA   VAL  53           HA       VAL  53 -19.452 -20.097  26.172
  381    HB   VAL  53           HB       VAL  53 -20.845 -18.404  24.953
  382   HG11  VAL  53          HG11      VAL  53 -21.007 -20.831  24.495
  383   HG12  VAL  53          HG12      VAL  53 -22.302 -20.977  25.698
  384   HG13  VAL  53          HG13      VAL  53 -22.551 -20.001  24.240
  385   HG21  VAL  53          HG21      VAL  53 -22.057 -17.390  26.856
  386   HG22  VAL  53          HG22      VAL  53 -23.154 -17.991  25.614
  387   HG23  VAL  53          HG23      VAL  53 -22.930 -18.917  27.111
  388    H    LEU  54           H        LEU  54 -18.289 -18.331  25.416
  389    HA   LEU  54           HA       LEU  54 -17.867 -16.068  27.339
  390    HB2  LEU  54           HB2      LEU  54 -16.236 -17.961  27.648
  391    HB3  LEU  54           HB3      LEU  54 -15.756 -17.792  25.960
  392    HG   LEU  54           HG       LEU  54 -14.877 -15.515  26.431
  393   HD11  LEU  54          HD11      LEU  54 -15.663 -16.102  29.325
  394   HD12  LEU  54          HD12      LEU  54 -14.618 -14.767  28.798
  395   HD13  LEU  54          HD13      LEU  54 -16.309 -14.801  28.299
  396   HD21  LEU  54          HD21      LEU  54 -12.952 -16.236  27.798
  397   HD22  LEU  54          HD22      LEU  54 -13.847 -17.690  28.300
  398   HD23  LEU  54          HD23      LEU  54 -13.396 -17.455  26.595
  399    H    SER  55           H        SER  55 -17.725 -17.213  23.959
  400    HA   SER  55           HA       SER  55 -16.877 -14.556  22.932
  401    HB2  SER  55           HB2      SER  55 -17.715 -17.082  21.505
  402    HB3  SER  55           HB3      SER  55 -17.159 -15.586  20.738
  403    HG   SER  55           HG       SER  55 -15.499 -17.156  21.018
  404    H    ASN  56           H        ASN  56 -19.748 -16.566  22.209
  405    HA   ASN  56           HA       ASN  56 -21.856 -16.147  21.685
  406    HB2  ASN  56           HB2      ASN  56 -21.893 -15.165  23.980
  407    HB3  ASN  56           HB3      ASN  56 -21.607 -13.566  23.286
  408   HD21  ASN  56          HD22      ASN  56 -23.755 -13.511  24.739
  409   HD22  ASN  56          HD21      ASN  56 -25.227 -13.671  23.798
  410    H    SER  57           H        SER  57 -20.185 -13.023  21.436
  411    HA   SER  57           HA       SER  57 -21.337 -12.515  18.708
  412    HB2  SER  57           HB2      SER  57 -20.657 -10.510  20.910
  413    HB3  SER  57           HB3      SER  57 -21.297 -10.105  19.314
  414    HG   SER  57           HG       SER  57 -22.918 -10.185  20.989
  415    H    ALA  58           H        ALA  58 -19.818 -10.834  17.495
  416    HA   ALA  58           HA       ALA  58 -17.005 -11.668  17.685
  417    HB1  ALA  58           HB1      ALA  58 -18.303  -9.416  16.086
  418    HB2  ALA  58           HB2      ALA  58 -16.678 -10.086  15.856
  419    HB3  ALA  58           HB3      ALA  58 -18.095 -11.092  15.509
  420    H    GLU  59           H        GLU  59 -15.252 -10.136  18.191
  421    HA   GLU  59           HA       GLU  59 -16.026  -8.014  20.167
  422    HB2  GLU  59           HB2      GLU  59 -15.691 -10.246  21.241
  423    HB3  GLU  59           HB3      GLU  59 -14.025 -10.274  20.644
  424    HG2  GLU  59           HG2      GLU  59 -13.447  -8.346  22.008
  425    HG3  GLU  59           HG3      GLU  59 -15.121  -8.122  22.501
  426    H    VAL  60           H        VAL  60 -14.854  -6.162  19.962
  427    HA   VAL  60           HA       VAL  60 -12.521  -6.135  18.132
  428    HB   VAL  60           HB       VAL  60 -13.601  -3.768  19.701
  429   HG11  VAL  60          HG11      VAL  60 -12.474  -2.478  17.890
  430   HG12  VAL  60          HG12      VAL  60 -11.310  -3.496  18.740
  431   HG13  VAL  60          HG13      VAL  60 -11.906  -3.998  17.156
  432   HG21  VAL  60          HG21      VAL  60 -14.335  -4.602  16.866
  433   HG22  VAL  60          HG22      VAL  60 -15.432  -4.651  18.264
  434   HG23  VAL  60          HG23      VAL  60 -14.813  -3.104  17.687
  435    H    LYS  61           H        LYS  61 -10.456  -6.160  18.751
  436    HA   LYS  61           HA       LYS  61  -9.669  -5.859  21.626
  437    HB2  LYS  61           HB2      LYS  61  -8.987  -8.179  19.765
  438    HB3  LYS  61           HB3      LYS  61  -8.457  -8.001  21.447
  439    HG2  LYS  61           HG2      LYS  61 -10.904  -8.037  22.133
  440    HG3  LYS  61           HG3      LYS  61 -11.315  -8.374  20.453
  441    HD2  LYS  61           HD2      LYS  61 -11.395 -10.448  21.460
  442    HD3  LYS  61           HD3      LYS  61  -9.901 -10.431  20.537
  443    HE2  LYS  61           HE2      LYS  61  -9.611 -11.544  22.659
  444    HE3  LYS  61           HE3      LYS  61  -8.586 -10.104  22.592
  445    HZ1  LYS  61           HZ1      LYS  61 -10.122  -8.977  24.048
  446    HZ2  LYS  61           HZ2      LYS  61 -11.249 -10.167  23.931
  447    HZ3  LYS  61           HZ3      LYS  61  -9.833 -10.431  24.731
  448    H    ARG  62           H        ARG  62  -7.201  -6.033  21.847
  449    HA   ARG  62           HA       ARG  62  -5.814  -4.435  19.736
  450    HB2  ARG  62           HB2      ARG  62  -6.550  -2.970  21.563
  451    HB3  ARG  62           HB3      ARG  62  -5.757  -4.005  22.749
  452    HG2  ARG  62           HG2      ARG  62  -3.543  -3.410  21.831
  453    HG3  ARG  62           HG3      ARG  62  -4.301  -2.520  20.509
  454    HD2  ARG  62           HD2      ARG  62  -3.520  -0.943  22.137
  455    HD3  ARG  62           HD3      ARG  62  -5.290  -0.942  22.169
  456    HE   ARG  62           HE       ARG  62  -4.211  -2.793  24.112
  457   HH11  ARG  62          HH11      ARG  62  -4.663   0.698  23.681
  458   HH12  ARG  62          HH12      ARG  62  -4.689   0.989  25.393
  459   HH21  ARG  62          HH21      ARG  62  -4.280  -2.339  26.305
  460   HH22  ARG  62          HH22      ARG  62  -4.476  -0.707  26.857
  461    H    GLU  63           H        GLU  63  -3.678  -4.847  19.395
  462    HA   GLU  63           HA       GLU  63  -2.043  -6.607  21.085
  463    HB2  GLU  63           HB2      GLU  63  -3.004  -7.362  18.299
  464    HB3  GLU  63           HB3      GLU  63  -1.502  -7.997  18.930
  465    HG2  GLU  63           HG2      GLU  63  -4.214  -8.488  20.130
  466    HG3  GLU  63           HG3      GLU  63  -3.296  -9.571  19.100
  467    H    ARG  64           H        ARG  64   0.124  -6.981  19.802
  468    HA   ARG  64           HA       ARG  64   0.965  -4.447  18.459
  469    HB2  ARG  64           HB2      ARG  64   2.623  -6.586  19.855
  470    HB3  ARG  64           HB3      ARG  64   3.271  -5.173  19.001
  471    HG2  ARG  64           HG2      ARG  64   2.004  -3.670  20.538
  472    HG3  ARG  64           HG3      ARG  64   1.425  -5.081  21.436
  473    HD2  ARG  64           HD2      ARG  64   3.837  -5.702  21.895
  474    HD3  ARG  64           HD3      ARG  64   4.327  -4.204  21.107
  475    HE   ARG  64           HE       ARG  64   3.482  -2.929  22.880
  476   HH11  ARG  64          HH11      ARG  64   2.832  -6.348  23.560
  477   HH12  ARG  64          HH12      ARG  64   2.428  -6.030  25.220
  478   HH21  ARG  64          HH21      ARG  64   2.905  -2.593  24.998
  479   HH22  ARG  64          HH22      ARG  64   2.500  -3.930  26.035
  480    H    LEU  65           H        LEU  65   1.836  -4.506  16.438
  481    HA   LEU  65           HA       LEU  65   0.848  -6.357  14.588
  482    HB2  LEU  65           HB2      LEU  65   1.613  -4.010  14.113
  483    HB3  LEU  65           HB3      LEU  65   3.283  -4.515  14.334
  484    HG   LEU  65           HG       LEU  65   2.949  -6.143  12.387
  485   HD11  LEU  65          HD11      LEU  65   1.078  -5.646  10.825
  486   HD12  LEU  65          HD12      LEU  65   0.461  -6.233  12.376
  487   HD13  LEU  65          HD13      LEU  65   0.397  -4.499  11.995
  488   HD21  LEU  65          HD21      LEU  65   3.237  -4.419  10.686
  489   HD22  LEU  65          HD22      LEU  65   2.587  -3.184  11.788
  490   HD23  LEU  65          HD23      LEU  65   4.127  -3.988  12.155
  491    H    GLU  66           H        GLU  66   4.226  -6.236  15.861
  492    HA   GLU  66           HA       GLU  66   5.218  -8.337  14.319
  493    HB2  GLU  66           HB2      GLU  66   7.056  -8.477  15.886
  494    HB3  GLU  66           HB3      GLU  66   6.622  -6.799  15.569
  495    HG2  GLU  66           HG2      GLU  66   5.390  -6.734  17.760
  496    HG3  GLU  66           HG3      GLU  66   5.918  -8.388  18.074
  497    H    ASP  67           H        ASP  67   3.328  -8.683  17.360
  498    HA   ASP  67           HA       ASP  67   3.831 -11.564  17.534
  499    HB2  ASP  67           HB2      ASP  67   3.201 -10.177  19.501
  500    HB3  ASP  67           HB3      ASP  67   1.615  -9.891  18.784
  501    H    VAL  68           H        VAL  68   1.208  -9.467  16.375
  502    HA   VAL  68           HA       VAL  68  -0.545 -11.513  15.482
  503    HB   VAL  68           HB       VAL  68  -0.357  -8.609  14.665
  504   HG11  VAL  68          HG11      VAL  68  -2.735  -8.839  13.945
  505   HG12  VAL  68          HG12      VAL  68  -1.624  -9.752  12.926
  506   HG13  VAL  68          HG13      VAL  68  -2.607 -10.607  14.137
  507   HG21  VAL  68          HG21      VAL  68  -2.119 -10.121  16.652
  508   HG22  VAL  68          HG22      VAL  68  -0.800  -9.007  17.057
  509   HG23  VAL  68          HG23      VAL  68  -2.259  -8.400  16.263
  510    H    VAL  69           H        VAL  69   2.104  -9.945  13.811
  511    HA   VAL  69           HA       VAL  69   1.602 -11.337  11.272
  512    HB   VAL  69           HB       VAL  69   3.701  -9.382  12.261
  513   HG11  VAL  69          HG11      VAL  69   4.900 -10.680  10.629
  514   HG12  VAL  69          HG12      VAL  69   3.522 -10.643   9.506
  515   HG13  VAL  69          HG13      VAL  69   4.430  -9.154   9.876
  516   HG21  VAL  69          HG21      VAL  69   1.444  -9.180  10.204
  517   HG22  VAL  69          HG22      VAL  69   1.381  -8.535  11.852
  518   HG23  VAL  69          HG23      VAL  69   2.535  -7.863  10.682
  519    H    GLY  70           H        GLY  70   3.509 -11.996  14.169
  520    HA2  GLY  70           HA2      GLY  70   5.535 -13.653  13.118
  521    HA3  GLY  70           HA3      GLY  70   4.816 -13.819  14.729
  522    H    GLY  71           H        GLY  71   5.404 -15.400  11.894
  523    HA2  GLY  71           HA2      GLY  71   4.807 -17.483  11.096
  524    HA3  GLY  71           HA3      GLY  71   3.711 -17.677  12.483
  525    H    CYS  72           H        CYS  72   2.992 -14.828  10.727
  526    HA   CYS  72           HA       CYS  72   0.628 -16.179   9.456
  527    HB2  CYS  72           HB2      CYS  72   0.801 -13.445  10.815
  528    HB3  CYS  72           HB3      CYS  72  -0.643 -14.143  10.081
  529    HG   CYS  72           HG       CYS  72   1.198 -15.413  12.562
  530    H    CYS  73           H        CYS  73  -0.062 -15.509   7.480
  531    HA   CYS  73           HA       CYS  73   1.604 -13.623   5.905
  532    HB2  CYS  73           HB2      CYS  73  -0.828 -15.314   5.125
  533    HB3  CYS  73           HB3      CYS  73   0.134 -14.326   4.019
  534    HG   CYS  73           HG       CYS  73   2.434 -15.541   4.493
  535    H    TYR  74           H        TYR  74   0.724 -11.708   4.944
  536    HA   TYR  74           HA       TYR  74  -1.935 -10.796   5.672
  537    HB2  TYR  74           HB2      TYR  74  -1.340  -8.919   7.005
  538    HB3  TYR  74           HB3      TYR  74  -0.651 -10.333   7.765
  539    HD1  TYR  74           HD1      TYR  74   1.915 -10.819   7.219
  540    HD2  TYR  74           HD2      TYR  74  -0.035  -7.010   6.670
  541    HE1  TYR  74           HE1      TYR  74   4.115  -9.678   7.285
  542    HE2  TYR  74           HE2      TYR  74   2.158  -5.856   6.821
  543    HH   TYR  74           HH       TYR  74   4.443  -6.124   7.059
  544    H    ARG  75           H        ARG  75  -2.507  -8.716   4.777
  545    HA   ARG  75           HA       ARG  75  -0.680  -7.467   2.796
  546    HB2  ARG  75           HB2      ARG  75  -3.482  -8.512   2.149
  547    HB3  ARG  75           HB3      ARG  75  -2.609  -7.374   1.133
  548    HG2  ARG  75           HG2      ARG  75  -1.750 -10.234   1.734
  549    HG3  ARG  75           HG3      ARG  75  -2.492  -9.641   0.247
  550    HD2  ARG  75           HD2      ARG  75  -0.542  -8.148  -0.149
  551    HD3  ARG  75           HD3      ARG  75   0.208  -8.763   1.331
  552    HE   ARG  75           HE       ARG  75  -0.522 -10.808  -0.632
  553   HH11  ARG  75          HH11      ARG  75   2.105  -8.725   0.550
  554   HH12  ARG  75          HH12      ARG  75   3.328  -9.684  -0.240
  555   HH21  ARG  75          HH21      ARG  75   1.119 -12.004  -1.594
  556   HH22  ARG  75          HH22      ARG  75   2.777 -11.531  -1.401
  557    H    VAL  76           H        VAL  76  -0.974  -5.273   2.609
  558    HA   VAL  76           HA       VAL  76  -2.891  -3.947   4.453
  559    HB   VAL  76           HB       VAL  76  -0.860  -2.745   2.533
  560   HG11  VAL  76          HG11      VAL  76  -2.700  -1.136   2.953
  561   HG12  VAL  76          HG12      VAL  76  -2.526  -1.384   4.705
  562   HG13  VAL  76          HG13      VAL  76  -1.224  -0.624   3.771
  563   HG21  VAL  76          HG21      VAL  76   0.422  -2.230   4.589
  564   HG22  VAL  76          HG22      VAL  76  -0.796  -3.078   5.566
  565   HG23  VAL  76          HG23      VAL  76   0.212  -3.970   4.406
  566    H    ASN  77           H        ASN  77  -4.731  -2.850   3.780
  567    HA   ASN  77           HA       ASN  77  -5.473  -3.084   0.881
  568    HB2  ASN  77           HB2      ASN  77  -6.520  -4.858   2.307
  569    HB3  ASN  77           HB3      ASN  77  -7.288  -3.585   3.261
  570   HD21  ASN  77          HD22      ASN  77  -7.291  -5.257   0.135
  571   HD22  ASN  77          HD21      ASN  77  -8.742  -4.492  -0.478
  572    H    ASN  78           H        ASN  78  -6.505  -1.437  -0.043
  573    HA   ASN  78           HA       ASN  78  -7.607   0.813   1.573
  574    HB2  ASN  78           HB2      ASN  78  -5.655   1.025  -0.770
  575    HB3  ASN  78           HB3      ASN  78  -6.523   2.391  -0.071
  576   HD21  ASN  78          HD22      ASN  78  -5.892   3.243   1.983
  577   HD22  ASN  78          HD21      ASN  78  -4.438   2.672   2.806
  578    H    SER  79           H        SER  79  -9.158  -1.294   0.427
  579    HA   SER  79           HA       SER  79  -9.892  -0.949  -2.259
  580    HB2  SER  79           HB2      SER  79 -10.364  -2.955  -0.952
  581    HB3  SER  79           HB3      SER  79 -11.580  -2.087  -0.004
  582    HG   SER  79           HG       SER  79 -12.475  -3.305  -1.773
  583    H    LEU  80           H        LEU  80 -12.194   0.038   0.330
  584    HA   LEU  80           HA       LEU  80 -13.497   1.920  -1.499
  585    HB2  LEU  80           HB2      LEU  80 -13.730   1.593   1.529
  586    HB3  LEU  80           HB3      LEU  80 -14.743   2.616   0.524
  587    HG   LEU  80           HG       LEU  80 -14.630  -0.417   0.527
  588   HD11  LEU  80          HD11      LEU  80 -15.975   0.726   2.287
  589   HD12  LEU  80          HD12      LEU  80 -16.896   1.566   1.027
  590   HD13  LEU  80          HD13      LEU  80 -16.989  -0.204   1.168
  591   HD21  LEU  80          HD21      LEU  80 -16.448  -0.297  -1.227
  592   HD22  LEU  80          HD22      LEU  80 -16.035   1.419  -1.465
  593   HD23  LEU  80          HD23      LEU  80 -14.844   0.153  -1.820
  594    H    ASP  81           H        ASP  81 -10.908   2.189   0.829
  595    HA   ASP  81           HA       ASP  81 -10.845   4.976   1.132
  596    HB2  ASP  81           HB2      ASP  81  -9.589   3.278   2.455
  597    HB3  ASP  81           HB3      ASP  81  -8.546   2.980   1.062
  598    H    HIS  82           H        HIS  82  -9.257   3.030  -1.465
  599    HA   HIS  82           HA       HIS  82  -8.275   5.460  -2.754
  600    HB2  HIS  82           HB2      HIS  82  -7.029   4.145  -4.054
  601    HB3  HIS  82           HB3      HIS  82  -7.276   2.992  -2.759
  602    HD1  HIS  82           HD1      HIS  82  -9.969   1.590  -3.602
  603    HD2  HIS  82           HD2      HIS  82  -6.961   2.873  -6.249
  604    HE1  HIS  82           HE1      HIS  82 -10.255   0.221  -5.717
  605    H    GLU  83           H        GLU  83 -11.380   4.140  -2.643
  606    HA   GLU  83           HA       GLU  83 -12.164   4.911  -5.372
  607    HB2  GLU  83           HB2      GLU  83 -13.745   3.849  -3.012
  608    HB3  GLU  83           HB3      GLU  83 -14.504   4.414  -4.479
  609    HG2  GLU  83           HG2      GLU  83 -12.374   2.253  -4.548
  610    HG3  GLU  83           HG3      GLU  83 -14.078   1.902  -4.279
  611    H    TYR  84           H        TYR  84 -12.453   6.230  -2.098
  612    HA   TYR  84           HA       TYR  84 -14.065   8.506  -3.179
  613    HB2  TYR  84           HB2      TYR  84 -13.666   7.677  -0.306
  614    HB3  TYR  84           HB3      TYR  84 -14.901   8.751  -0.948
  615    HD1  TYR  84           HD2      TYR  84 -15.929   7.062  -3.266
  616    HD2  TYR  84           HD1      TYR  84 -14.852   6.054   0.789
  617    HE1  TYR  84           HE2      TYR  84 -17.466   5.113  -3.335
  618    HE2  TYR  84           HE1      TYR  84 -16.398   4.145   0.748
  619    HH   TYR  84           HH       TYR  84 -17.868   2.909  -0.549
  620    H    GLN  85           H        GLN  85 -11.131   8.062  -1.133
  621    HA   GLN  85           HA       GLN  85 -11.579  10.862  -0.250
  622    HB2  GLN  85           HB2      GLN  85 -11.520   9.885   2.034
  623    HB3  GLN  85           HB3      GLN  85 -12.833   9.289   1.018
  624    HG2  GLN  85           HG2      GLN  85 -11.498   7.191   0.596
  625    HG3  GLN  85           HG3      GLN  85 -10.233   7.819   1.656
  626   HE21  GLN  85          HE22      GLN  85 -10.377   6.265   3.296
  627   HE22  GLN  85          HE21      GLN  85 -11.879   5.969   4.197
  628    HA   PRO  86           HA       PRO  86  -7.171  11.204   0.721
  629    HB2  PRO  86           HB2      PRO  86  -7.158  13.514   2.121
  630    HB3  PRO  86           HB3      PRO  86  -7.604  13.489   0.389
  631    HG2  PRO  86           HG2      PRO  86  -9.469  13.493   2.794
  632    HG3  PRO  86           HG3      PRO  86  -9.534  14.541   1.341
  633    HD2  PRO  86           HD2      PRO  86 -11.022  12.235   1.592
  634    HD3  PRO  86           HD3      PRO  86 -10.422  12.841   0.019
  635    H    ARG  87           H        ARG  87  -9.703  10.891   3.151
  636    HA   ARG  87           HA       ARG  87  -9.888   9.965   5.090
  637    HB2  ARG  87           HB2      ARG  87  -8.790   8.179   4.089
  638    HB3  ARG  87           HB3      ARG  87  -7.176   8.801   4.463
  639    HG2  ARG  87           HG2      ARG  87  -7.339   8.320   6.752
  640    HG3  ARG  87           HG3      ARG  87  -9.113   8.284   6.713
  641    HD2  ARG  87           HD2      ARG  87  -7.983   6.023   6.977
  642    HD3  ARG  87           HD3      ARG  87  -9.214   6.191   5.725
  643    HE   ARG  87           HE       ARG  87  -7.612   6.023   4.043
  644   HH11  ARG  87          HH11      ARG  87  -5.833   5.720   7.142
  645   HH12  ARG  87          HH12      ARG  87  -4.400   5.192   6.286
  646   HH21  ARG  87          HH21      ARG  87  -5.822   5.183   3.168
  647   HH22  ARG  87          HH22      ARG  87  -4.453   4.727   4.173
  648    HA   PRO  88           HA       PRO  88  -7.891  12.766   8.107
  649    HB2  PRO  88           HB2      PRO  88  -9.854  12.791   9.965
  650    HB3  PRO  88           HB3      PRO  88 -10.000  13.676   8.421
  651    HG2  PRO  88           HG2      PRO  88 -11.169  10.961   9.111
  652    HG3  PRO  88           HG3      PRO  88 -11.969  12.360   8.328
  653    HD2  PRO  88           HD2      PRO  88 -10.877  10.232   6.964
  654    HD3  PRO  88           HD3      PRO  88 -10.966  11.887   6.273
  655    H    VAL  89           H        VAL  89  -6.241  11.238   8.375
  656    HA   VAL  89           HA       VAL  89  -6.513   8.610   9.298
  657    HB   VAL  89           HB       VAL  89  -4.208  10.534   9.099
  658   HG11  VAL  89          HG11      VAL  89  -3.482   9.292  11.048
  659   HG12  VAL  89          HG12      VAL  89  -3.949   7.757  10.296
  660   HG13  VAL  89          HG13      VAL  89  -2.598   8.707   9.638
  661   HG21  VAL  89          HG21      VAL  89  -5.149   9.428   7.080
  662   HG22  VAL  89          HG22      VAL  89  -3.486   8.907   7.381
  663   HG23  VAL  89          HG23      VAL  89  -4.838   7.836   7.809
  664    H    GLU  90           H        GLU  90  -6.033  11.512  11.317
  665    HA   GLU  90           HA       GLU  90  -5.564   9.979  13.742
  666    HB2  GLU  90           HB2      GLU  90  -5.530  11.958  14.925
  667    HB3  GLU  90           HB3      GLU  90  -4.744  12.306  13.390
  668    HG2  GLU  90           HG2      GLU  90  -7.567  13.116  14.194
  669    HG3  GLU  90           HG3      GLU  90  -6.146  14.151  14.197
  670    H    VAL  91           H        VAL  91  -8.460  11.492  12.270
  671    HA   VAL  91           HA       VAL  91 -10.303  10.644  14.320
  672    HB   VAL  91           HB       VAL  91 -10.736  11.187  11.373
  673   HG11  VAL  91          HG11      VAL  91 -13.174  11.324  11.866
  674   HG12  VAL  91          HG12      VAL  91 -12.547   9.679  11.991
  675   HG13  VAL  91          HG13      VAL  91 -12.866  10.619  13.465
  676   HG21  VAL  91          HG21      VAL  91 -10.123  13.135  12.815
  677   HG22  VAL  91          HG22      VAL  91 -11.773  13.263  12.191
  678   HG23  VAL  91          HG23      VAL  91 -11.495  12.759  13.872
  679    H    ILE  92           H        ILE  92  -9.076   8.860  11.435
  680    HA   ILE  92           HA       ILE  92 -10.733   6.512  11.841
  681    HB   ILE  92           HB       ILE  92  -7.950   6.636  10.612
  682   HG12  ILE  92          HG12      ILE  92  -8.849   7.949   9.051
  683   HG13  ILE  92          HG13      ILE  92  -9.480   6.445   8.436
  684   HG21  ILE  92          HG21      ILE  92  -8.578   4.603   9.408
  685   HG22  ILE  92          HG22      ILE  92  -8.663   4.342  11.145
  686   HG23  ILE  92          HG23      ILE  92 -10.153   4.586  10.209
  687   HD11  ILE  92          HD11      ILE  92 -11.175   8.062   8.233
  688   HD12  ILE  92          HD12      ILE  92 -11.681   6.942   9.520
  689   HD13  ILE  92          HD13      ILE  92 -11.041   8.557   9.919
  690    H    ILE  93           H        ILE  93  -7.437   7.272  12.984
  691    HA   ILE  93           HA       ILE  93  -7.065   4.874  14.561
  692    HB   ILE  93           HB       ILE  93  -5.825   7.662  14.678
  693   HG12  ILE  93          HG12      ILE  93  -4.661   5.000  13.735
  694   HG13  ILE  93          HG13      ILE  93  -5.405   6.167  12.657
  695   HG21  ILE  93          HG21      ILE  93  -4.062   6.686  16.155
  696   HG22  ILE  93          HG22      ILE  93  -5.630   6.723  16.929
  697   HG23  ILE  93          HG23      ILE  93  -5.016   5.192  16.267
  698   HD11  ILE  93          HD11      ILE  93  -3.714   7.868  13.280
  699   HD12  ILE  93          HD12      ILE  93  -2.890   6.657  14.292
  700   HD13  ILE  93          HD13      ILE  93  -2.998   6.411  12.554
  701    H    SER  94           H        SER  94  -8.475   8.058  15.410
  702    HA   SER  94           HA       SER  94  -8.921   7.469  18.163
  703    HB2  SER  94           HB2      SER  94  -9.001   9.730  17.101
  704    HB3  SER  94           HB3      SER  94 -10.544   9.287  16.346
  705    HG   SER  94           HG       SER  94 -10.802  10.442  18.332
  706    H    SER  95           H        SER  95 -11.034   6.914  15.281
  707    HA   SER  95           HA       SER  95 -13.269   5.871  16.687
  708    HB2  SER  95           HB2      SER  95 -13.107   6.504  14.213
  709    HB3  SER  95           HB3      SER  95 -12.345   4.924  13.955
  710    HG   SER  95           HG       SER  95 -14.557   4.575  13.699
  711    H    ALA  96           H        ALA  96 -10.312   4.203  15.516
  712    HA   ALA  96           HA       ALA  96 -11.089   1.566  16.347
  713    HB1  ALA  96           HB1      ALA  96  -8.786   1.026  15.887
  714    HB2  ALA  96           HB2      ALA  96  -9.235   2.257  14.703
  715    HB3  ALA  96           HB3      ALA  96  -8.264   2.710  16.115
  716    H    LYS  97           H        LYS  97  -9.018   3.998  18.006
  717    HA   LYS  97           HA       LYS  97  -8.743   2.501  20.441
  718    HB2  LYS  97           HB2      LYS  97  -8.513   5.481  19.861
  719    HB3  LYS  97           HB3      LYS  97  -8.063   4.705  21.391
  720    HG2  LYS  97           HG2      LYS  97  -6.350   3.355  20.273
  721    HG3  LYS  97           HG3      LYS  97  -6.760   4.074  18.707
  722    HD2  LYS  97           HD2      LYS  97  -6.183   6.326  19.560
  723    HD3  LYS  97           HD3      LYS  97  -5.820   5.641  21.156
  724    HE2  LYS  97           HE2      LYS  97  -4.019   4.243  20.134
  725    HE3  LYS  97           HE3      LYS  97  -4.358   4.981  18.557
  726    HZ1  LYS  97           HZ1      LYS  97  -2.506   6.086  19.676
  727    HZ2  LYS  97           HZ2      LYS  97  -3.746   7.143  19.529
  728    HZ3  LYS  97           HZ3      LYS  97  -3.427   6.450  20.975
  729    H    GLU  98           H        GLU  98 -11.399   4.595  19.358
  730    HA   GLU  98           HA       GLU  98 -12.726   4.565  21.931
  731    HB2  GLU  98           HB2      GLU  98 -13.637   5.304  19.137
  732    HB3  GLU  98           HB3      GLU  98 -14.750   5.225  20.502
  733    HG2  GLU  98           HG2      GLU  98 -13.353   6.839  21.761
  734    HG3  GLU  98           HG3      GLU  98 -12.313   7.043  20.353
  735    H    MET  99           H        MET  99 -13.236   2.695  18.890
  736    HA   MET  99           HA       MET  99 -15.393   1.247  20.195
  737    HB2  MET  99           HB2      MET  99 -16.059   0.506  18.220
  738    HB3  MET  99           HB3      MET  99 -15.292   2.018  17.759
  739    HG2  MET  99           HG2      MET  99 -13.342   0.788  16.920
  740    HG3  MET  99           HG3      MET  99 -14.036  -0.749  17.456
  741    HE1  MET  99           HE1      MET  99 -16.116  -1.958  16.356
  742    HE2  MET  99           HE2      MET  99 -17.153  -0.553  16.669
  743    HE3  MET  99           HE3      MET  99 -17.088  -1.260  15.046
  744    H    VAL 100           H        VAL 100 -12.046   0.562  19.958
  745    HA   VAL 100           HA       VAL 100 -12.129  -2.238  20.329
  746    HB   VAL 100           HB       VAL 100 -10.054  -1.051  20.038
  747   HG11  VAL 100          HG11      VAL 100 -10.167  -0.227  22.967
  748   HG12  VAL 100          HG12      VAL 100  -8.855   0.063  21.812
  749   HG13  VAL 100          HG13      VAL 100 -10.420   0.860  21.581
  750   HG21  VAL 100          HG21      VAL 100 -10.081  -3.359  20.889
  751   HG22  VAL 100          HG22      VAL 100  -8.701  -2.454  21.525
  752   HG23  VAL 100          HG23      VAL 100 -10.107  -2.759  22.561
  753    H    GLY 101           H        GLY 101 -12.838  -3.553  21.758
  754    HA2  GLY 101           HA2      GLY 101 -13.571  -4.320  23.904
  755    HA3  GLY 101           HA3      GLY 101 -13.839  -2.642  24.427
  756    H    GLN 102           H        GLN 102 -15.190  -2.550  21.414
  757    HA   GLN 102           HA       GLN 102 -17.902  -3.099  22.291
  758    HB2  GLN 102           HB2      GLN 102 -16.682  -2.525  19.546
  759    HB3  GLN 102           HB3      GLN 102 -18.390  -2.809  19.794
  760    HG2  GLN 102           HG2      GLN 102 -16.893  -0.525  21.131
  761    HG3  GLN 102           HG3      GLN 102 -17.787  -0.411  19.613
  762   HE21  GLN 102          HE22      GLN 102 -20.193  -0.785  19.688
  763   HE22  GLN 102          HE21      GLN 102 -21.018  -0.524  21.214
  764    H    LYS 103           H        LYS 103 -19.271  -4.598  21.501
  765    HA   LYS 103           HA       LYS 103 -18.181  -6.933  20.055
  766    HB2  LYS 103           HB2      LYS 103 -20.136  -7.051  22.409
  767    HB3  LYS 103           HB3      LYS 103 -19.684  -8.420  21.382
  768    HG2  LYS 103           HG2      LYS 103 -17.283  -8.046  22.024
  769    HG3  LYS 103           HG3      LYS 103 -17.806  -6.797  23.156
  770    HD2  LYS 103           HD2      LYS 103 -17.407  -8.760  24.391
  771    HD3  LYS 103           HD3      LYS 103 -19.158  -8.521  24.376
  772    HE2  LYS 103           HE2      LYS 103 -19.544 -10.378  23.005
  773    HE3  LYS 103           HE3      LYS 103 -17.976 -10.241  22.196
  774    HZ1  LYS 103           HZ1      LYS 103 -18.086 -12.166  23.698
  775    HZ2  LYS 103           HZ2      LYS 103 -16.884 -11.107  24.123
  776    HZ3  LYS 103           HZ3      LYS 103 -18.282 -11.179  24.992
  777    H    MET 104           H        MET 104 -19.500  -7.862  18.499
  778    HA   MET 104           HA       MET 104 -22.076  -6.468  17.843
  779    HB2  MET 104           HB2      MET 104 -19.709  -6.756  15.961
  780    HB3  MET 104           HB3      MET 104 -21.317  -6.181  15.516
  781    HG2  MET 104           HG2      MET 104 -20.320  -4.168  15.799
  782    HG3  MET 104           HG3      MET 104 -20.908  -4.404  17.432
  783    HE1  MET 104           HE1      MET 104 -17.988  -4.031  15.012
  784    HE2  MET 104           HE2      MET 104 -16.561  -4.600  15.899
  785    HE3  MET 104           HE3      MET 104 -17.787  -5.763  15.350
  786    H    LYS 105           H        LYS 105 -23.478  -7.506  16.480
  787    HA   LYS 105           HA       LYS 105 -22.980 -10.205  15.459
  788    HB2  LYS 105           HB2      LYS 105 -23.600 -10.135  18.092
  789    HB3  LYS 105           HB3      LYS 105 -25.237 -10.014  17.467
  790    HG2  LYS 105           HG2      LYS 105 -24.731 -12.124  16.091
  791    HG3  LYS 105           HG3      LYS 105 -23.156 -12.180  16.893
  792    HD2  LYS 105           HD2      LYS 105 -24.372 -12.278  19.118
  793    HD3  LYS 105           HD3      LYS 105 -25.902 -12.397  18.214
  794    HE2  LYS 105           HE2      LYS 105 -25.048 -14.428  17.055
  795    HE3  LYS 105           HE3      LYS 105 -23.523 -14.285  17.949
  796    HZ1  LYS 105           HZ1      LYS 105 -26.175 -14.739  19.217
  797    HZ2  LYS 105           HZ2      LYS 105 -25.037 -15.890  18.978
  798    HZ3  LYS 105           HZ3      LYS 105 -24.738 -14.663  20.013
  799    H    TYR 106           H        TYR 106 -25.876 -10.787  15.415
  800    HA   TYR 106           HA       TYR 106 -27.783 -10.528  14.282
  801    HB2  TYR 106           HB2      TYR 106 -27.863  -8.332  15.405
  802    HB3  TYR 106           HB3      TYR 106 -27.066  -7.580  14.028
  803    HD1  TYR 106           HD1      TYR 106 -30.149  -9.368  15.123
  804    HD2  TYR 106           HD2      TYR 106 -28.285  -6.996  12.043
  805    HE1  TYR 106           HE1      TYR 106 -32.361  -9.076  14.014
  806    HE2  TYR 106           HE2      TYR 106 -30.494  -6.688  10.935
  807    HH   TYR 106           HH       TYR 106 -32.735  -7.166  10.999
  808    H    SER 107           H        SER 107 -25.339  -8.579  12.516
  809    HA   SER 107           HA       SER 107 -26.256  -9.374   9.868
  810    HB2  SER 107           HB2      SER 107 -23.523  -8.329  10.727
  811    HB3  SER 107           HB3      SER 107 -24.210  -8.284   9.098
  812    HG   SER 107           HG       SER 107 -25.748  -6.776   9.831
  813    H    ILE 108           H        ILE 108 -24.916 -10.628   8.301
  814    HA   ILE 108           HA       ILE 108 -23.946 -13.146   9.312
  815    HB   ILE 108           HB       ILE 108 -24.936 -12.796   7.056
  816   HG12  ILE 108          HG12      ILE 108 -22.140 -14.003   6.952
  817   HG13  ILE 108          HG13      ILE 108 -23.560 -14.788   7.654
  818   HG21  ILE 108          HG21      ILE 108 -23.698 -11.841   5.213
  819   HG22  ILE 108          HG22      ILE 108 -23.752 -10.639   6.496
  820   HG23  ILE 108          HG23      ILE 108 -22.267 -11.574   6.227
  821   HD11  ILE 108          HD11      ILE 108 -23.201 -15.647   5.423
  822   HD12  ILE 108          HD12      ILE 108 -24.691 -14.688   5.422
  823   HD13  ILE 108          HD13      ILE 108 -23.191 -14.026   4.724
  824    H    VAL 109           H        VAL 109 -21.792 -13.887   9.607
  825    HA   VAL 109           HA       VAL 109 -20.210 -12.044  10.900
  826    HB   VAL 109           HB       VAL 109 -20.263 -14.564  11.141
  827   HG11  VAL 109          HG11      VAL 109 -19.515 -15.174   8.852
  828   HG12  VAL 109          HG12      VAL 109 -17.914 -14.489   9.202
  829   HG13  VAL 109          HG13      VAL 109 -18.506 -15.885  10.123
  830   HG21  VAL 109          HG21      VAL 109 -18.070 -14.611  12.254
  831   HG22  VAL 109          HG22      VAL 109 -17.626 -13.097  11.438
  832   HG23  VAL 109          HG23      VAL 109 -18.965 -13.119  12.595
  833    H    SER 110           H        SER 110 -19.911 -12.845   7.482
  834    HA   SER 110           HA       SER 110 -17.378 -11.540   6.993
  835    HB2  SER 110           HB2      SER 110 -18.503 -13.066   5.399
  836    HB3  SER 110           HB3      SER 110 -19.784 -11.862   5.145
  837    HG   SER 110           HG       SER 110 -18.087 -11.783   3.551
  838    H    ARG 111           H        ARG 111 -20.771 -10.281   6.869
  839    HA   ARG 111           HA       ARG 111 -19.891  -7.556   6.437
  840    HB2  ARG 111           HB2      ARG 111 -22.110  -8.318   5.698
  841    HB3  ARG 111           HB3      ARG 111 -22.590  -8.577   7.372
  842    HG2  ARG 111           HG2      ARG 111 -23.486  -6.466   6.513
  843    HG3  ARG 111           HG3      ARG 111 -22.387  -6.160   7.848
  844    HD2  ARG 111           HD2      ARG 111 -22.214  -4.515   5.992
  845    HD3  ARG 111           HD3      ARG 111 -20.701  -5.275   6.463
  846    HE   ARG 111           HE       ARG 111 -20.429  -5.949   4.309
  847   HH11  ARG 111          HH11      ARG 111 -23.963  -5.630   4.602
  848   HH12  ARG 111          HH12      ARG 111 -24.167  -5.918   2.900
  849   HH21  ARG 111          HH21      ARG 111 -20.727  -6.239   2.319
  850   HH22  ARG 111          HH22      ARG 111 -22.320  -6.303   1.573
  851    H    ASN 112           H        ASN 112 -20.503  -9.500   9.360
  852    HA   ASN 112           HA       ASN 112 -20.374  -7.386  11.256
  853    HB2  ASN 112           HB2      ASN 112 -20.843  -9.892  11.582
  854    HB3  ASN 112           HB3      ASN 112 -19.091 -10.122  11.652
  855   HD21  ASN 112          HD22      ASN 112 -20.805 -10.835  13.759
  856   HD22  ASN 112          HD21      ASN 112 -20.471  -9.759  15.114
  857    H    CYS 113           H        CYS 113 -17.688  -9.099   9.635
  858    HA   CYS 113           HA       CYS 113 -15.589  -7.500  10.852
  859    HB2  CYS 113           HB2      CYS 113 -15.756  -9.962   9.598
  860    HB3  CYS 113           HB3      CYS 113 -15.022  -8.985   8.322
  861    HG   CYS 113           HG       CYS 113 -13.131 -10.213   9.647
  862    H    GLU 114           H        GLU 114 -17.108  -7.411   7.580
  863    HA   GLU 114           HA       GLU 114 -15.625  -5.163   6.633
  864    HB2  GLU 114           HB2      GLU 114 -16.884  -6.789   5.254
  865    HB3  GLU 114           HB3      GLU 114 -18.403  -6.089   5.833
  866    HG2  GLU 114           HG2      GLU 114 -17.897  -3.964   4.746
  867    HG3  GLU 114           HG3      GLU 114 -16.264  -4.516   4.345
  868    H    HIS 115           H        HIS 115 -18.805  -5.237   8.347
  869    HA   HIS 115           HA       HIS 115 -19.248  -2.413   8.293
  870    HB2  HIS 115           HB2      HIS 115 -21.008  -4.075   8.742
  871    HB3  HIS 115           HB3      HIS 115 -20.224  -4.500  10.269
  872    HD1  HIS 115           HD1      HIS 115 -22.237  -3.678  11.786
  873    HD2  HIS 115           HD2      HIS 115 -20.727  -0.791   9.122
  874    HE1  HIS 115           HE1      HIS 115 -23.296  -1.460  12.451
  875    H    PHE 116           H        PHE 116 -17.487  -4.584  10.578
  876    HA   PHE 116           HA       PHE 116 -16.764  -2.631  12.528
  877    HB2  PHE 116           HB2      PHE 116 -16.341  -4.814  13.167
  878    HB3  PHE 116           HB3      PHE 116 -15.689  -5.289  11.636
  879    HD1  PHE 116           HD1      PHE 116 -14.897  -3.028  14.521
  880    HD2  PHE 116           HD2      PHE 116 -13.356  -5.478  11.320
  881    HE1  PHE 116           HE1      PHE 116 -12.598  -2.655  15.347
  882    HE2  PHE 116           HE2      PHE 116 -11.049  -5.130  12.175
  883    HZ   PHE 116           HZ       PHE 116 -10.667  -3.734  14.199
  884    H    VAL 117           H        VAL 117 -14.751  -3.690   9.649
  885    HA   VAL 117           HA       VAL 117 -12.982  -1.470  10.136
  886    HB   VAL 117           HB       VAL 117 -12.098  -1.711   7.836
  887   HG11  VAL 117          HG11      VAL 117 -10.936  -3.771   8.346
  888   HG12  VAL 117          HG12      VAL 117 -11.128  -2.804   9.805
  889   HG13  VAL 117          HG13      VAL 117 -12.186  -4.214   9.537
  890   HG21  VAL 117          HG21      VAL 117 -14.113  -2.625   6.699
  891   HG22  VAL 117          HG22      VAL 117 -12.656  -3.609   6.463
  892   HG23  VAL 117          HG23      VAL 117 -13.899  -4.139   7.605
  893    H    THR 118           H        THR 118 -16.001  -1.486   8.281
  894    HA   THR 118           HA       THR 118 -15.561   1.184   7.154
  895    HB   THR 118           HB       THR 118 -18.286   0.054   7.721
  896    HG1  THR 118           HG1      THR 118 -17.140  -1.558   6.565
  897   HG21  THR 118          HG21      THR 118 -17.169   1.842   5.519
  898   HG22  THR 118          HG22      THR 118 -18.839   1.250   5.638
  899   HG23  THR 118          HG23      THR 118 -18.211   2.357   6.869
  900    H    GLN 119           H        GLN 119 -16.873   0.081  10.310
  901    HA   GLN 119           HA       GLN 119 -17.471   2.768  11.220
  902    HB2  GLN 119           HB2      GLN 119 -16.950   0.152  12.645
  903    HB3  GLN 119           HB3      GLN 119 -17.196   1.661  13.520
  904    HG2  GLN 119           HG2      GLN 119 -19.405   1.968  12.683
  905    HG3  GLN 119           HG3      GLN 119 -19.192   0.755  11.420
  906   HE21  GLN 119          HE22      GLN 119 -18.937  -1.484  12.061
  907   HE22  GLN 119          HE21      GLN 119 -19.728  -2.052  13.548
  908    H    LEU 120           H        LEU 120 -14.402   0.994  10.948
  909    HA   LEU 120           HA       LEU 120 -12.926   3.023  12.440
  910    HB2  LEU 120           HB2      LEU 120 -11.857   0.998  10.429
  911    HB3  LEU 120           HB3      LEU 120 -10.931   1.956  11.572
  912    HG   LEU 120           HG       LEU 120 -12.957  -0.225  12.286
  913   HD11  LEU 120          HD11      LEU 120 -10.760  -1.000  11.375
  914   HD12  LEU 120          HD12      LEU 120  -9.955  -0.073  12.662
  915   HD13  LEU 120          HD13      LEU 120 -10.999  -1.435  13.077
  916   HD21  LEU 120          HD21      LEU 120 -11.293   1.594  14.047
  917   HD22  LEU 120          HD22      LEU 120 -13.056   1.470  14.030
  918   HD23  LEU 120          HD23      LEU 120 -12.089   0.112  14.625
  919    H    ARG 121           H        ARG 121 -13.007   2.399   8.877
  920    HA   ARG 121           HA       ARG 121 -11.905   5.025   8.309
  921    HB2  ARG 121           HB2      ARG 121 -12.115   4.476   5.965
  922    HB3  ARG 121           HB3      ARG 121 -11.404   3.138   6.862
  923    HG2  ARG 121           HG2      ARG 121 -13.584   1.992   6.889
  924    HG3  ARG 121           HG3      ARG 121 -14.326   3.299   5.981
  925    HD2  ARG 121           HD2      ARG 121 -12.933   2.763   4.037
  926    HD3  ARG 121           HD3      ARG 121 -12.020   1.579   4.993
  927    HE   ARG 121           HE       ARG 121 -14.972   1.355   4.491
  928   HH11  ARG 121          HH11      ARG 121 -11.832  -0.216   4.122
  929   HH12  ARG 121          HH12      ARG 121 -12.538  -1.794   3.935
  930   HH21  ARG 121          HH21      ARG 121 -15.812  -0.739   4.483
  931   HH22  ARG 121          HH22      ARG 121 -14.784  -2.057   4.019
  932    H    TYR 122           H        TYR 122 -14.871   4.430   9.447
  933    HA   TYR 122           HA       TYR 122 -16.829   5.533   7.979
  934    HB2  TYR 122           HB2      TYR 122 -16.722   4.587  10.412
  935    HB3  TYR 122           HB3      TYR 122 -16.532   6.233  10.924
  936    HD1  TYR 122           HD1      TYR 122 -18.797   3.717   9.450
  937    HD2  TYR 122           HD2      TYR 122 -18.439   7.815  10.763
  938    HE1  TYR 122           HE1      TYR 122 -21.268   3.939   9.414
  939    HE2  TYR 122           HE2      TYR 122 -20.917   8.039  10.737
  940    HH   TYR 122           HH       TYR 122 -23.060   5.326   9.781
  941    H    GLY 123           H        GLY 123 -14.217   7.189   9.572
  942    HA2  GLY 123           HA2      GLY 123 -14.885   9.861   9.888
  943    HA3  GLY 123           HA3      GLY 123 -13.267   9.261   9.441
  944    H    LYS 124           H        LYS 124 -14.333   8.220   6.809
  945    HA   LYS 124           HA       LYS 124 -15.420  10.620   5.514
  946    HB2  LYS 124           HB2      LYS 124 -12.892  10.825   5.516
  947    HB3  LYS 124           HB3      LYS 124 -12.812   9.405   4.487
  948    HG2  LYS 124           HG2      LYS 124 -12.578  11.504   3.236
  949    HG3  LYS 124           HG3      LYS 124 -14.027  10.643   2.703
  950    HD2  LYS 124           HD2      LYS 124 -15.449  12.196   3.985
  951    HD3  LYS 124           HD3      LYS 124 -14.009  12.973   4.685
  952    HE2  LYS 124           HE2      LYS 124 -13.292  13.680   2.416
  953    HE3  LYS 124           HE3      LYS 124 -14.702  12.877   1.711
  954    HZ1  LYS 124           HZ1      LYS 124 -16.124  14.418   2.948
  955    HZ2  LYS 124           HZ2      LYS 124 -14.826  15.164   3.609
  956    HZ3  LYS 124           HZ3      LYS 124 -15.090  15.254   2.001
  957    H    SER 125           H        SER 125 -15.001   7.158   5.476
  958    HA   SER 125           HA       SER 125 -16.178   6.706   2.848
  959    HB2  SER 125           HB2      SER 125 -15.850   4.829   5.212
  960    HB3  SER 125           HB3      SER 125 -16.305   4.363   3.559
  961    HG   SER 125           HG       SER 125 -14.170   5.964   3.425
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  15.473 -14.099  -7.810
    2    H2   MET   1           H2       MET   1  16.174 -13.935  -6.345
    3    H3   MET   1           H3       MET   1  14.703 -14.632  -6.464
    4    HA   MET   1           HA       MET   1  15.315 -11.809  -7.092
    5    HB2  MET   1           HB2      MET   1  12.632 -13.272  -7.069
    6    HB3  MET   1           HB3      MET   1  12.812 -11.521  -7.148
    7    HG2  MET   1           HG2      MET   1  14.094 -11.739  -9.259
    8    HG3  MET   1           HG3      MET   1  13.835 -13.489  -9.225
    9    HE1  MET   1           HE1      MET   1  12.887 -13.414 -11.682
   10    HE2  MET   1           HE2      MET   1  11.572 -12.336 -12.200
   11    HE3  MET   1           HE3      MET   1  13.137 -11.653 -11.724
   12    H    ALA   2           H        ALA   2  14.501 -10.228  -5.578
   13    HA   ALA   2           HA       ALA   2  14.784 -11.014  -2.788
   14    HB1  ALA   2           HB1      ALA   2  15.685  -8.898  -3.690
   15    HB2  ALA   2           HB2      ALA   2  14.037  -8.353  -4.085
   16    HB3  ALA   2           HB3      ALA   2  14.514  -8.589  -2.394
   17    H    SER   3           H        SER   3  13.238 -10.569  -1.093
   18    HA   SER   3           HA       SER   3  10.620 -11.603  -1.627
   19    HB2  SER   3           HB2      SER   3  11.708 -10.246   0.870
   20    HB3  SER   3           HB3      SER   3  10.223 -11.206   0.771
   21    HG   SER   3           HG       SER   3  12.010 -12.442   1.536
   22    HA   PRO   4           HA       PRO   4   8.350  -7.755  -2.244
   23    HB2  PRO   4           HB2      PRO   4   5.793  -8.532  -1.727
   24    HB3  PRO   4           HB3      PRO   4   6.698  -9.115  -3.158
   25    HG2  PRO   4           HG2      PRO   4   6.354 -10.504  -0.475
   26    HG3  PRO   4           HG3      PRO   4   6.075 -11.189  -2.107
   27    HD2  PRO   4           HD2      PRO   4   8.413 -11.561  -0.753
   28    HD3  PRO   4           HD3      PRO   4   8.391 -11.353  -2.531
   29    H    HIS   5           H        HIS   5   7.003  -6.181  -1.042
   30    HA   HIS   5           HA       HIS   5   6.663  -6.476   1.840
   31    HB2  HIS   5           HB2      HIS   5   9.087  -5.947   1.646
   32    HB3  HIS   5           HB3      HIS   5   8.696  -4.502   0.717
   33    HD1  HIS   5           HD1      HIS   5   8.337  -5.873   4.322
   34    HD2  HIS   5           HD2      HIS   5   8.064  -2.320   2.080
   35    HE1  HIS   5           HE1      HIS   5   8.053  -3.981   6.007
   36    H    GLN   6           H        GLN   6   5.436  -4.765   2.785
   37    HA   GLN   6           HA       GLN   6   4.433  -2.501   1.274
   38    HB2  GLN   6           HB2      GLN   6   3.035  -4.245   0.280
   39    HB3  GLN   6           HB3      GLN   6   2.638  -4.893   1.870
   40    HG2  GLN   6           HG2      GLN   6   1.377  -2.840   2.417
   41    HG3  GLN   6           HG3      GLN   6   1.866  -2.112   0.876
   42   HE21  GLN   6          HE22      GLN   6   0.357  -5.278   1.964
   43   HE22  GLN   6          HE21      GLN   6  -0.897  -5.196   0.743
   44    H    GLU   7           H        GLU   7   3.869  -0.902   2.763
   45    HA   GLU   7           HA       GLU   7   4.211  -1.686   5.619
   46    HB2  GLU   7           HB2      GLU   7   5.938  -0.251   4.525
   47    HB3  GLU   7           HB3      GLU   7   4.713   1.020   4.348
   48    HG2  GLU   7           HG2      GLU   7   4.395   1.042   6.818
   49    HG3  GLU   7           HG3      GLU   7   5.630  -0.215   6.979
   50    HA   PRO   8           HA       PRO   8   0.102   0.288   6.156
   51    HB2  PRO   8           HB2      PRO   8  -0.576  -0.796   8.536
   52    HB3  PRO   8           HB3      PRO   8  -0.664  -1.738   7.012
   53    HG2  PRO   8           HG2      PRO   8   1.532  -1.775   9.092
   54    HG3  PRO   8           HG3      PRO   8   0.743  -3.161   8.277
   55    HD2  PRO   8           HD2      PRO   8   3.155  -2.057   7.492
   56    HD3  PRO   8           HD3      PRO   8   2.037  -2.879   6.358
   57    H    LYS   9           H        LYS   9  -0.235   2.240   7.234
   58    HA   LYS   9           HA       LYS   9   2.098   3.311   8.674
   59    HB2  LYS   9           HB2      LYS   9  -0.476   4.662   7.776
   60    HB3  LYS   9           HB3      LYS   9   0.968   5.477   8.375
   61    HG2  LYS   9           HG2      LYS   9   0.685   3.918   5.767
   62    HG3  LYS   9           HG3      LYS   9   0.877   5.652   5.971
   63    HD2  LYS   9           HD2      LYS   9   3.169   5.229   6.970
   64    HD3  LYS   9           HD3      LYS   9   2.992   3.508   6.510
   65    HE2  LYS   9           HE2      LYS   9   2.775   4.070   4.171
   66    HE3  LYS   9           HE3      LYS   9   2.707   5.799   4.529
   67    HZ1  LYS   9           HZ1      LYS   9   5.080   4.106   5.131
   68    HZ2  LYS   9           HZ2      LYS   9   4.931   5.047   3.789
   69    HZ3  LYS   9           HZ3      LYS   9   4.978   5.733   5.269
   70    HA   PRO  10           HA       PRO  10   0.522   2.808  12.781
   71    HB2  PRO  10           HB2      PRO  10   1.616   4.846  14.175
   72    HB3  PRO  10           HB3      PRO  10   2.595   3.495  13.499
   73    HG2  PRO  10           HG2      PRO  10   2.109   6.227  12.267
   74    HG3  PRO  10           HG3      PRO  10   3.680   5.396  12.532
   75    HD2  PRO  10           HD2      PRO  10   2.436   5.279  10.130
   76    HD3  PRO  10           HD3      PRO  10   3.240   3.826  10.798
   77    H    GLY  11           H        GLY  11  -1.352   3.044  13.566
   78    HA2  GLY  11           HA2      GLY  11  -3.349   4.014  14.284
   79    HA3  GLY  11           HA3      GLY  11  -2.937   5.544  13.471
   80    H    ASP  12           H        ASP  12  -2.439   3.128  11.189
   81    HA   ASP  12           HA       ASP  12  -5.092   3.770  10.099
   82    HB2  ASP  12           HB2      ASP  12  -2.615   4.168   8.976
   83    HB3  ASP  12           HB3      ASP  12  -3.197   2.727   8.130
   84    H    LEU  13           H        LEU  13  -5.978   2.406   8.421
   85    HA   LEU  13           HA       LEU  13  -6.755  -0.119   9.770
   86    HB2  LEU  13           HB2      LEU  13  -8.097   1.754   7.774
   87    HB3  LEU  13           HB3      LEU  13  -8.844   0.277   8.385
   88    HG   LEU  13           HG       LEU  13  -7.928   2.554  10.175
   89   HD11  LEU  13          HD11      LEU  13  -9.689   3.332   8.630
   90   HD12  LEU  13          HD12      LEU  13 -10.703   1.938   9.082
   91   HD13  LEU  13          HD13      LEU  13 -10.315   3.184  10.288
   92   HD21  LEU  13          HD21      LEU  13  -8.117   0.369  11.330
   93   HD22  LEU  13          HD22      LEU  13  -9.509   1.372  11.789
   94   HD23  LEU  13          HD23      LEU  13  -9.681   0.079  10.578
   95    H    ILE  14           H        ILE  14  -5.970  -1.878   9.029
   96    HA   ILE  14           HA       ILE  14  -5.340  -2.223   6.135
   97    HB   ILE  14           HB       ILE  14  -4.676  -4.287   8.212
   98   HG12  ILE  14          HG12      ILE  14  -2.921  -1.823   7.959
   99   HG13  ILE  14          HG13      ILE  14  -3.914  -2.221   9.360
  100   HG21  ILE  14          HG21      ILE  14  -4.270  -4.532   5.723
  101   HG22  ILE  14          HG22      ILE  14  -3.106  -3.195   5.824
  102   HG23  ILE  14          HG23      ILE  14  -2.808  -4.719   6.688
  103   HD11  ILE  14          HD11      ILE  14  -1.685  -2.927   9.843
  104   HD12  ILE  14          HD12      ILE  14  -2.696  -4.365   9.648
  105   HD13  ILE  14          HD13      ILE  14  -1.584  -3.866   8.349
  106    H    GLU  15           H        GLU  15  -6.548  -3.584   4.885
  107    HA   GLU  15           HA       GLU  15  -8.586  -5.371   6.158
  108    HB2  GLU  15           HB2      GLU  15  -8.221  -4.468   3.263
  109    HB3  GLU  15           HB3      GLU  15  -9.354  -5.710   3.810
  110    HG2  GLU  15           HG2      GLU  15 -10.397  -4.003   5.348
  111    HG3  GLU  15           HG3      GLU  15  -9.364  -2.773   4.595
  112    H    ILE  16           H        ILE  16  -7.837  -7.336   6.571
  113    HA   ILE  16           HA       ILE  16  -5.505  -8.471   5.095
  114    HB   ILE  16           HB       ILE  16  -6.878  -9.516   7.606
  115   HG12  ILE  16          HG12      ILE  16  -6.122  -7.295   8.210
  116   HG13  ILE  16          HG13      ILE  16  -5.164  -8.527   8.993
  117   HG21  ILE  16          HG21      ILE  16  -5.512 -11.175   6.430
  118   HG22  ILE  16          HG22      ILE  16  -4.131 -10.060   6.392
  119   HG23  ILE  16          HG23      ILE  16  -4.730 -10.708   7.939
  120   HD11  ILE  16          HD11      ILE  16  -4.302  -6.893   6.574
  121   HD12  ILE  16          HD12      ILE  16  -3.774  -6.659   8.247
  122   HD13  ILE  16          HD13      ILE  16  -3.312  -8.134   7.388
  123    H    PHE  17           H        PHE  17  -5.879  -9.892   3.519
  124    HA   PHE  17           HA       PHE  17  -8.489 -11.234   3.188
  125    HB2  PHE  17           HB2      PHE  17  -5.933 -11.230   1.542
  126    HB3  PHE  17           HB3      PHE  17  -7.387 -12.118   1.121
  127    HD1  PHE  17           HD1      PHE  17  -6.122  -8.623   1.732
  128    HD2  PHE  17           HD2      PHE  17  -9.118 -11.100  -0.136
  129    HE1  PHE  17           HE1      PHE  17  -7.008  -6.643   0.538
  130    HE2  PHE  17           HE2      PHE  17  -9.999  -9.116  -1.335
  131    HZ   PHE  17           HZ       PHE  17  -8.947  -6.883  -1.007
  132    H    ARG  18           H        ARG  18  -7.935 -12.135   5.455
  133    HA   ARG  18           HA       ARG  18  -5.949 -14.148   5.805
  134    HB2  ARG  18           HB2      ARG  18  -7.013 -12.950   7.664
  135    HB3  ARG  18           HB3      ARG  18  -8.571 -13.666   7.265
  136    HG2  ARG  18           HG2      ARG  18  -7.523 -14.724   9.229
  137    HG3  ARG  18           HG3      ARG  18  -7.833 -15.870   7.931
  138    HD2  ARG  18           HD2      ARG  18  -5.393 -15.664   7.254
  139    HD3  ARG  18           HD3      ARG  18  -5.141 -14.638   8.665
  140    HE   ARG  18           HE       ARG  18  -5.310 -16.494  10.062
  141   HH11  ARG  18          HH11      ARG  18  -6.216 -17.529   6.777
  142   HH12  ARG  18          HH12      ARG  18  -6.103 -19.215   7.196
  143   HH21  ARG  18          HH21      ARG  18  -5.201 -18.689  10.510
  144   HH22  ARG  18          HH22      ARG  18  -5.550 -19.860   9.278
  145    H    LEU  19           H        LEU  19  -9.114 -14.422   4.378
  146    HA   LEU  19           HA       LEU  19  -8.570 -17.015   3.319
  147    HB2  LEU  19           HB2      LEU  19 -10.371 -18.261   4.598
  148    HB3  LEU  19           HB3      LEU  19  -8.887 -17.882   5.438
  149    HG   LEU  19           HG       LEU  19  -9.925 -16.101   6.721
  150   HD11  LEU  19          HD11      LEU  19 -12.532 -16.861   5.333
  151   HD12  LEU  19          HD12      LEU  19 -12.386 -15.818   6.759
  152   HD13  LEU  19          HD13      LEU  19 -11.671 -15.298   5.235
  153   HD21  LEU  19          HD21      LEU  19  -9.897 -18.406   7.577
  154   HD22  LEU  19          HD22      LEU  19 -11.331 -17.533   8.136
  155   HD23  LEU  19          HD23      LEU  19 -11.474 -18.720   6.818
  156    H    GLY  20           H        GLY  20 -11.623 -17.551   3.287
  157    HA2  GLY  20           HA2      GLY  20 -12.232 -16.093   0.852
  158    HA3  GLY  20           HA3      GLY  20 -13.299 -17.209   1.730
  159    H    TYR  21           H        TYR  21 -11.830 -14.330   3.097
  160    HA   TYR  21           HA       TYR  21 -14.010 -12.491   2.938
  161    HB2  TYR  21           HB2      TYR  21 -14.948 -14.211   4.561
  162    HB3  TYR  21           HB3      TYR  21 -13.599 -13.861   5.631
  163    HD1  TYR  21           HD2      TYR  21 -16.341 -12.086   3.751
  164    HD2  TYR  21           HD1      TYR  21 -13.979 -12.296   7.357
  165    HE1  TYR  21           HE2      TYR  21 -17.702 -10.260   4.742
  166    HE2  TYR  21           HE1      TYR  21 -15.342 -10.468   8.359
  167    HH   TYR  21           HH       TYR  21 -18.048  -8.939   6.569
  168    H    GLU  22           H        GLU  22 -13.473 -10.474   4.076
  169    HA   GLU  22           HA       GLU  22 -10.541 -10.182   4.519
  170    HB2  GLU  22           HB2      GLU  22 -12.604  -8.116   3.666
  171    HB3  GLU  22           HB3      GLU  22 -10.922  -7.782   4.076
  172    HG2  GLU  22           HG2      GLU  22 -10.948  -7.890   1.734
  173    HG3  GLU  22           HG3      GLU  22 -10.221  -9.402   2.265
  174    H    HIS  23           H        HIS  23  -9.784  -9.620   6.440
  175    HA   HIS  23           HA       HIS  23 -11.699  -8.933   8.650
  176    HB2  HIS  23           HB2      HIS  23  -8.963 -10.277   8.654
  177    HB3  HIS  23           HB3      HIS  23  -9.847  -9.811  10.095
  178    HD1  HIS  23           HD1      HIS  23 -11.127 -11.785  11.127
  179    HD2  HIS  23           HD2      HIS  23 -10.612 -12.089   6.967
  180    HE1  HIS  23           HE1      HIS  23 -12.104 -14.042  10.446
  181    H    TRP  24           H        TRP  24 -11.433  -6.986   9.758
  182    HA   TRP  24           HA       TRP  24  -9.435  -5.085   8.784
  183    HB2  TRP  24           HB2      TRP  24 -11.561  -4.971  10.946
  184    HB3  TRP  24           HB3      TRP  24 -10.412  -3.685  10.657
  185    HD1  TRP  24           HD1      TRP  24 -13.742  -4.701   9.729
  186    HE1  TRP  24           HE1      TRP  24 -14.696  -3.277   7.841
  187    HE3  TRP  24           HE3      TRP  24  -9.411  -2.454   8.183
  188    HZ2  TRP  24           HZ2      TRP  24 -13.722  -1.310   5.959
  189    HZ3  TRP  24           HZ3      TRP  24  -9.471  -0.754   6.375
  190    HH2  TRP  24           HH2      TRP  24 -11.610  -0.167   5.265
  191    H    ALA  25           H        ALA  25  -7.656  -4.310   9.747
  192    HA   ALA  25           HA       ALA  25  -7.131  -4.863  12.612
  193    HB1  ALA  25           HB1      ALA  25  -5.851  -6.552  11.325
  194    HB2  ALA  25           HB2      ALA  25  -5.123  -5.261  10.346
  195    HB3  ALA  25           HB3      ALA  25  -4.751  -5.381  12.079
  196    H    LEU  26           H        LEU  26  -6.070  -3.254  13.706
  197    HA   LEU  26           HA       LEU  26  -5.486  -0.671  12.294
  198    HB2  LEU  26           HB2      LEU  26  -7.322  -0.844  14.100
  199    HB3  LEU  26           HB3      LEU  26  -6.057  -1.182  15.247
  200    HG   LEU  26           HG       LEU  26  -6.611   1.053  15.546
  201   HD11  LEU  26          HD11      LEU  26  -4.131   0.734  15.418
  202   HD12  LEU  26          HD12      LEU  26  -4.189   1.396  13.762
  203   HD13  LEU  26          HD13      LEU  26  -4.702   2.384  15.140
  204   HD21  LEU  26          HD21      LEU  26  -7.916   1.394  13.521
  205   HD22  LEU  26          HD22      LEU  26  -6.812   2.751  13.802
  206   HD23  LEU  26          HD23      LEU  26  -6.424   1.544  12.555
  207    H    TYR  27           H        TYR  27  -3.320  -0.397  11.999
  208    HA   TYR  27           HA       TYR  27  -1.309  -1.892  13.505
  209    HB2  TYR  27           HB2      TYR  27  -1.235  -1.149  11.071
  210    HB3  TYR  27           HB3      TYR  27  -0.937   0.471  11.634
  211    HD1  TYR  27           HD2      TYR  27   0.379  -3.041  12.017
  212    HD2  TYR  27           HD1      TYR  27   1.311   1.143  11.730
  213    HE1  TYR  27           HE2      TYR  27   2.796  -3.588  11.804
  214    HE2  TYR  27           HE1      TYR  27   3.715   0.612  11.475
  215    HH   TYR  27           HH       TYR  27   5.267  -1.060  11.245
  216    H    ILE  28           H        ILE  28  -1.415  -1.371  15.696
  217    HA   ILE  28           HA       ILE  28  -1.685   1.408  16.585
  218    HB   ILE  28           HB       ILE  28  -1.331   0.487  18.889
  219   HG12  ILE  28          HG12      ILE  28  -1.573  -2.277  17.650
  220   HG13  ILE  28          HG13      ILE  28  -0.012  -1.567  18.080
  221   HG21  ILE  28          HG21      ILE  28  -3.575  -0.415  18.988
  222   HG22  ILE  28          HG22      ILE  28  -3.523   0.903  17.826
  223   HG23  ILE  28          HG23      ILE  28  -3.553  -0.772  17.239
  224   HD11  ILE  28          HD11      ILE  28  -2.303  -2.024  20.041
  225   HD12  ILE  28          HD12      ILE  28  -0.850  -3.024  19.877
  226   HD13  ILE  28          HD13      ILE  28  -0.710  -1.343  20.429
  227    H    GLY  29           H        GLY  29   1.053  -0.236  15.542
  228    HA2  GLY  29           HA2      GLY  29   2.680   1.737  15.196
  229    HA3  GLY  29           HA3      GLY  29   2.869   1.707  16.939
  230    H    ASP  30           H        ASP  30   4.494   1.155  14.474
  231    HA   ASP  30           HA       ASP  30   6.362   0.214  13.896
  232    HB2  ASP  30           HB2      ASP  30   6.822   0.934  16.250
  233    HB3  ASP  30           HB3      ASP  30   6.500  -0.708  16.800
  234    H    GLY  31           H        GLY  31   4.094  -2.057  15.091
  235    HA2  GLY  31           HA2      GLY  31   4.559  -4.054  13.186
  236    HA3  GLY  31           HA3      GLY  31   5.500  -4.529  14.582
  237    H    TYR  32           H        TYR  32   3.296  -3.199  16.372
  238    HA   TYR  32           HA       TYR  32   1.707  -5.647  16.629
  239    HB2  TYR  32           HB2      TYR  32   1.867  -3.095  18.247
  240    HB3  TYR  32           HB3      TYR  32   0.737  -4.398  18.605
  241    HD1  TYR  32           HD2      TYR  32   1.520  -6.652  19.275
  242    HD2  TYR  32           HD1      TYR  32   4.252  -3.354  18.764
  243    HE1  TYR  32           HE2      TYR  32   3.255  -7.905  20.537
  244    HE2  TYR  32           HE1      TYR  32   5.993  -4.598  20.045
  245    HH   TYR  32           HH       TYR  32   5.402  -7.876  21.372
  246    H    VAL  33           H        VAL  33  -0.486  -5.917  16.446
  247    HA   VAL  33           HA       VAL  33  -2.076  -3.714  15.231
  248    HB   VAL  33           HB       VAL  33  -3.276  -5.403  13.838
  249   HG11  VAL  33          HG11      VAL  33  -1.673  -3.916  12.802
  250   HG12  VAL  33          HG12      VAL  33  -0.332  -5.024  13.187
  251   HG13  VAL  33          HG13      VAL  33  -1.601  -5.503  12.041
  252   HG21  VAL  33          HG21      VAL  33  -0.910  -7.234  14.400
  253   HG22  VAL  33          HG22      VAL  33  -2.574  -7.512  14.963
  254   HG23  VAL  33          HG23      VAL  33  -2.211  -7.507  13.235
  255    H    ILE  34           H        ILE  34  -4.188  -3.602  15.713
  256    HA   ILE  34           HA       ILE  34  -5.353  -5.491  17.758
  257    HB   ILE  34           HB       ILE  34  -6.049  -2.598  17.095
  258   HG12  ILE  34          HG12      ILE  34  -4.005  -2.758  18.438
  259   HG13  ILE  34          HG13      ILE  34  -5.333  -2.017  19.329
  260   HG21  ILE  34          HG21      ILE  34  -7.391  -4.526  19.023
  261   HG22  ILE  34          HG22      ILE  34  -7.630  -2.765  19.054
  262   HG23  ILE  34          HG23      ILE  34  -8.119  -3.693  17.633
  263   HD11  ILE  34          HD11      ILE  34  -4.205  -4.805  19.667
  264   HD12  ILE  34          HD12      ILE  34  -4.118  -3.446  20.812
  265   HD13  ILE  34          HD13      ILE  34  -5.673  -4.238  20.496
  266    H    HIS  35           H        HIS  35  -7.277  -6.570  17.136
  267    HA   HIS  35           HA       HIS  35  -8.507  -5.928  14.508
  268    HB2  HIS  35           HB2      HIS  35  -7.965  -8.149  13.600
  269    HB3  HIS  35           HB3      HIS  35  -6.513  -7.216  13.916
  270    HD1  HIS  35           HD1      HIS  35  -8.122 -10.502  14.846
  271    HD2  HIS  35           HD2      HIS  35  -5.071  -7.946  16.215
  272    HE1  HIS  35           HE1      HIS  35  -6.736 -11.854  16.494
  273    H    LEU  36           H        LEU  36 -10.554  -6.880  14.176
  274    HA   LEU  36           HA       LEU  36 -11.836  -7.996  16.610
  275    HB2  LEU  36           HB2      LEU  36 -12.792  -6.041  15.622
  276    HB3  LEU  36           HB3      LEU  36 -12.919  -6.782  14.038
  277    HG   LEU  36           HG       LEU  36 -15.020  -6.426  15.378
  278   HD11  LEU  36          HD11      LEU  36 -14.973  -7.933  13.429
  279   HD12  LEU  36          HD12      LEU  36 -14.595  -9.302  14.495
  280   HD13  LEU  36          HD13      LEU  36 -16.134  -8.449  14.661
  281   HD21  LEU  36          HD21      LEU  36 -14.113  -7.218  17.576
  282   HD22  LEU  36          HD22      LEU  36 -15.675  -7.925  17.126
  283   HD23  LEU  36          HD23      LEU  36 -14.196  -8.882  16.957
  284    H    ALA  37           H        ALA  37 -11.977 -10.091  16.843
  285    HA   ALA  37           HA       ALA  37 -11.857 -11.999  14.602
  286    HB1  ALA  37           HB1      ALA  37 -10.677 -12.467  16.713
  287    HB2  ALA  37           HB2      ALA  37 -12.206 -12.372  17.611
  288    HB3  ALA  37           HB3      ALA  37 -11.952 -13.669  16.424
  289    HA   PRO  38           HA       PRO  38 -16.320 -11.382  14.317
  290    HB2  PRO  38           HB2      PRO  38 -16.894 -12.990  12.158
  291    HB3  PRO  38           HB3      PRO  38 -15.987 -11.453  12.021
  292    HG2  PRO  38           HG2      PRO  38 -14.887 -14.272  12.233
  293    HG3  PRO  38           HG3      PRO  38 -14.464 -13.005  11.033
  294    HD2  PRO  38           HD2      PRO  38 -12.957 -13.440  13.259
  295    HD3  PRO  38           HD3      PRO  38 -13.218 -11.785  12.618
  296    HA   PRO  39           HA       PRO  39 -18.218 -14.822  16.418
  297    HB2  PRO  39           HB2      PRO  39 -20.836 -14.754  15.692
  298    HB3  PRO  39           HB3      PRO  39 -20.079 -13.465  16.670
  299    HG2  PRO  39           HG2      PRO  39 -20.616 -13.486  13.691
  300    HG3  PRO  39           HG3      PRO  39 -20.927 -12.167  14.861
  301    HD2  PRO  39           HD2      PRO  39 -18.692 -12.305  13.248
  302    HD3  PRO  39           HD3      PRO  39 -18.680 -11.509  14.835
  303    H    SER  40           H        SER  40 -18.274 -17.025  16.097
  304    HA   SER  40           HA       SER  40 -18.993 -18.359  13.623
  305    HB2  SER  40           HB2      SER  40 -16.833 -17.128  13.035
  306    HB3  SER  40           HB3      SER  40 -16.017 -18.162  14.218
  307    HG   SER  40           HG       SER  40 -15.965 -18.934  12.004
  308    H    GLU  41           H        GLU  41 -17.514 -20.628  13.761
  309    HA   GLU  41           HA       GLU  41 -18.564 -22.036  16.070
  310    HB2  GLU  41           HB2      GLU  41 -17.558 -24.010  15.085
  311    HB3  GLU  41           HB3      GLU  41 -18.456 -23.091  13.880
  312    HG2  GLU  41           HG2      GLU  41 -16.302 -22.145  13.024
  313    HG3  GLU  41           HG3      GLU  41 -15.421 -23.094  14.225
  314    H    TYR  42           H        TYR  42 -17.224 -23.473  17.425
  315    HA   TYR  42           HA       TYR  42 -14.564 -22.490  18.207
  316    HB2  TYR  42           HB2      TYR  42 -15.279 -21.822  20.440
  317    HB3  TYR  42           HB3      TYR  42 -16.125 -20.909  19.235
  318    HD1  TYR  42           HD1      TYR  42 -16.443 -23.462  21.872
  319    HD2  TYR  42           HD2      TYR  42 -18.556 -21.148  18.914
  320    HE1  TYR  42           HE1      TYR  42 -18.593 -24.020  22.979
  321    HE2  TYR  42           HE2      TYR  42 -20.706 -21.630  20.069
  322    HH   TYR  42           HH       TYR  42 -21.733 -22.721  21.835
  323    HA   PRO  43           HA       PRO  43 -13.571 -26.502  19.508
  324    HB2  PRO  43           HB2      PRO  43 -13.179 -25.590  22.364
  325    HB3  PRO  43           HB3      PRO  43 -12.116 -26.629  21.357
  326    HG2  PRO  43           HG2      PRO  43 -11.530 -24.014  21.640
  327    HG3  PRO  43           HG3      PRO  43 -11.459 -24.750  20.005
  328    HD2  PRO  43           HD2      PRO  43 -13.674 -23.100  21.238
  329    HD3  PRO  43           HD3      PRO  43 -12.945 -22.969  19.606
  330    H    GLY  44           H        GLY  44 -14.304 -28.452  20.387
  331    HA2  GLY  44           HA2      GLY  44 -15.847 -29.805  21.660
  332    HA3  GLY  44           HA3      GLY  44 -16.943 -28.403  21.806
  333    H    ALA  45           H        ALA  45 -16.086 -28.054  18.805
  334    HA   ALA  45           HA       ALA  45 -18.277 -29.372  17.475
  335    HB1  ALA  45           HB1      ALA  45 -17.178 -27.222  16.755
  336    HB2  ALA  45           HB2      ALA  45 -15.717 -28.136  16.344
  337    HB3  ALA  45           HB3      ALA  45 -17.224 -28.433  15.460
  338    H    GLY  46           H        GLY  46 -18.016 -30.838  15.609
  339    HA2  GLY  46           HA2      GLY  46 -15.735 -32.440  15.095
  340    HA3  GLY  46           HA3      GLY  46 -16.730 -33.315  16.241
  341    H    SER  47           H        SER  47 -16.123 -34.249  13.667
  342    HA   SER  47           HA       SER  47 -18.450 -33.927  11.903
  343    HB2  SER  47           HB2      SER  47 -17.271 -35.664  10.571
  344    HB3  SER  47           HB3      SER  47 -16.268 -34.253  10.933
  345    HG   SER  47           HG       SER  47 -15.153 -36.240  11.267
  346    H    SER  48           H        SER  48 -17.876 -35.761  14.690
  347    HA   SER  48           HA       SER  48 -20.347 -37.200  14.698
  348    HB2  SER  48           HB2      SER  48 -17.794 -38.772  14.129
  349    HB3  SER  48           HB3      SER  48 -19.237 -39.506  14.841
  350    HG   SER  48           HG       SER  48 -19.436 -37.989  12.476
  351    H    SER  49           H        SER  49 -20.419 -38.616  16.714
  352    HA   SER  49           HA       SER  49 -20.110 -39.132  18.887
  353    HB2  SER  49           HB2      SER  49 -17.240 -38.218  18.504
  354    HB3  SER  49           HB3      SER  49 -17.868 -39.235  19.803
  355    HG   SER  49           HG       SER  49 -16.911 -40.467  18.106
  356    H    VAL  50           H        VAL  50 -19.027 -35.871  18.130
  357    HA   VAL  50           HA       VAL  50 -20.424 -34.825  20.500
  358    HB   VAL  50           HB       VAL  50 -18.098 -35.367  21.286
  359   HG11  VAL  50          HG11      VAL  50 -16.838 -34.816  19.212
  360   HG12  VAL  50          HG12      VAL  50 -17.178 -33.091  19.481
  361   HG13  VAL  50          HG13      VAL  50 -16.202 -33.999  20.645
  362   HG21  VAL  50          HG21      VAL  50 -19.495 -33.665  22.408
  363   HG22  VAL  50          HG22      VAL  50 -17.763 -33.303  22.513
  364   HG23  VAL  50          HG23      VAL  50 -18.785 -32.407  21.377
  365    H    PHE  51           H        PHE  51 -21.090 -32.717  20.302
  366    HA   PHE  51           HA       PHE  51 -20.148 -30.972  18.173
  367    HB2  PHE  51           HB2      PHE  51 -21.826 -32.562  17.081
  368    HB3  PHE  51           HB3      PHE  51 -23.067 -31.831  18.083
  369    HD1  PHE  51           HD1      PHE  51 -20.384 -31.040  15.583
  370    HD2  PHE  51           HD2      PHE  51 -24.155 -29.827  17.283
  371    HE1  PHE  51           HE1      PHE  51 -20.581 -29.250  13.874
  372    HE2  PHE  51           HE2      PHE  51 -24.350 -28.041  15.576
  373    HZ   PHE  51           HZ       PHE  51 -22.570 -27.749  13.861
  374    H    SER  52           H        SER  52 -19.767 -30.543  20.723
  375    HA   SER  52           HA       SER  52 -21.863 -28.995  22.067
  376    HB2  SER  52           HB2      SER  52 -18.914 -29.378  22.710
  377    HB3  SER  52           HB3      SER  52 -20.127 -28.621  23.762
  378    HG   SER  52           HG       SER  52 -19.807 -30.823  24.288
  379    H    VAL  53           H        VAL  53 -21.977 -27.745  19.867
  380    HA   VAL  53           HA       VAL  53 -20.583 -25.149  20.093
  381    HB   VAL  53           HB       VAL  53 -19.017 -26.672  18.856
  382   HG11  VAL  53          HG11      VAL  53 -19.521 -27.362  16.549
  383   HG12  VAL  53          HG12      VAL  53 -20.656 -28.105  17.685
  384   HG13  VAL  53          HG13      VAL  53 -21.160 -26.725  16.686
  385   HG21  VAL  53          HG21      VAL  53 -20.069 -24.442  17.070
  386   HG22  VAL  53          HG22      VAL  53 -19.002 -24.219  18.481
  387   HG23  VAL  53          HG23      VAL  53 -18.455 -25.155  17.084
  388    H    LEU  54           H        LEU  54 -21.488 -23.504  18.813
  389    HA   LEU  54           HA       LEU  54 -23.660 -24.041  16.951
  390    HB2  LEU  54           HB2      LEU  54 -24.913 -24.017  19.070
  391    HB3  LEU  54           HB3      LEU  54 -24.200 -22.484  19.525
  392    HG   LEU  54           HG       LEU  54 -25.367 -21.374  17.612
  393   HD11  LEU  54          HD11      LEU  54 -26.602 -24.133  17.157
  394   HD12  LEU  54          HD12      LEU  54 -27.168 -22.614  16.417
  395   HD13  LEU  54          HD13      LEU  54 -25.565 -23.234  16.023
  396   HD21  LEU  54          HD21      LEU  54 -27.635 -21.513  18.564
  397   HD22  LEU  54          HD22      LEU  54 -27.196 -23.004  19.429
  398   HD23  LEU  54          HD23      LEU  54 -26.414 -21.464  19.844
  399    H    SER  55           H        SER  55 -22.778 -21.095  18.793
  400    HA   SER  55           HA       SER  55 -20.773 -20.198  16.932
  401    HB2  SER  55           HB2      SER  55 -23.504 -18.877  16.788
  402    HB3  SER  55           HB3      SER  55 -22.010 -18.029  16.350
  403    HG   SER  55           HG       SER  55 -22.590 -20.560  15.247
  404    H    ASN  56           H        ASN  56 -19.392 -18.884  17.970
  405    HA   ASN  56           HA       ASN  56 -19.951 -18.023  20.718
  406    HB2  ASN  56           HB2      ASN  56 -17.760 -19.067  19.725
  407    HB3  ASN  56           HB3      ASN  56 -17.471 -17.453  19.071
  408   HD21  ASN  56          HD22      ASN  56 -15.483 -18.149  20.582
  409   HD22  ASN  56          HD21      ASN  56 -15.593 -17.509  22.212
  410    H    SER  57           H        SER  57 -19.165 -15.755  21.339
  411    HA   SER  57           HA       SER  57 -20.317 -13.675  19.599
  412    HB2  SER  57           HB2      SER  57 -18.820 -13.444  22.242
  413    HB3  SER  57           HB3      SER  57 -19.744 -12.157  21.440
  414    HG   SER  57           HG       SER  57 -20.870 -13.332  23.161
  415    H    ALA  58           H        ALA  58 -19.048 -11.670  19.118
  416    HA   ALA  58           HA       ALA  58 -16.443 -12.314  17.897
  417    HB1  ALA  58           HB1      ALA  58 -18.275 -10.938  16.789
  418    HB2  ALA  58           HB2      ALA  58 -18.009  -9.692  18.008
  419    HB3  ALA  58           HB3      ALA  58 -16.702 -10.115  16.883
  420    H    GLU  59           H        GLU  59 -14.535 -10.940  18.359
  421    HA   GLU  59           HA       GLU  59 -14.524  -9.454  20.897
  422    HB2  GLU  59           HB2      GLU  59 -14.232 -11.821  21.595
  423    HB3  GLU  59           HB3      GLU  59 -12.797 -11.935  20.563
  424    HG2  GLU  59           HG2      GLU  59 -11.655 -10.241  21.924
  425    HG3  GLU  59           HG3      GLU  59 -13.126  -9.956  22.861
  426    H    VAL  60           H        VAL  60 -13.030  -7.873  20.988
  427    HA   VAL  60           HA       VAL  60 -11.204  -7.431  18.706
  428    HB   VAL  60           HB       VAL  60 -11.497  -5.801  21.245
  429   HG11  VAL  60          HG11      VAL  60 -10.267  -5.144  18.519
  430   HG12  VAL  60          HG12      VAL  60 -10.445  -3.997  19.862
  431   HG13  VAL  60          HG13      VAL  60  -9.369  -5.391  20.026
  432   HG21  VAL  60          HG21      VAL  60 -12.842  -4.228  19.860
  433   HG22  VAL  60          HG22      VAL  60 -12.838  -5.412  18.536
  434   HG23  VAL  60          HG23      VAL  60 -13.645  -5.784  20.076
  435    H    LYS  61           H        LYS  61  -9.150  -8.100  18.685
  436    HA   LYS  61           HA       LYS  61  -7.731  -8.929  21.195
  437    HB2  LYS  61           HB2      LYS  61  -7.967 -10.501  18.585
  438    HB3  LYS  61           HB3      LYS  61  -7.065 -10.997  20.024
  439    HG2  LYS  61           HG2      LYS  61  -9.276 -10.939  21.302
  440    HG3  LYS  61           HG3      LYS  61 -10.077 -10.650  19.761
  441    HD2  LYS  61           HD2      LYS  61 -10.339 -12.931  20.117
  442    HD3  LYS  61           HD3      LYS  61  -9.100 -12.785  18.876
  443    HE2  LYS  61           HE2      LYS  61  -8.542 -14.545  20.451
  444    HE3  LYS  61           HE3      LYS  61  -7.332 -13.260  20.570
  445    HZ1  LYS  61           HZ1      LYS  61  -8.282 -12.559  22.627
  446    HZ2  LYS  61           HZ2      LYS  61  -9.669 -13.394  22.417
  447    HZ3  LYS  61           HZ3      LYS  61  -8.259 -14.188  22.739
  448    H    ARG  62           H        ARG  62  -5.368  -9.632  20.514
  449    HA   ARG  62           HA       ARG  62  -4.102  -7.480  18.888
  450    HB2  ARG  62           HB2      ARG  62  -4.403  -6.619  21.159
  451    HB3  ARG  62           HB3      ARG  62  -3.628  -8.041  21.846
  452    HG2  ARG  62           HG2      ARG  62  -1.466  -7.396  20.837
  453    HG3  ARG  62           HG3      ARG  62  -2.237  -6.063  19.977
  454    HD2  ARG  62           HD2      ARG  62  -1.069  -5.196  21.908
  455    HD3  ARG  62           HD3      ARG  62  -2.813  -4.999  22.148
  456    HE   ARG  62           HE       ARG  62  -1.778  -7.478  23.278
  457   HH11  ARG  62          HH11      ARG  62  -2.015  -4.028  24.019
  458   HH12  ARG  62          HH12      ARG  62  -1.987  -4.302  25.731
  459   HH21  ARG  62          HH21      ARG  62  -1.762  -7.763  25.501
  460   HH22  ARG  62          HH22      ARG  62  -1.819  -6.388  26.557
  461    H    GLU  63           H        GLU  63  -2.113  -7.947  18.075
  462    HA   GLU  63           HA       GLU  63  -0.151  -9.704  18.943
  463    HB2  GLU  63           HB2      GLU  63  -0.205 -11.556  17.328
  464    HB3  GLU  63           HB3      GLU  63  -1.496 -11.622  18.486
  465    HG2  GLU  63           HG2      GLU  63  -3.012 -10.570  16.717
  466    HG3  GLU  63           HG3      GLU  63  -1.689 -10.767  15.579
  467    H    ARG  64           H        ARG  64   1.087 -10.356  16.469
  468    HA   ARG  64           HA       ARG  64   1.717  -7.584  15.570
  469    HB2  ARG  64           HB2      ARG  64   3.361 -10.133  15.623
  470    HB3  ARG  64           HB3      ARG  64   3.862  -8.648  14.803
  471    HG2  ARG  64           HG2      ARG  64   3.627  -7.380  16.942
  472    HG3  ARG  64           HG3      ARG  64   3.182  -8.878  17.771
  473    HD2  ARG  64           HD2      ARG  64   5.558  -8.353  18.150
  474    HD3  ARG  64           HD3      ARG  64   5.392  -9.849  17.236
  475    HE   ARG  64           HE       ARG  64   6.295  -8.843  15.317
  476   HH11  ARG  64          HH11      ARG  64   5.988  -6.260  17.755
  477   HH12  ARG  64          HH12      ARG  64   6.961  -5.185  16.797
  478   HH21  ARG  64          HH21      ARG  64   7.320  -7.503  14.186
  479   HH22  ARG  64          HH22      ARG  64   7.748  -5.880  14.729
  480    H    LEU  65           H        LEU  65   2.174  -7.034  13.506
  481    HA   LEU  65           HA       LEU  65   0.332  -7.718  11.531
  482    HB2  LEU  65           HB2      LEU  65   1.659  -5.617  11.634
  483    HB3  LEU  65           HB3      LEU  65   3.129  -6.513  11.267
  484    HG   LEU  65           HG       LEU  65   2.044  -7.181   9.034
  485   HD11  LEU  65          HD11      LEU  65  -0.314  -6.727   9.612
  486   HD12  LEU  65          HD12      LEU  65   0.073  -5.014   9.861
  487   HD13  LEU  65          HD13      LEU  65   0.197  -5.735   8.235
  488   HD21  LEU  65          HD21      LEU  65   2.540  -4.233   9.547
  489   HD22  LEU  65          HD22      LEU  65   3.775  -5.461   9.199
  490   HD23  LEU  65          HD23      LEU  65   2.572  -5.045   7.971
  491    H    GLU  66           H        GLU  66   3.822  -8.718  11.536
  492    HA   GLU  66           HA       GLU  66   3.671 -10.217   9.176
  493    HB2  GLU  66           HB2      GLU  66   5.752 -11.254   9.876
  494    HB3  GLU  66           HB3      GLU  66   5.777  -9.516  10.056
  495    HG2  GLU  66           HG2      GLU  66   5.172 -11.266  12.460
  496    HG3  GLU  66           HG3      GLU  66   6.811 -11.109  11.862
  497    H    ASP  67           H        ASP  67   2.821 -11.362  12.468
  498    HA   ASP  67           HA       ASP  67   2.512 -14.118  11.576
  499    HB2  ASP  67           HB2      ASP  67   3.014 -13.340  13.942
  500    HB3  ASP  67           HB3      ASP  67   1.333 -12.808  14.048
  501    H    VAL  68           H        VAL  68   0.403 -11.304  11.774
  502    HA   VAL  68           HA       VAL  68  -2.042 -12.686  11.084
  503    HB   VAL  68           HB       VAL  68  -1.284  -9.751  11.106
  504   HG11  VAL  68          HG11      VAL  68  -3.699  -9.242  10.814
  505   HG12  VAL  68          HG12      VAL  68  -2.960  -9.913   9.363
  506   HG13  VAL  68          HG13      VAL  68  -3.991 -10.943  10.391
  507   HG21  VAL  68          HG21      VAL  68  -2.872  -9.687  13.002
  508   HG22  VAL  68          HG22      VAL  68  -3.167 -11.420  12.820
  509   HG23  VAL  68          HG23      VAL  68  -1.564 -10.838  13.299
  510    H    VAL  69           H        VAL  69   0.354 -10.757   9.146
  511    HA   VAL  69           HA       VAL  69  -1.079 -11.290   6.688
  512    HB   VAL  69           HB       VAL  69   0.654 -10.031   5.618
  513   HG11  VAL  69          HG11      VAL  69   0.203  -7.844   6.680
  514   HG12  VAL  69          HG12      VAL  69  -1.244  -8.853   6.576
  515   HG13  VAL  69          HG13      VAL  69  -0.388  -8.677   8.126
  516   HG21  VAL  69          HG21      VAL  69   2.063  -9.355   8.140
  517   HG22  VAL  69          HG22      VAL  69   2.614 -10.686   7.088
  518   HG23  VAL  69          HG23      VAL  69   2.523  -9.024   6.483
  519    H    GLY  70           H        GLY  70   1.151 -13.216   8.403
  520    HA2  GLY  70           HA2      GLY  70   2.769 -14.351   6.421
  521    HA3  GLY  70           HA3      GLY  70   2.183 -15.206   7.857
  522    H    GLY  71           H        GLY  71   2.259 -15.243   4.552
  523    HA2  GLY  71           HA2      GLY  71   1.320 -16.640   2.967
  524    HA3  GLY  71           HA3      GLY  71   0.329 -17.394   4.234
  525    H    CYS  72           H        CYS  72  -0.118 -14.005   4.162
  526    HA   CYS  72           HA       CYS  72  -2.716 -14.314   2.695
  527    HB2  CYS  72           HB2      CYS  72  -2.115 -12.711   5.231
  528    HB3  CYS  72           HB3      CYS  72  -3.678 -12.823   4.417
  529    HG   CYS  72           HG       CYS  72  -1.878 -15.262   5.805
  530    H    CYS  73           H        CYS  73  -3.559 -12.502   1.643
  531    HA   CYS  73           HA       CYS  73  -1.667 -10.332   0.903
  532    HB2  CYS  73           HB2      CYS  73  -4.458 -11.039  -0.127
  533    HB3  CYS  73           HB3      CYS  73  -3.461  -9.706  -0.721
  534    HG   CYS  73           HG       CYS  73  -3.350 -11.712  -2.435
  535    H    TYR  74           H        TYR  74  -2.375  -8.084   1.014
  536    HA   TYR  74           HA       TYR  74  -4.556  -7.314   2.745
  537    HB2  TYR  74           HB2      TYR  74  -3.301  -6.343   4.556
  538    HB3  TYR  74           HB3      TYR  74  -2.998  -8.055   4.476
  539    HD1  TYR  74           HD1      TYR  74  -0.785  -8.893   3.492
  540    HD2  TYR  74           HD2      TYR  74  -1.496  -4.758   4.504
  541    HE1  TYR  74           HE1      TYR  74   1.666  -8.506   3.639
  542    HE2  TYR  74           HE2      TYR  74   0.949  -4.376   4.673
  543    HH   TYR  74           HH       TYR  74   3.045  -5.302   4.470
  544    H    ARG  75           H        ARG  75  -4.625  -4.933   3.172
  545    HA   ARG  75           HA       ARG  75  -2.919  -3.093   1.723
  546    HB2  ARG  75           HB2      ARG  75  -4.509  -4.135  -0.076
  547    HB3  ARG  75           HB3      ARG  75  -5.815  -3.325   0.760
  548    HG2  ARG  75           HG2      ARG  75  -5.169  -2.046  -1.158
  549    HG3  ARG  75           HG3      ARG  75  -4.702  -1.116   0.267
  550    HD2  ARG  75           HD2      ARG  75  -2.356  -1.830  -0.015
  551    HD3  ARG  75           HD3      ARG  75  -2.823  -2.890  -1.365
  552    HE   ARG  75           HE       ARG  75  -3.700  -0.271  -1.980
  553   HH11  ARG  75          HH12      ARG  75  -0.595  -1.942  -1.587
  554   HH12  ARG  75          HH11      ARG  75   0.202  -0.913  -2.746
  555   HH21  ARG  75          HH21      ARG  75  -2.604   1.026  -3.450
  556   HH22  ARG  75          HH22      ARG  75  -0.920   0.751  -3.779
  557    H    VAL  76           H        VAL  76  -3.381  -0.845   2.389
  558    HA   VAL  76           HA       VAL  76  -5.222  -0.624   4.705
  559    HB   VAL  76           HB       VAL  76  -3.161   1.302   3.637
  560   HG11  VAL  76          HG11      VAL  76  -3.628   2.791   5.535
  561   HG12  VAL  76          HG12      VAL  76  -5.036   2.695   4.482
  562   HG13  VAL  76          HG13      VAL  76  -5.011   1.808   6.027
  563   HG21  VAL  76          HG21      VAL  76  -2.118   0.929   5.853
  564   HG22  VAL  76          HG22      VAL  76  -3.439  -0.166   6.297
  565   HG23  VAL  76          HG23      VAL  76  -2.314  -0.602   4.991
  566    H    ASN  77           H        ASN  77  -7.079   0.560   4.738
  567    HA   ASN  77           HA       ASN  77  -7.969   1.918   2.222
  568    HB2  ASN  77           HB2      ASN  77  -8.865  -0.365   2.266
  569    HB3  ASN  77           HB3      ASN  77  -9.557  -0.095   3.863
  570   HD21  ASN  77          HD22      ASN  77 -11.360  -0.957   2.194
  571   HD22  ASN  77          HD21      ASN  77 -12.383   0.354   1.580
  572    H    ASN  78           H        ASN  78  -8.821   3.832   2.499
  573    HA   ASN  78           HA       ASN  78  -9.735   4.782   5.193
  574    HB2  ASN  78           HB2      ASN  78  -8.000   6.106   3.042
  575    HB3  ASN  78           HB3      ASN  78  -8.727   7.015   4.358
  576   HD21  ASN  78          HD22      ASN  78  -8.451   5.625   6.636
  577   HD22  ASN  78          HD21      ASN  78  -6.778   5.100   6.849
  578    H    SER  79           H        SER  79 -11.370   3.711   2.860
  579    HA   SER  79           HA       SER  79 -12.481   5.813   1.356
  580    HB2  SER  79           HB2      SER  79 -13.752   3.176   2.180
  581    HB3  SER  79           HB3      SER  79 -14.403   4.263   0.947
  582    HG   SER  79           HG       SER  79 -11.908   2.874   0.894
  583    H    LEU  80           H        LEU  80 -13.303   5.064   4.689
  584    HA   LEU  80           HA       LEU  80 -15.515   7.061   4.618
  585    HB2  LEU  80           HB2      LEU  80 -14.627   4.918   6.505
  586    HB3  LEU  80           HB3      LEU  80 -15.316   6.359   7.244
  587    HG   LEU  80           HG       LEU  80 -16.731   4.774   5.064
  588   HD11  LEU  80          HD11      LEU  80 -16.940   4.610   8.110
  589   HD12  LEU  80          HD12      LEU  80 -18.115   3.885   6.983
  590   HD13  LEU  80          HD13      LEU  80 -16.439   3.324   6.989
  591   HD21  LEU  80          HD21      LEU  80 -17.751   6.844   7.064
  592   HD22  LEU  80          HD22      LEU  80 -17.529   7.139   5.330
  593   HD23  LEU  80          HD23      LEU  80 -18.741   5.975   5.879
  594    H    ASP  81           H        ASP  81 -12.225   6.733   6.020
  595    HA   ASP  81           HA       ASP  81 -12.202   9.217   7.422
  596    HB2  ASP  81           HB2      ASP  81  -9.897   7.897   5.920
  597    HB3  ASP  81           HB3      ASP  81  -9.741   9.100   7.185
  598    H    HIS  82           H        HIS  82 -11.625   8.457   4.052
  599    HA   HIS  82           HA       HIS  82 -10.851  10.889   2.886
  600    HB2  HIS  82           HB2      HIS  82 -10.973   8.664   1.785
  601    HB3  HIS  82           HB3      HIS  82 -12.727   8.672   1.909
  602    HD1  HIS  82           HD1      HIS  82 -14.059  10.263   0.143
  603    HD2  HIS  82           HD2      HIS  82  -9.850  10.176  -0.153
  604    HE1  HIS  82           HE1      HIS  82 -13.470  11.306  -2.105
  605    H    GLU  83           H        GLU  83 -14.014  10.036   4.226
  606    HA   GLU  83           HA       GLU  83 -15.398  12.266   2.885
  607    HB2  GLU  83           HB2      GLU  83 -16.470  10.298   4.940
  608    HB3  GLU  83           HB3      GLU  83 -17.400  11.410   3.956
  609    HG2  GLU  83           HG2      GLU  83 -15.813   9.026   2.930
  610    HG3  GLU  83           HG3      GLU  83 -17.561   9.140   3.082
  611    H    TYR  84           H        TYR  84 -13.615  11.790   5.794
  612    HA   TYR  84           HA       TYR  84 -15.091  13.995   7.189
  613    HB2  TYR  84           HB2      TYR  84 -13.628  11.641   8.405
  614    HB3  TYR  84           HB3      TYR  84 -14.535  12.880   9.265
  615    HD1  TYR  84           HD2      TYR  84 -17.085  13.051   7.736
  616    HD2  TYR  84           HD1      TYR  84 -14.684   9.633   8.841
  617    HE1  TYR  84           HE2      TYR  84 -19.099  11.601   7.648
  618    HE2  TYR  84           HE1      TYR  84 -16.686   8.194   8.785
  619    HH   TYR  84           HH       TYR  84 -18.952   8.091   8.336
  620    H    GLN  85           H        GLN  85 -11.745  12.543   7.274
  621    HA   GLN  85           HA       GLN  85 -11.223  14.878   9.040
  622    HB2  GLN  85           HB2      GLN  85 -10.633  13.362  10.761
  623    HB3  GLN  85           HB3      GLN  85 -12.252  13.052  10.140
  624    HG2  GLN  85           HG2      GLN  85 -11.337  11.081   8.858
  625    HG3  GLN  85           HG3      GLN  85  -9.759  11.384   9.587
  626   HE21  GLN  85          HE22      GLN  85 -10.520   8.903  10.196
  627   HE22  GLN  85          HE21      GLN  85 -11.265   8.902  11.809
  628    HA   PRO  86           HA       PRO  86  -6.831  14.837   7.977
  629    HB2  PRO  86           HB2      PRO  86  -5.846  16.374   9.993
  630    HB3  PRO  86           HB3      PRO  86  -6.886  17.061   8.703
  631    HG2  PRO  86           HG2      PRO  86  -7.714  16.144  11.481
  632    HG3  PRO  86           HG3      PRO  86  -8.098  17.699  10.670
  633    HD2  PRO  86           HD2      PRO  86  -9.829  15.599  10.655
  634    HD3  PRO  86           HD3      PRO  86  -9.659  16.677   9.242
  635    H    ARG  87           H        ARG  87  -8.177  13.361  10.768
  636    HA   ARG  87           HA       ARG  87  -7.682  11.495  11.827
  637    HB2  ARG  87           HB2      ARG  87  -6.454  11.153   9.580
  638    HB3  ARG  87           HB3      ARG  87  -4.973  11.302  10.510
  639    HG2  ARG  87           HG2      ARG  87  -5.351   9.013  10.405
  640    HG3  ARG  87           HG3      ARG  87  -5.933   9.411  12.020
  641    HD2  ARG  87           HD2      ARG  87  -8.240   9.345  11.307
  642    HD3  ARG  87           HD3      ARG  87  -7.798   9.331   9.596
  643    HE   ARG  87           HE       ARG  87  -8.051   7.053  11.292
  644   HH11  ARG  87          HH11      ARG  87  -6.065   8.135   8.536
  645   HH12  ARG  87          HH12      ARG  87  -5.705   6.494   8.074
  646   HH21  ARG  87          HH21      ARG  87  -7.612   4.988  10.507
  647   HH22  ARG  87          HH22      ARG  87  -6.683   4.827   9.023
  648    HA   PRO  88           HA       PRO  88  -5.057  13.211  15.239
  649    HB2  PRO  88           HB2      PRO  88  -6.729  12.727  17.304
  650    HB3  PRO  88           HB3      PRO  88  -6.975  14.119  16.211
  651    HG2  PRO  88           HG2      PRO  88  -8.320  11.402  16.077
  652    HG3  PRO  88           HG3      PRO  88  -9.089  13.017  16.063
  653    HD2  PRO  88           HD2      PRO  88  -8.545  11.634  13.769
  654    HD3  PRO  88           HD3      PRO  88  -8.394  13.418  13.833
  655    H    VAL  89           H        VAL  89  -3.742  11.441  14.454
  656    HA   VAL  89           HA       VAL  89  -4.403   8.728  14.720
  657    HB   VAL  89           HB       VAL  89  -1.837  10.219  14.250
  658   HG11  VAL  89          HG11      VAL  89  -0.967   8.281  15.409
  659   HG12  VAL  89          HG12      VAL  89  -1.999   7.194  14.458
  660   HG13  VAL  89          HG13      VAL  89  -0.684   8.095  13.678
  661   HG21  VAL  89          HG21      VAL  89  -2.105   9.171  12.010
  662   HG22  VAL  89          HG22      VAL  89  -3.547   8.303  12.586
  663   HG23  VAL  89          HG23      VAL  89  -3.556  10.065  12.473
  664    H    GLU  90           H        GLU  90  -2.900  10.749  17.224
  665    HA   GLU  90           HA       GLU  90  -2.172   8.517  18.939
  666    HB2  GLU  90           HB2      GLU  90  -2.910  11.348  19.804
  667    HB3  GLU  90           HB3      GLU  90  -1.993  10.152  20.726
  668    HG2  GLU  90           HG2      GLU  90  -0.240  10.220  18.885
  669    HG3  GLU  90           HG3      GLU  90  -1.142  11.576  18.179
  670    H    VAL  91           H        VAL  91  -5.137  10.461  18.588
  671    HA   VAL  91           HA       VAL  91  -6.506   9.248  20.847
  672    HB   VAL  91           HB       VAL  91  -7.629  10.750  18.453
  673   HG11  VAL  91          HG11      VAL  91  -9.594  11.218  19.907
  674   HG12  VAL  91          HG12      VAL  91  -9.439   9.502  19.526
  675   HG13  VAL  91          HG13      VAL  91  -8.941  10.102  21.128
  676   HG21  VAL  91          HG21      VAL  91  -7.682  12.713  19.965
  677   HG22  VAL  91          HG22      VAL  91  -6.897  11.754  21.239
  678   HG23  VAL  91          HG23      VAL  91  -6.033  12.134  19.736
  679    H    ILE  92           H        ILE  92  -6.275   8.569  17.383
  680    HA   ILE  92           HA       ILE  92  -8.264   6.433  17.393
  681    HB   ILE  92           HB       ILE  92  -6.213   7.467  15.401
  682   HG12  ILE  92          HG12      ILE  92  -9.268   7.638  15.595
  683   HG13  ILE  92          HG13      ILE  92  -8.180   8.906  16.094
  684   HG21  ILE  92          HG21      ILE  92  -8.255   5.250  14.954
  685   HG22  ILE  92          HG22      ILE  92  -7.329   6.070  13.677
  686   HG23  ILE  92          HG23      ILE  92  -6.490   5.103  14.883
  687   HD11  ILE  92          HD11      ILE  92  -7.368   9.199  13.811
  688   HD12  ILE  92          HD12      ILE  92  -8.523   7.955  13.245
  689   HD13  ILE  92          HD13      ILE  92  -9.118   9.459  13.954
  690    H    ILE  93           H        ILE  93  -4.656   6.388  17.580
  691    HA   ILE  93           HA       ILE  93  -4.505   3.498  17.878
  692    HB   ILE  93           HB       ILE  93  -2.647   5.787  18.651
  693   HG12  ILE  93          HG12      ILE  93  -2.397   3.586  16.537
  694   HG13  ILE  93          HG13      ILE  93  -3.047   5.187  16.208
  695   HG21  ILE  93          HG21      ILE  93  -0.900   4.071  19.118
  696   HG22  ILE  93          HG22      ILE  93  -2.218   3.988  20.264
  697   HG23  ILE  93          HG23      ILE  93  -2.125   2.794  18.953
  698   HD11  ILE  93          HD11      ILE  93  -0.901   6.218  16.867
  699   HD12  ILE  93          HD12      ILE  93  -0.194   4.594  17.086
  700   HD13  ILE  93          HD13      ILE  93  -0.736   5.101  15.494
  701    H    SER  94           H        SER  94  -4.836   6.140  20.351
  702    HA   SER  94           HA       SER  94  -4.776   4.215  22.488
  703    HB2  SER  94           HB2      SER  94  -5.633   6.052  23.910
  704    HB3  SER  94           HB3      SER  94  -4.160   6.434  23.011
  705    HG   SER  94           HG       SER  94  -5.299   7.714  21.632
  706    H    SER  95           H        SER  95  -7.501   5.436  20.517
  707    HA   SER  95           HA       SER  95  -9.598   4.206  21.997
  708    HB2  SER  95           HB2      SER  95  -9.924   5.765  20.070
  709    HB3  SER  95           HB3      SER  95  -9.401   4.474  18.969
  710    HG   SER  95           HG       SER  95 -11.717   4.511  19.191
  711    H    ALA  96           H        ALA  96  -7.480   2.783  19.415
  712    HA   ALA  96           HA       ALA  96  -8.658   0.163  19.506
  713    HB1  ALA  96           HB1      ALA  96  -7.240   1.151  17.692
  714    HB2  ALA  96           HB2      ALA  96  -5.825   0.995  18.743
  715    HB3  ALA  96           HB3      ALA  96  -6.700  -0.458  18.205
  716    H    LYS  97           H        LYS  97  -5.808   1.487  21.240
  717    HA   LYS  97           HA       LYS  97  -5.305  -0.932  22.728
  718    HB2  LYS  97           HB2      LYS  97  -4.490   1.953  23.238
  719    HB3  LYS  97           HB3      LYS  97  -3.879   0.547  24.126
  720    HG2  LYS  97           HG2      LYS  97  -2.915  -0.397  22.079
  721    HG3  LYS  97           HG3      LYS  97  -3.582   0.920  21.113
  722    HD2  LYS  97           HD2      LYS  97  -1.250   1.348  21.481
  723    HD3  LYS  97           HD3      LYS  97  -2.197   2.556  22.364
  724    HE2  LYS  97           HE2      LYS  97  -1.859   1.291  24.480
  725    HE3  LYS  97           HE3      LYS  97  -0.968   0.039  23.599
  726    HZ1  LYS  97           HZ1      LYS  97  -0.118   2.875  23.881
  727    HZ2  LYS  97           HZ2      LYS  97   0.537   1.604  24.666
  728    HZ3  LYS  97           HZ3      LYS  97   0.709   1.732  23.046
  729    H    GLU  98           H        GLU  98  -7.748   1.520  23.269
  730    HA   GLU  98           HA       GLU  98  -8.367   0.479  25.935
  731    HB2  GLU  98           HB2      GLU  98  -9.608   2.588  24.149
  732    HB3  GLU  98           HB3      GLU  98 -10.407   2.030  25.614
  733    HG2  GLU  98           HG2      GLU  98  -7.587   3.184  25.594
  734    HG3  GLU  98           HG3      GLU  98  -9.046   4.127  25.885
  735    H    MET  99           H        MET  99  -9.710   0.275  22.642
  736    HA   MET  99           HA       MET  99 -11.991  -1.333  23.291
  737    HB2  MET  99           HB2      MET  99 -10.484  -0.752  20.722
  738    HB3  MET  99           HB3      MET  99 -11.855  -1.850  20.742
  739    HG2  MET  99           HG2      MET  99 -11.970   1.021  21.746
  740    HG3  MET  99           HG3      MET  99 -12.437   0.521  20.139
  741    HE1  MET  99           HE1      MET  99 -14.405  -0.988  19.520
  742    HE2  MET  99           HE2      MET  99 -14.080  -2.295  20.691
  743    HE3  MET  99           HE3      MET  99 -15.678  -1.532  20.638
  744    H    VAL 100           H        VAL 100  -8.665  -2.316  22.628
  745    HA   VAL 100           HA       VAL 100  -8.984  -5.020  22.164
  746    HB   VAL 100           HB       VAL 100  -6.836  -3.788  22.345
  747   HG11  VAL 100          HG11      VAL 100  -5.600  -3.573  24.341
  748   HG12  VAL 100          HG12      VAL 100  -7.202  -2.883  24.680
  749   HG13  VAL 100          HG13      VAL 100  -6.790  -4.494  25.290
  750   HG21  VAL 100          HG21      VAL 100  -6.957  -6.492  23.741
  751   HG22  VAL 100          HG22      VAL 100  -6.909  -6.211  21.989
  752   HG23  VAL 100          HG23      VAL 100  -5.523  -5.764  22.999
  753    H    GLY 101           H        GLY 101  -9.788  -6.720  23.106
  754    HA2  GLY 101           HA2      GLY 101 -10.414  -8.203  24.816
  755    HA3  GLY 101           HA3      GLY 101 -10.237  -6.920  26.032
  756    H    GLN 102           H        GLN 102 -12.109  -5.455  23.690
  757    HA   GLN 102           HA       GLN 102 -14.603  -5.930  25.110
  758    HB2  GLN 102           HB2      GLN 102 -13.934  -4.420  22.542
  759    HB3  GLN 102           HB3      GLN 102 -15.550  -4.515  23.221
  760    HG2  GLN 102           HG2      GLN 102 -13.168  -3.344  24.729
  761    HG3  GLN 102           HG3      GLN 102 -14.319  -2.412  23.774
  762   HE21  GLN 102          HE22      GLN 102 -16.641  -2.379  24.512
  763   HE22  GLN 102          HE21      GLN 102 -16.965  -2.681  26.210
  764    H    LYS 103           H        LYS 103 -16.262  -7.139  24.566
  765    HA   LYS 103           HA       LYS 103 -16.145  -8.935  22.198
  766    HB2  LYS 103           HB2      LYS 103 -17.689  -9.059  24.814
  767    HB3  LYS 103           HB3      LYS 103 -18.101 -10.065  23.418
  768    HG2  LYS 103           HG2      LYS 103 -15.862 -11.064  23.402
  769    HG3  LYS 103           HG3      LYS 103 -15.386 -10.069  24.797
  770    HD2  LYS 103           HD2      LYS 103 -17.092 -11.133  26.202
  771    HD3  LYS 103           HD3      LYS 103 -17.762 -11.980  24.806
  772    HE2  LYS 103           HE2      LYS 103 -16.501 -13.545  26.107
  773    HE3  LYS 103           HE3      LYS 103 -15.690 -13.296  24.556
  774    HZ1  LYS 103           HZ1      LYS 103 -14.861 -11.877  27.033
  775    HZ2  LYS 103           HZ2      LYS 103 -14.222 -13.312  26.570
  776    HZ3  LYS 103           HZ3      LYS 103 -14.017 -12.018  25.611
  777    H    MET 104           H        MET 104 -18.017  -9.264  20.947
  778    HA   MET 104           HA       MET 104 -20.155  -7.198  20.878
  779    HB2  MET 104           HB2      MET 104 -17.975  -7.543  18.805
  780    HB3  MET 104           HB3      MET 104 -19.599  -7.148  18.259
  781    HG2  MET 104           HG2      MET 104 -19.666  -5.133  19.565
  782    HG3  MET 104           HG3      MET 104 -18.153  -5.514  20.382
  783    HE1  MET 104           HE1      MET 104 -15.897  -4.626  19.650
  784    HE2  MET 104           HE2      MET 104 -15.980  -6.172  18.779
  785    HE3  MET 104           HE3      MET 104 -15.381  -4.716  17.953
  786    H    LYS 105           H        LYS 105 -21.907  -7.745  19.426
  787    HA   LYS 105           HA       LYS 105 -22.139 -10.509  18.438
  788    HB2  LYS 105           HB2      LYS 105 -22.879  -9.824  21.170
  789    HB3  LYS 105           HB3      LYS 105 -24.341 -10.225  20.299
  790    HG2  LYS 105           HG2      LYS 105 -21.864 -11.994  20.279
  791    HG3  LYS 105           HG3      LYS 105 -23.139 -12.111  21.500
  792    HD2  LYS 105           HD2      LYS 105 -24.803 -12.654  19.762
  793    HD3  LYS 105           HD3      LYS 105 -23.579 -12.459  18.502
  794    HE2  LYS 105           HE2      LYS 105 -24.028 -14.825  18.990
  795    HE3  LYS 105           HE3      LYS 105 -22.342 -14.400  19.257
  796    HZ1  LYS 105           HZ1      LYS 105 -23.312 -15.803  21.037
  797    HZ2  LYS 105           HZ2      LYS 105 -22.740 -14.394  21.637
  798    HZ3  LYS 105           HZ3      LYS 105 -24.361 -14.620  21.434
  799    H    TYR 106           H        TYR 106 -23.705  -7.372  19.022
  800    HA   TYR 106           HA       TYR 106 -26.116  -7.901  17.592
  801    HB2  TYR 106           HB2      TYR 106 -25.851  -6.187  19.326
  802    HB3  TYR 106           HB3      TYR 106 -24.725  -5.296  18.302
  803    HD1  TYR 106           HD2      TYR 106 -28.252  -6.600  18.380
  804    HD2  TYR 106           HD1      TYR 106 -25.545  -3.595  16.875
  805    HE1  TYR 106           HE2      TYR 106 -30.170  -5.392  17.360
  806    HE2  TYR 106           HE1      TYR 106 -27.465  -2.380  15.853
  807    HH   TYR 106           HH       TYR 106 -30.837  -3.564  16.140
  808    H    SER 107           H        SER 107 -26.881  -7.159  15.615
  809    HA   SER 107           HA       SER 107 -26.991  -6.420  13.487
  810    HB2  SER 107           HB2      SER 107 -25.503  -4.548  14.417
  811    HB3  SER 107           HB3      SER 107 -24.161  -5.347  13.574
  812    HG   SER 107           HG       SER 107 -25.509  -3.648  12.435
  813    H    ILE 108           H        ILE 108 -25.591  -6.428  11.298
  814    HA   ILE 108           HA       ILE 108 -24.918  -9.266  10.773
  815    HB   ILE 108           HB       ILE 108 -24.706  -8.546   8.410
  816   HG12  ILE 108          HG12      ILE 108 -25.562  -5.777   9.376
  817   HG13  ILE 108          HG13      ILE 108 -23.965  -6.212   8.755
  818   HG21  ILE 108          HG21      ILE 108 -26.849  -9.347   9.428
  819   HG22  ILE 108          HG22      ILE 108 -27.330  -7.654   9.678
  820   HG23  ILE 108          HG23      ILE 108 -27.091  -8.291   8.036
  821   HD11  ILE 108          HD11      ILE 108 -25.021  -6.833   6.568
  822   HD12  ILE 108          HD12      ILE 108 -26.565  -6.203   7.187
  823   HD13  ILE 108          HD13      ILE 108 -25.176  -5.122   7.001
  824    H    VAL 109           H        VAL 109 -22.865  -9.982   9.965
  825    HA   VAL 109           HA       VAL 109 -20.779  -9.027  11.571
  826    HB   VAL 109           HB       VAL 109 -20.471 -10.786   9.119
  827   HG11  VAL 109          HG11      VAL 109 -18.619 -10.380  11.517
  828   HG12  VAL 109          HG12      VAL 109 -18.436 -11.656  10.299
  829   HG13  VAL 109          HG13      VAL 109 -18.259  -9.967   9.827
  830   HG21  VAL 109          HG21      VAL 109 -22.058 -11.773  10.719
  831   HG22  VAL 109          HG22      VAL 109 -20.532 -12.646  10.794
  832   HG23  VAL 109          HG23      VAL 109 -20.932 -11.466  12.062
  833    H    SER 110           H        SER 110 -21.424  -8.163   8.167
  834    HA   SER 110           HA       SER 110 -18.962  -6.740   7.677
  835    HB2  SER 110           HB2      SER 110 -20.320  -5.685   5.841
  836    HB3  SER 110           HB3      SER 110 -20.308  -7.455   5.832
  837    HG   SER 110           HG       SER 110 -22.413  -6.597   5.521
  838    H    ARG 111           H        ARG 111 -22.190  -5.560   8.831
  839    HA   ARG 111           HA       ARG 111 -21.156  -2.887   9.225
  840    HB2  ARG 111           HB2      ARG 111 -23.620  -3.404   8.995
  841    HB3  ARG 111           HB3      ARG 111 -23.567  -4.100  10.613
  842    HG2  ARG 111           HG2      ARG 111 -24.368  -1.824  10.832
  843    HG3  ARG 111           HG3      ARG 111 -22.734  -1.854  11.502
  844    HD2  ARG 111           HD2      ARG 111 -23.002   0.146  10.216
  845    HD3  ARG 111           HD3      ARG 111 -21.841  -0.907   9.408
  846    HE   ARG 111           HE       ARG 111 -24.581  -1.212   8.430
  847   HH11  ARG 111          HH21      ARG 111 -21.651   0.761   8.052
  848   HH12  ARG 111          HH22      ARG 111 -22.104   1.257   6.438
  849   HH21  ARG 111          HH11      ARG 111 -25.079  -0.543   6.341
  850   HH22  ARG 111          HH12      ARG 111 -24.001   0.514   5.481
  851    H    ASN 112           H        ASN 112 -21.407  -5.742  11.345
  852    HA   ASN 112           HA       ASN 112 -20.654  -4.488  13.761
  853    HB2  ASN 112           HB2      ASN 112 -21.554  -6.785  13.561
  854    HB3  ASN 112           HB3      ASN 112 -20.041  -7.314  12.826
  855   HD21  ASN 112          HD22      ASN 112 -18.679  -8.331  14.270
  856   HD22  ASN 112          HD21      ASN 112 -18.579  -7.914  15.973
  857    H    CYS 113           H        CYS 113 -18.457  -5.944  11.254
  858    HA   CYS 113           HA       CYS 113 -16.089  -5.100  12.709
  859    HB2  CYS 113           HB2      CYS 113 -14.854  -6.088  10.957
  860    HB3  CYS 113           HB3      CYS 113 -16.252  -7.117  11.240
  861    HG   CYS 113           HG       CYS 113 -15.785  -7.101   8.679
  862    H    GLU 114           H        GLU 114 -17.885  -3.631   9.936
  863    HA   GLU 114           HA       GLU 114 -16.173  -1.389   9.591
  864    HB2  GLU 114           HB2      GLU 114 -17.960  -1.978   8.047
  865    HB3  GLU 114           HB3      GLU 114 -19.191  -1.544   9.234
  866    HG2  GLU 114           HG2      GLU 114 -17.100   0.468   8.312
  867    HG3  GLU 114           HG3      GLU 114 -18.519   0.129   7.336
  868    H    HIS 115           H        HIS 115 -19.120  -1.600  11.681
  869    HA   HIS 115           HA       HIS 115 -18.940   0.898  12.886
  870    HB2  HIS 115           HB2      HIS 115 -20.869  -0.617  13.010
  871    HB3  HIS 115           HB3      HIS 115 -19.962  -1.707  14.067
  872    HD1  HIS 115           HD1      HIS 115 -21.376  -1.390  16.278
  873    HD2  HIS 115           HD2      HIS 115 -20.186   2.198  14.421
  874    HE1  HIS 115           HE1      HIS 115 -22.018   0.494  17.869
  875    H    PHE 116           H        PHE 116 -17.356  -2.181  13.855
  876    HA   PHE 116           HA       PHE 116 -15.950  -1.277  16.156
  877    HB2  PHE 116           HB2      PHE 116 -15.925  -3.570  15.869
  878    HB3  PHE 116           HB3      PHE 116 -15.646  -3.485  14.157
  879    HD1  PHE 116           HD1      PHE 116 -13.911  -2.762  17.411
  880    HD2  PHE 116           HD2      PHE 116 -13.484  -3.819  13.250
  881    HE1  PHE 116           HE1      PHE 116 -11.480  -3.095  17.740
  882    HE2  PHE 116           HE2      PHE 116 -11.048  -4.146  13.583
  883    HZ   PHE 116           HZ       PHE 116 -10.048  -3.814  15.839
  884    H    VAL 117           H        VAL 117 -14.693  -1.371  12.699
  885    HA   VAL 117           HA       VAL 117 -12.331   0.032  13.572
  886    HB   VAL 117           HB       VAL 117 -11.845   0.614  11.230
  887   HG11  VAL 117          HG11      VAL 117 -12.365  -2.325  11.769
  888   HG12  VAL 117          HG12      VAL 117 -11.184  -1.612  10.644
  889   HG13  VAL 117          HG13      VAL 117 -10.979  -1.387  12.387
  890   HG21  VAL 117          HG21      VAL 117 -14.174  -1.132  10.440
  891   HG22  VAL 117          HG22      VAL 117 -14.141   0.641  10.286
  892   HG23  VAL 117          HG23      VAL 117 -12.991  -0.349   9.383
  893    H    THR 118           H        THR 118 -15.434   1.373  12.341
  894    HA   THR 118           HA       THR 118 -14.417   4.067  12.296
  895    HB   THR 118           HB       THR 118 -17.286   3.262  12.572
  896    HG1  THR 118           HG1      THR 118 -17.138   2.833  10.460
  897   HG21  THR 118          HG21      THR 118 -15.929   5.784  11.520
  898   HG22  THR 118          HG22      THR 118 -17.656   5.402  11.353
  899   HG23  THR 118          HG23      THR 118 -16.963   5.650  12.960
  900    H    GLN 119           H        GLN 119 -15.734   2.121  14.989
  901    HA   GLN 119           HA       GLN 119 -15.621   4.327  16.875
  902    HB2  GLN 119           HB2      GLN 119 -15.586   1.318  17.169
  903    HB3  GLN 119           HB3      GLN 119 -15.376   2.383  18.555
  904    HG2  GLN 119           HG2      GLN 119 -17.526   3.398  18.286
  905    HG3  GLN 119           HG3      GLN 119 -17.751   2.682  16.687
  906   HE21  GLN 119          HE22      GLN 119 -17.842   0.310  16.563
  907   HE22  GLN 119          HE21      GLN 119 -18.559  -0.590  17.915
  908    H    LEU 120           H        LEU 120 -13.071   2.232  15.508
  909    HA   LEU 120           HA       LEU 120 -11.045   3.250  17.354
  910    HB2  LEU 120           HB2      LEU 120 -10.560   2.042  14.600
  911    HB3  LEU 120           HB3      LEU 120  -9.411   2.283  15.900
  912    HG   LEU 120           HG       LEU 120 -11.695   0.281  15.796
  913   HD11  LEU 120          HD11      LEU 120  -9.624  -0.335  14.640
  914   HD12  LEU 120          HD12      LEU 120  -8.687  -0.009  16.119
  915   HD13  LEU 120          HD13      LEU 120  -9.846  -1.333  16.087
  916   HD21  LEU 120          HD21      LEU 120 -10.857  -0.458  18.087
  917   HD22  LEU 120          HD22      LEU 120 -10.033   1.122  18.179
  918   HD23  LEU 120          HD23      LEU 120 -11.797   1.033  18.051
  919    H    ARG 121           H        ARG 121 -11.767   4.042  13.914
  920    HA   ARG 121           HA       ARG 121 -10.082   6.402  14.011
  921    HB2  ARG 121           HB2      ARG 121 -10.664   6.802  11.716
  922    HB3  ARG 121           HB3      ARG 121 -10.238   5.117  11.956
  923    HG2  ARG 121           HG2      ARG 121 -12.459   4.396  11.801
  924    HG3  ARG 121           HG3      ARG 121 -13.151   6.022  11.950
  925    HD2  ARG 121           HD2      ARG 121 -12.548   6.569   9.729
  926    HD3  ARG 121           HD3      ARG 121 -11.388   5.223   9.646
  927    HE   ARG 121           HE       ARG 121 -14.291   4.639  10.026
  928   HH11  ARG 121          HH11      ARG 121 -11.598   4.551   7.715
  929   HH12  ARG 121          HH12      ARG 121 -12.190   3.080   6.979
  930   HH21  ARG 121          HH21      ARG 121 -14.976   2.789   9.089
  931   HH22  ARG 121          HH22      ARG 121 -14.151   2.135   7.694
  932    H    TYR 122           H        TYR 122 -12.929   6.121  15.487
  933    HA   TYR 122           HA       TYR 122 -14.725   7.923  14.625
  934    HB2  TYR 122           HB2      TYR 122 -14.625   6.256  16.658
  935    HB3  TYR 122           HB3      TYR 122 -14.148   7.637  17.593
  936    HD1  TYR 122           HD2      TYR 122 -16.871   5.989  15.708
  937    HD2  TYR 122           HD1      TYR 122 -15.787   9.449  18.052
  938    HE1  TYR 122           HE2      TYR 122 -19.272   6.549  15.983
  939    HE2  TYR 122           HE1      TYR 122 -18.193  10.013  18.328
  940    HH   TYR 122           HH       TYR 122 -20.796   8.004  16.894
  941    H    GLY 123           H        GLY 123 -11.745   8.618  16.197
  942    HA2  GLY 123           HA2      GLY 123 -11.794  10.679  17.849
  943    HA3  GLY 123           HA3      GLY 123 -10.511  10.514  16.653
  944    H    LYS 124           H        LYS 124 -12.025  11.309  14.324
  945    HA   LYS 124           HA       LYS 124 -12.958  14.066  14.945
  946    HB2  LYS 124           HB2      LYS 124 -10.498  14.011  14.542
  947    HB3  LYS 124           HB3      LYS 124 -10.757  13.302  12.972
  948    HG2  LYS 124           HG2      LYS 124 -10.192  15.718  12.944
  949    HG3  LYS 124           HG3      LYS 124 -11.724  15.408  12.152
  950    HD2  LYS 124           HD2      LYS 124 -11.824  17.439  13.491
  951    HD3  LYS 124           HD3      LYS 124 -12.946  16.242  14.141
  952    HE2  LYS 124           HE2      LYS 124 -11.297  15.659  15.922
  953    HE3  LYS 124           HE3      LYS 124 -10.141  16.802  15.230
  954    HZ1  LYS 124           HZ1      LYS 124 -11.340  17.783  17.089
  955    HZ2  LYS 124           HZ2      LYS 124 -11.712  18.595  15.722
  956    HZ3  LYS 124           HZ3      LYS 124 -12.788  17.541  16.367
  957    H    SER 125           H        SER 125 -14.147  11.431  13.986
  958    HA   SER 125           HA       SER 125 -15.168  11.981  11.273
  959    HB2  SER 125           HB2      SER 125 -15.691   9.722  13.229
  960    HB3  SER 125           HB3      SER 125 -16.305   9.809  11.568
  961    HG   SER 125           HG       SER 125 -13.553  10.226  12.006
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   9.337  -8.064  -9.594
    2    H2   MET   1           H2       MET   1   8.450  -9.429  -9.766
    3    H3   MET   1           H3       MET   1   9.586  -9.036 -10.877
    4    HA   MET   1           HA       MET   1   8.395  -7.093 -11.561
    5    HB2  MET   1           HB2      MET   1   7.987  -9.196 -12.774
    6    HB3  MET   1           HB3      MET   1   6.660  -9.595 -11.696
    7    HG2  MET   1           HG2      MET   1   5.824  -8.676 -13.792
    8    HG3  MET   1           HG3      MET   1   5.412  -7.617 -12.459
    9    HE1  MET   1           HE1      MET   1   7.365  -8.091 -15.780
   10    HE2  MET   1           HE2      MET   1   8.446  -6.684 -15.843
   11    HE3  MET   1           HE3      MET   1   8.767  -7.992 -14.685
   12    H    ALA   2           H        ALA   2   5.661  -8.841  -9.950
   13    HA   ALA   2           HA       ALA   2   4.553  -6.276  -9.099
   14    HB1  ALA   2           HB1      ALA   2   3.615  -9.146  -8.656
   15    HB2  ALA   2           HB2      ALA   2   2.660  -7.675  -8.387
   16    HB3  ALA   2           HB3      ALA   2   3.174  -8.103 -10.027
   17    H    SER   3           H        SER   3   3.860  -5.796  -6.938
   18    HA   SER   3           HA       SER   3   5.797  -6.627  -4.836
   19    HB2  SER   3           HB2      SER   3   3.821  -4.318  -4.946
   20    HB3  SER   3           HB3      SER   3   4.932  -4.653  -3.611
   21    HG   SER   3           HG       SER   3   5.770  -3.103  -5.095
   22    HA   PRO   4           HA       PRO   4   2.584  -8.873  -2.642
   23    HB2  PRO   4           HB2      PRO   4   3.605  -9.028  -0.122
   24    HB3  PRO   4           HB3      PRO   4   4.380  -9.846  -1.514
   25    HG2  PRO   4           HG2      PRO   4   5.089  -7.143  -0.313
   26    HG3  PRO   4           HG3      PRO   4   6.187  -8.511  -0.671
   27    HD2  PRO   4           HD2      PRO   4   5.846  -6.419  -2.395
   28    HD3  PRO   4           HD3      PRO   4   6.102  -8.091  -2.988
   29    H    HIS   5           H        HIS   5   0.996  -8.682  -0.921
   30    HA   HIS   5           HA       HIS   5   0.044  -5.925  -0.531
   31    HB2  HIS   5           HB2      HIS   5  -1.169  -8.614   0.248
   32    HB3  HIS   5           HB3      HIS   5  -1.991  -7.061   0.291
   33    HD1  HIS   5           HD1      HIS   5  -1.764  -9.920  -1.945
   34    HD2  HIS   5           HD2      HIS   5  -1.895  -5.728  -2.337
   35    HE1  HIS   5           HE1      HIS   5  -2.516  -9.447  -4.329
   36    H    GLN   6           H        GLN   6   2.440  -7.099   1.081
   37    HA   GLN   6           HA       GLN   6   1.389  -6.660   3.854
   38    HB2  GLN   6           HB2      GLN   6   2.041  -8.986   3.346
   39    HB3  GLN   6           HB3      GLN   6   3.666  -8.444   2.917
   40    HG2  GLN   6           HG2      GLN   6   3.910  -7.520   5.273
   41    HG3  GLN   6           HG3      GLN   6   2.330  -8.198   5.648
   42   HE21  GLN   6          HE22      GLN   6   2.128 -10.653   5.246
   43   HE22  GLN   6          HE21      GLN   6   3.570 -11.630   5.573
   44    H    GLU   7           H        GLU   7   1.833  -4.519   4.120
   45    HA   GLU   7           HA       GLU   7   4.415  -3.922   5.163
   46    HB2  GLU   7           HB2      GLU   7   5.001  -3.417   2.808
   47    HB3  GLU   7           HB3      GLU   7   3.660  -2.269   2.729
   48    HG2  GLU   7           HG2      GLU   7   4.722  -0.951   4.578
   49    HG3  GLU   7           HG3      GLU   7   6.040  -2.128   4.642
   50    HA   PRO   8           HA       PRO   8   0.878  -1.960   7.273
   51    HB2  PRO   8           HB2      PRO   8   3.002  -1.464   9.334
   52    HB3  PRO   8           HB3      PRO   8   1.320  -2.049   9.542
   53    HG2  PRO   8           HG2      PRO   8   3.411  -3.771   9.651
   54    HG3  PRO   8           HG3      PRO   8   1.911  -4.226   8.772
   55    HD2  PRO   8           HD2      PRO   8   4.511  -3.151   7.640
   56    HD3  PRO   8           HD3      PRO   8   3.501  -4.511   7.062
   57    H    LYS   9           H        LYS   9   0.168   0.039   6.993
   58    HA   LYS   9           HA       LYS   9   2.041   2.383   6.957
   59    HB2  LYS   9           HB2      LYS   9  -0.605   1.816   5.579
   60    HB3  LYS   9           HB3      LYS   9  -0.175   3.470   6.000
   61    HG2  LYS   9           HG2      LYS   9   0.379   3.030   3.724
   62    HG3  LYS   9           HG3      LYS   9   1.859   3.345   4.642
   63    HD2  LYS   9           HD2      LYS   9   2.507   1.042   4.606
   64    HD3  LYS   9           HD3      LYS   9   0.887   0.513   4.115
   65    HE2  LYS   9           HE2      LYS   9   1.087   1.725   1.967
   66    HE3  LYS   9           HE3      LYS   9   2.695   2.313   2.407
   67    HZ1  LYS   9           HZ1      LYS   9   2.080  -0.580   2.185
   68    HZ2  LYS   9           HZ2      LYS   9   2.625   0.310   0.921
   69    HZ3  LYS   9           HZ3      LYS   9   3.573   0.140   2.232
   70    HA   PRO  10           HA       PRO  10   0.033   3.187  10.799
   71    HB2  PRO  10           HB2      PRO  10   0.696   5.775  11.372
   72    HB3  PRO  10           HB3      PRO  10   1.888   4.425  11.398
   73    HG2  PRO  10           HG2      PRO  10   1.317   6.366   9.129
   74    HG3  PRO  10           HG3      PRO  10   2.910   5.918   9.821
   75    HD2  PRO  10           HD2      PRO  10   1.916   4.734   7.565
   76    HD3  PRO  10           HD3      PRO  10   2.876   3.810   8.766
   77    H    GLY  11           H        GLY  11  -1.969   3.611  11.407
   78    HA2  GLY  11           HA2      GLY  11  -4.173   4.337  11.310
   79    HA3  GLY  11           HA3      GLY  11  -3.742   5.519  10.059
   80    H    ASP  12           H        ASP  12  -2.758   2.318   9.251
   81    HA   ASP  12           HA       ASP  12  -5.117   2.040   7.441
   82    HB2  ASP  12           HB2      ASP  12  -2.508   2.281   6.736
   83    HB3  ASP  12           HB3      ASP  12  -2.656   0.519   6.800
   84    H    LEU  13           H        LEU  13  -5.419  -0.253   6.679
   85    HA   LEU  13           HA       LEU  13  -6.186  -1.760   9.128
   86    HB2  LEU  13           HB2      LEU  13  -7.339  -1.790   6.320
   87    HB3  LEU  13           HB3      LEU  13  -8.028  -2.592   7.737
   88    HG   LEU  13           HG       LEU  13  -7.701   0.388   7.293
   89   HD11  LEU  13          HD11      LEU  13  -9.479  -0.569   5.912
   90   HD12  LEU  13          HD12      LEU  13 -10.162  -1.420   7.306
   91   HD13  LEU  13          HD13      LEU  13 -10.215   0.359   7.228
   92   HD21  LEU  13          HD21      LEU  13  -9.084   0.575   9.419
   93   HD22  LEU  13          HD22      LEU  13  -8.914  -1.186   9.624
   94   HD23  LEU  13          HD23      LEU  13  -7.492  -0.152   9.691
   95    H    ILE  14           H        ILE  14  -5.113  -3.389   9.621
   96    HA   ILE  14           HA       ILE  14  -3.718  -5.071   7.588
   97    HB   ILE  14           HB       ILE  14  -3.402  -5.258  10.599
   98   HG12  ILE  14          HG12      ILE  14  -1.752  -3.497   8.730
   99   HG13  ILE  14          HG13      ILE  14  -2.852  -2.924   9.986
  100   HG21  ILE  14          HG21      ILE  14  -1.487  -6.004   8.343
  101   HG22  ILE  14          HG22      ILE  14  -1.327  -6.413  10.067
  102   HG23  ILE  14          HG23      ILE  14  -2.599  -7.154   9.103
  103   HD11  ILE  14          HD11      ILE  14  -1.463  -4.012  11.721
  104   HD12  ILE  14          HD12      ILE  14  -0.280  -4.461  10.459
  105   HD13  ILE  14          HD13      ILE  14  -0.612  -2.767  10.797
  106    H    GLU  15           H        GLU  15  -4.402  -7.070   7.122
  107    HA   GLU  15           HA       GLU  15  -6.564  -8.410   8.705
  108    HB2  GLU  15           HB2      GLU  15  -5.439  -9.005   5.924
  109    HB3  GLU  15           HB3      GLU  15  -6.675  -9.952   6.767
  110    HG2  GLU  15           HG2      GLU  15  -8.157  -7.950   6.783
  111    HG3  GLU  15           HG3      GLU  15  -6.936  -7.075   5.838
  112    H    ILE  16           H        ILE  16  -5.777  -9.850  10.160
  113    HA   ILE  16           HA       ILE  16  -3.079 -11.121   9.692
  114    HB   ILE  16           HB       ILE  16  -4.431 -10.334  12.317
  115   HG12  ILE  16          HG12      ILE  16  -1.968  -9.102  10.983
  116   HG13  ILE  16          HG13      ILE  16  -3.578  -8.378  10.967
  117   HG21  ILE  16          HG21      ILE  16  -2.157 -10.993  13.278
  118   HG22  ILE  16          HG22      ILE  16  -3.091 -12.331  12.642
  119   HG23  ILE  16          HG23      ILE  16  -1.752 -11.661  11.689
  120   HD11  ILE  16          HD11      ILE  16  -2.343  -7.277  12.662
  121   HD12  ILE  16          HD12      ILE  16  -3.548  -8.298  13.465
  122   HD13  ILE  16          HD13      ILE  16  -1.837  -8.798  13.409
  123    H    PHE  17           H        PHE  17  -3.107 -13.273   9.428
  124    HA   PHE  17           HA       PHE  17  -5.532 -14.822   9.871
  125    HB2  PHE  17           HB2      PHE  17  -4.013 -15.036   7.900
  126    HB3  PHE  17           HB3      PHE  17  -2.765 -15.679   8.955
  127    HD1  PHE  17           HD1      PHE  17  -6.349 -16.264   7.944
  128    HD2  PHE  17           HD2      PHE  17  -2.635 -18.043   9.216
  129    HE1  PHE  17           HE1      PHE  17  -7.290 -18.521   7.528
  130    HE2  PHE  17           HE2      PHE  17  -3.584 -20.302   8.816
  131    HZ   PHE  17           HZ       PHE  17  -5.903 -20.544   7.952
  132    H    ARG  18           H        ARG  18  -5.487 -14.197  12.211
  133    HA   ARG  18           HA       ARG  18  -3.517 -15.071  14.030
  134    HB2  ARG  18           HB2      ARG  18  -5.100 -13.269  14.450
  135    HB3  ARG  18           HB3      ARG  18  -6.449 -14.400  14.419
  136    HG2  ARG  18           HG2      ARG  18  -5.839 -13.686  16.707
  137    HG3  ARG  18           HG3      ARG  18  -5.735 -15.435  16.500
  138    HD2  ARG  18           HD2      ARG  18  -3.302 -15.320  16.320
  139    HD3  ARG  18           HD3      ARG  18  -3.382 -13.538  16.333
  140    HE   ARG  18           HE       ARG  18  -4.588 -14.749  18.682
  141   HH11  ARG  18          HH11      ARG  18  -1.501 -13.673  17.344
  142   HH12  ARG  18          HH12      ARG  18  -0.752 -13.499  18.900
  143   HH21  ARG  18          HH21      ARG  18  -3.568 -14.533  20.691
  144   HH22  ARG  18          HH22      ARG  18  -1.915 -14.015  20.778
  145    H    LEU  19           H        LEU  19  -6.596 -16.685  13.218
  146    HA   LEU  19           HA       LEU  19  -5.769 -19.090  14.762
  147    HB2  LEU  19           HB2      LEU  19  -7.584 -16.886  15.521
  148    HB3  LEU  19           HB3      LEU  19  -8.376 -18.437  15.685
  149    HG   LEU  19           HG       LEU  19  -5.690 -17.766  16.948
  150   HD11  LEU  19          HD11      LEU  19  -6.960 -17.568  19.057
  151   HD12  LEU  19          HD12      LEU  19  -7.507 -16.374  17.871
  152   HD13  LEU  19          HD13      LEU  19  -8.484 -17.829  18.177
  153   HD21  LEU  19          HD21      LEU  19  -6.001 -20.206  16.634
  154   HD22  LEU  19          HD22      LEU  19  -6.138 -19.781  18.343
  155   HD23  LEU  19          HD23      LEU  19  -7.605 -20.113  17.392
  156    H    GLY  20           H        GLY  20  -5.961 -19.059  11.995
  157    HA2  GLY  20           HA2      GLY  20  -6.845 -20.431  10.315
  158    HA3  GLY  20           HA3      GLY  20  -8.122 -20.989  11.422
  159    H    TYR  21           H        TYR  21  -7.695 -17.603  11.171
  160    HA   TYR  21           HA       TYR  21  -9.709 -16.981   9.164
  161    HB2  TYR  21           HB2      TYR  21 -11.085 -17.834  11.040
  162    HB3  TYR  21           HB3      TYR  21 -10.277 -16.749  12.154
  163    HD1  TYR  21           HD1      TYR  21 -12.251 -16.649   8.938
  164    HD2  TYR  21           HD2      TYR  21 -11.375 -14.754  12.714
  165    HE1  TYR  21           HE1      TYR  21 -14.056 -14.986   8.522
  166    HE2  TYR  21           HE2      TYR  21 -13.159 -13.078  12.290
  167    HH   TYR  21           HH       TYR  21 -15.221 -13.192   9.357
  168    H    GLU  22           H        GLU  22  -9.749 -14.677   8.746
  169    HA   GLU  22           HA       GLU  22  -7.304 -13.328   9.704
  170    HB2  GLU  22           HB2      GLU  22  -9.156 -12.671   7.401
  171    HB3  GLU  22           HB3      GLU  22  -7.785 -11.673   7.923
  172    HG2  GLU  22           HG2      GLU  22  -6.272 -13.656   7.637
  173    HG3  GLU  22           HG3      GLU  22  -7.638 -14.564   6.978
  174    H    HIS  23           H        HIS  23  -7.332 -12.025  11.333
  175    HA   HIS  23           HA       HIS  23  -9.814 -10.648  12.265
  176    HB2  HIS  23           HB2      HIS  23  -7.030 -10.963  13.486
  177    HB3  HIS  23           HB3      HIS  23  -8.374 -10.112  14.233
  178    HD1  HIS  23           HD1      HIS  23  -7.984 -11.806  16.312
  179    HD2  HIS  23           HD2      HIS  23  -9.330 -13.525  12.723
  180    HE1  HIS  23           HE1      HIS  23  -8.772 -14.166  16.887
  181    H    TRP  24           H        TRP  24  -9.931  -8.355  12.366
  182    HA   TRP  24           HA       TRP  24  -8.027  -6.852  10.709
  183    HB2  TRP  24           HB2      TRP  24 -10.583  -6.118  12.154
  184    HB3  TRP  24           HB3      TRP  24  -9.537  -4.925  11.411
  185    HD1  TRP  24           HD1      TRP  24 -12.482  -6.686  10.685
  186    HE1  TRP  24           HE1      TRP  24 -13.052  -6.741   8.161
  187    HE3  TRP  24           HE3      TRP  24  -7.993  -5.132   8.844
  188    HZ2  TRP  24           HZ2      TRP  24 -11.739  -6.059   5.692
  189    HZ3  TRP  24           HZ3      TRP  24  -7.700  -4.749   6.415
  190    HH2  TRP  24           HH2      TRP  24  -9.554  -5.218   4.832
  191    H    ALA  25           H        ALA  25  -6.596  -5.360  11.312
  192    HA   ALA  25           HA       ALA  25  -6.660  -4.256  14.053
  193    HB1  ALA  25           HB1      ALA  25  -4.141  -5.386  12.739
  194    HB2  ALA  25           HB2      ALA  25  -4.236  -4.611  14.337
  195    HB3  ALA  25           HB3      ALA  25  -5.036  -6.170  14.049
  196    H    LEU  26           H        LEU  26  -5.710  -2.258  14.339
  197    HA   LEU  26           HA       LEU  26  -5.281  -0.568  11.905
  198    HB2  LEU  26           HB2      LEU  26  -7.272  -0.234  13.544
  199    HB3  LEU  26           HB3      LEU  26  -6.096   0.255  14.730
  200    HG   LEU  26           HG       LEU  26  -7.112   2.178  13.848
  201   HD11  LEU  26          HD11      LEU  26  -4.451   2.183  12.408
  202   HD12  LEU  26          HD12      LEU  26  -5.347   3.550  13.093
  203   HD13  LEU  26          HD13      LEU  26  -4.624   2.347  14.170
  204   HD21  LEU  26          HD21      LEU  26  -7.247   2.785  11.500
  205   HD22  LEU  26          HD22      LEU  26  -6.323   1.346  11.031
  206   HD23  LEU  26          HD23      LEU  26  -7.953   1.174  11.719
  207    H    TYR  27           H        TYR  27  -3.148  -0.046  11.618
  208    HA   TYR  27           HA       TYR  27  -1.144  -0.436  13.688
  209    HB2  TYR  27           HB2      TYR  27  -1.030  -0.632  11.087
  210    HB3  TYR  27           HB3      TYR  27  -0.761   1.072  11.104
  211    HD1  TYR  27           HD1      TYR  27   0.529  -2.047  12.791
  212    HD2  TYR  27           HD2      TYR  27   1.523   1.744  11.004
  213    HE1  TYR  27           HE1      TYR  27   2.941  -2.629  12.874
  214    HE2  TYR  27           HE2      TYR  27   3.919   1.168  11.066
  215    HH   TYR  27           HH       TYR  27   5.476  -0.457  11.565
  216    H    ILE  28           H        ILE  28  -1.566   0.882  15.472
  217    HA   ILE  28           HA       ILE  28  -2.010   3.788  15.137
  218    HB   ILE  28           HB       ILE  28  -2.036   3.838  17.633
  219   HG12  ILE  28          HG12      ILE  28  -2.119   0.806  17.605
  220   HG13  ILE  28          HG13      ILE  28  -0.594   1.669  17.834
  221   HG21  ILE  28          HG21      ILE  28  -4.061   3.617  16.195
  222   HG22  ILE  28          HG22      ILE  28  -3.976   1.854  16.387
  223   HG23  ILE  28          HG23      ILE  28  -4.249   2.913  17.794
  224   HD11  ILE  28          HD11      ILE  28  -3.019   2.101  19.610
  225   HD12  ILE  28          HD12      ILE  28  -1.659   1.013  19.974
  226   HD13  ILE  28          HD13      ILE  28  -1.392   2.763  19.827
  227    H    GLY  29           H        GLY  29   0.810   1.866  15.615
  228    HA2  GLY  29           HA2      GLY  29   2.505   4.256  15.581
  229    HA3  GLY  29           HA3      GLY  29   2.618   3.305  17.061
  230    H    ASP  30           H        ASP  30   4.917   3.366  15.870
  231    HA   ASP  30           HA       ASP  30   5.260   1.519  13.710
  232    HB2  ASP  30           HB2      ASP  30   6.836   3.326  14.141
  233    HB3  ASP  30           HB3      ASP  30   7.286   2.622  15.699
  234    H    GLY  31           H        GLY  31   4.445  -0.444  14.074
  235    HA2  GLY  31           HA2      GLY  31   4.543  -2.694  14.629
  236    HA3  GLY  31           HA3      GLY  31   5.710  -2.344  15.923
  237    H    TYR  32           H        TYR  32   3.141  -0.214  16.324
  238    HA   TYR  32           HA       TYR  32   1.871  -1.987  18.382
  239    HB2  TYR  32           HB2      TYR  32   2.044   1.025  18.123
  240    HB3  TYR  32           HB3      TYR  32   0.950   0.214  19.237
  241    HD1  TYR  32           HD1      TYR  32   1.838  -1.344  21.019
  242    HD2  TYR  32           HD2      TYR  32   4.370   1.295  18.718
  243    HE1  TYR  32           HE1      TYR  32   3.598  -1.511  22.764
  244    HE2  TYR  32           HE2      TYR  32   6.131   1.137  20.473
  245    HH   TYR  32           HH       TYR  32   6.727   0.218  22.504
  246    H    VAL  33           H        VAL  33  -0.305  -2.434  18.387
  247    HA   VAL  33           HA       VAL  33  -1.974  -1.313  16.194
  248    HB   VAL  33           HB       VAL  33  -2.870  -3.606  15.751
  249   HG11  VAL  33          HG11      VAL  33  -1.338  -2.572  14.188
  250   HG12  VAL  33          HG12      VAL  33   0.063  -3.205  15.087
  251   HG13  VAL  33          HG13      VAL  33  -1.063  -4.314  14.268
  252   HG21  VAL  33          HG21      VAL  33  -1.575  -5.598  16.281
  253   HG22  VAL  33          HG22      VAL  33  -0.405  -4.645  17.199
  254   HG23  VAL  33          HG23      VAL  33  -2.072  -4.811  17.784
  255    H    ILE  34           H        ILE  34  -4.132  -1.387  16.382
  256    HA   ILE  34           HA       ILE  34  -5.346  -2.259  19.007
  257    HB   ILE  34           HB       ILE  34  -6.302  -0.161  17.012
  258   HG12  ILE  34          HG12      ILE  34  -4.477   0.662  18.390
  259   HG13  ILE  34          HG13      ILE  34  -5.988   1.478  18.770
  260   HG21  ILE  34          HG21      ILE  34  -8.116   0.259  18.723
  261   HG22  ILE  34          HG22      ILE  34  -8.252  -1.286  17.876
  262   HG23  ILE  34          HG23      ILE  34  -7.622  -1.241  19.537
  263   HD11  ILE  34          HD11      ILE  34  -4.578  -0.647  20.423
  264   HD12  ILE  34          HD12      ILE  34  -4.760   1.074  20.809
  265   HD13  ILE  34          HD13      ILE  34  -6.174   0.026  20.823
  266    H    HIS  35           H        HIS  35  -6.762  -4.003  18.792
  267    HA   HIS  35           HA       HIS  35  -7.612  -4.794  16.046
  268    HB2  HIS  35           HB2      HIS  35  -6.556  -6.980  16.278
  269    HB3  HIS  35           HB3      HIS  35  -5.342  -5.714  16.407
  270    HD1  HIS  35           HD1      HIS  35  -6.630  -8.676  18.306
  271    HD2  HIS  35           HD2      HIS  35  -4.418  -5.165  19.008
  272    HE1  HIS  35           HE1      HIS  35  -5.461  -8.995  20.544
  273    H    LEU  36           H        LEU  36  -9.315  -6.297  15.949
  274    HA   LEU  36           HA       LEU  36 -10.961  -6.407  18.412
  275    HB2  LEU  36           HB2      LEU  36 -11.991  -5.569  16.366
  276    HB3  LEU  36           HB3      LEU  36 -11.541  -7.031  15.486
  277    HG   LEU  36           HG       LEU  36 -13.090  -8.359  16.915
  278   HD11  LEU  36          HD11      LEU  36 -14.761  -6.946  18.318
  279   HD12  LEU  36          HD12      LEU  36 -13.162  -7.250  19.004
  280   HD13  LEU  36          HD13      LEU  36 -13.526  -5.677  18.273
  281   HD21  LEU  36          HD21      LEU  36 -14.421  -5.901  15.722
  282   HD22  LEU  36          HD22      LEU  36 -13.860  -7.311  14.796
  283   HD23  LEU  36          HD23      LEU  36 -15.159  -7.495  15.982
  284    H    ALA  37           H        ALA  37 -10.958  -8.121  19.660
  285    HA   ALA  37           HA       ALA  37 -10.024 -10.786  18.759
  286    HB1  ALA  37           HB1      ALA  37  -9.270  -9.895  20.906
  287    HB2  ALA  37           HB2      ALA  37 -10.944  -9.708  21.458
  288    HB3  ALA  37           HB3      ALA  37 -10.288 -11.332  21.148
  289    HA   PRO  38           HA       PRO  38 -14.345 -11.119  17.435
  290    HB2  PRO  38           HB2      PRO  38 -13.610 -13.986  16.870
  291    HB3  PRO  38           HB3      PRO  38 -14.427 -12.807  15.796
  292    HG2  PRO  38           HG2      PRO  38 -11.835 -13.378  15.412
  293    HG3  PRO  38           HG3      PRO  38 -12.391 -11.675  15.334
  294    HD2  PRO  38           HD2      PRO  38 -11.079 -13.113  17.660
  295    HD3  PRO  38           HD3      PRO  38 -10.703 -11.515  16.949
  296    HA   PRO  39           HA       PRO  39 -16.533 -13.221  20.713
  297    HB2  PRO  39           HB2      PRO  39 -18.965 -13.844  19.656
  298    HB3  PRO  39           HB3      PRO  39 -18.426 -12.150  19.884
  299    HG2  PRO  39           HG2      PRO  39 -18.405 -13.796  17.351
  300    HG3  PRO  39           HG3      PRO  39 -18.886 -12.086  17.552
  301    HD2  PRO  39           HD2      PRO  39 -16.411 -12.975  16.673
  302    HD3  PRO  39           HD3      PRO  39 -16.681 -11.379  17.411
  303    H    SER  40           H        SER  40 -17.338 -15.293  21.489
  304    HA   SER  40           HA       SER  40 -15.922 -17.539  20.294
  305    HB2  SER  40           HB2      SER  40 -17.764 -17.471  22.704
  306    HB3  SER  40           HB3      SER  40 -16.619 -18.751  22.295
  307    HG   SER  40           HG       SER  40 -14.916 -17.356  22.686
  308    H    GLU  41           H        GLU  41 -18.688 -16.336  19.202
  309    HA   GLU  41           HA       GLU  41 -19.875 -18.976  18.459
  310    HB2  GLU  41           HB2      GLU  41 -21.436 -16.423  19.015
  311    HB3  GLU  41           HB3      GLU  41 -22.093 -17.965  18.461
  312    HG2  GLU  41           HG2      GLU  41 -21.425 -19.026  20.597
  313    HG3  GLU  41           HG3      GLU  41 -20.754 -17.487  21.158
  314    H    TYR  42           H        TYR  42 -20.797 -19.054  16.404
  315    HA   TYR  42           HA       TYR  42 -20.785 -16.848  14.522
  316    HB2  TYR  42           HB2      TYR  42 -19.127 -17.868  12.969
  317    HB3  TYR  42           HB3      TYR  42 -18.414 -17.331  14.463
  318    HD1  TYR  42           HD1      TYR  42 -19.274 -20.271  12.395
  319    HD2  TYR  42           HD2      TYR  42 -17.464 -18.917  16.073
  320    HE1  TYR  42           HE1      TYR  42 -18.219 -22.500  12.693
  321    HE2  TYR  42           HE2      TYR  42 -16.411 -21.143  16.379
  322    HH   TYR  42           HH       TYR  42 -16.139 -23.260  15.518
  323    HA   PRO  43           HA       PRO  43 -23.970 -19.369  12.783
  324    HB2  PRO  43           HB2      PRO  43 -23.763 -19.057  10.039
  325    HB3  PRO  43           HB3      PRO  43 -24.445 -17.844  11.162
  326    HG2  PRO  43           HG2      PRO  43 -21.630 -17.980  10.047
  327    HG3  PRO  43           HG3      PRO  43 -22.717 -16.554  10.153
  328    HD2  PRO  43           HD2      PRO  43 -20.786 -16.962  11.984
  329    HD3  PRO  43           HD3      PRO  43 -22.397 -16.374  12.495
  330    H    GLY  44           H        GLY  44 -23.980 -21.509  12.854
  331    HA2  GLY  44           HA2      GLY  44 -23.576 -23.703  12.249
  332    HA3  GLY  44           HA3      GLY  44 -22.270 -23.191  11.143
  333    H    ALA  45           H        ALA  45 -21.989 -21.950  14.330
  334    HA   ALA  45           HA       ALA  45 -19.623 -23.456  14.960
  335    HB1  ALA  45           HB1      ALA  45 -19.768 -22.310  17.144
  336    HB2  ALA  45           HB2      ALA  45 -20.065 -21.183  15.817
  337    HB3  ALA  45           HB3      ALA  45 -21.431 -21.792  16.776
  338    H    GLY  46           H        GLY  46 -19.215 -24.862  16.711
  339    HA2  GLY  46           HA2      GLY  46 -19.745 -26.424  18.406
  340    HA3  GLY  46           HA3      GLY  46 -21.446 -26.440  17.895
  341    H    SER  47           H        SER  47 -18.715 -28.276  18.004
  342    HA   SER  47           HA       SER  47 -18.809 -29.501  15.360
  343    HB2  SER  47           HB2      SER  47 -17.002 -30.918  16.317
  344    HB3  SER  47           HB3      SER  47 -16.702 -29.178  16.447
  345    HG   SER  47           HG       SER  47 -16.217 -30.318  18.395
  346    H    SER  48           H        SER  48 -20.281 -30.332  18.475
  347    HA   SER  48           HA       SER  48 -20.642 -33.146  17.848
  348    HB2  SER  48           HB2      SER  48 -21.973 -33.160  19.918
  349    HB3  SER  48           HB3      SER  48 -20.383 -32.418  20.129
  350    HG   SER  48           HG       SER  48 -22.101 -31.254  21.129
  351    H    SER  49           H        SER  49 -22.473 -30.344  17.020
  352    HA   SER  49           HA       SER  49 -24.427 -31.706  15.449
  353    HB2  SER  49           HB2      SER  49 -26.473 -31.194  16.731
  354    HB3  SER  49           HB3      SER  49 -25.474 -32.411  17.516
  355    HG   SER  49           HG       SER  49 -26.130 -30.962  19.075
  356    H    VAL  50           H        VAL  50 -24.946 -28.920  17.534
  357    HA   VAL  50           HA       VAL  50 -24.067 -26.816  15.836
  358    HB   VAL  50           HB       VAL  50 -25.924 -27.410  14.359
  359   HG11  VAL  50          HG11      VAL  50 -27.451 -28.505  15.955
  360   HG12  VAL  50          HG12      VAL  50 -27.798 -26.938  16.710
  361   HG13  VAL  50          HG13      VAL  50 -28.270 -27.238  15.031
  362   HG21  VAL  50          HG21      VAL  50 -26.982 -25.271  14.140
  363   HG22  VAL  50          HG22      VAL  50 -26.602 -24.828  15.809
  364   HG23  VAL  50          HG23      VAL  50 -25.293 -25.026  14.625
  365    H    PHE  51           H        PHE  51 -24.180 -24.865  16.841
  366    HA   PHE  51           HA       PHE  51 -24.080 -23.395  18.449
  367    HB2  PHE  51           HB2      PHE  51 -25.991 -22.833  19.790
  368    HB3  PHE  51           HB3      PHE  51 -26.416 -23.155  18.130
  369    HD1  PHE  51           HD2      PHE  51 -26.466 -24.715  21.563
  370    HD2  PHE  51           HD1      PHE  51 -28.225 -24.586  17.623
  371    HE1  PHE  51           HE2      PHE  51 -28.293 -26.198  22.328
  372    HE2  PHE  51           HE1      PHE  51 -30.052 -26.073  18.396
  373    HZ   PHE  51           HZ       PHE  51 -30.090 -26.881  20.749
  374    H    SER  52           H        SER  52 -23.225 -26.315  19.101
  375    HA   SER  52           HA       SER  52 -23.082 -26.637  21.881
  376    HB2  SER  52           HB2      SER  52 -21.037 -27.759  19.961
  377    HB3  SER  52           HB3      SER  52 -21.744 -28.493  21.403
  378    HG   SER  52           HG       SER  52 -22.737 -29.463  19.741
  379    H    VAL  53           H        VAL  53 -22.285 -23.984  21.636
  380    HA   VAL  53           HA       VAL  53 -19.470 -23.930  22.613
  381    HB   VAL  53           HB       VAL  53 -19.092 -21.818  21.308
  382   HG11  VAL  53          HG11      VAL  53 -18.095 -23.980  20.615
  383   HG12  VAL  53          HG12      VAL  53 -19.502 -24.286  19.573
  384   HG13  VAL  53          HG13      VAL  53 -18.428 -22.916  19.241
  385   HG21  VAL  53          HG21      VAL  53 -21.500 -21.346  20.705
  386   HG22  VAL  53          HG22      VAL  53 -20.395 -21.306  19.329
  387   HG23  VAL  53          HG23      VAL  53 -21.445 -22.712  19.572
  388    H    LEU  54           H        LEU  54 -18.943 -22.128  23.909
  389    HA   LEU  54           HA       LEU  54 -21.095 -21.162  25.587
  390    HB2  LEU  54           HB2      LEU  54 -18.850 -21.793  26.428
  391    HB3  LEU  54           HB3      LEU  54 -18.121 -20.511  25.459
  392    HG   LEU  54           HG       LEU  54 -19.299 -18.799  26.819
  393   HD11  LEU  54          HD11      LEU  54 -21.283 -20.078  27.574
  394   HD12  LEU  54          HD12      LEU  54 -20.236 -21.175  28.499
  395   HD13  LEU  54          HD13      LEU  54 -20.371 -19.464  28.960
  396   HD21  LEU  54          HD21      LEU  54 -17.939 -19.095  28.847
  397   HD22  LEU  54          HD22      LEU  54 -17.679 -20.802  28.439
  398   HD23  LEU  54          HD23      LEU  54 -17.017 -19.524  27.396
  399    H    SER  55           H        SER  55 -22.048 -19.136  25.668
  400    HA   SER  55           HA       SER  55 -21.682 -17.314  23.406
  401    HB2  SER  55           HB2      SER  55 -23.473 -16.002  24.562
  402    HB3  SER  55           HB3      SER  55 -23.916 -17.650  24.097
  403    HG   SER  55           HG       SER  55 -24.607 -17.128  26.231
  404    H    ASN  56           H        ASN  56 -20.720 -15.398  23.333
  405    HA   ASN  56           HA       ASN  56 -19.603 -13.977  25.614
  406    HB2  ASN  56           HB2      ASN  56 -18.080 -16.048  25.274
  407    HB3  ASN  56           HB3      ASN  56 -17.747 -15.372  23.672
  408   HD21  ASN  56          HD22      ASN  56 -15.506 -15.391  24.289
  409   HD22  ASN  56          HD21      ASN  56 -14.877 -14.068  25.276
  410    H    SER  57           H        SER  57 -18.854 -11.876  24.943
  411    HA   SER  57           HA       SER  57 -19.489 -11.181  22.149
  412    HB2  SER  57           HB2      SER  57 -19.272  -8.812  23.023
  413    HB3  SER  57           HB3      SER  57 -20.559  -9.786  23.735
  414    HG   SER  57           HG       SER  57 -19.474  -8.731  25.384
  415    H    ALA  58           H        ALA  58 -18.095  -9.506  21.064
  416    HA   ALA  58           HA       ALA  58 -15.287 -10.381  20.987
  417    HB1  ALA  58           HB1      ALA  58 -16.816  -9.928  18.963
  418    HB2  ALA  58           HB2      ALA  58 -16.719  -8.210  19.375
  419    HB3  ALA  58           HB3      ALA  58 -15.248  -9.113  18.936
  420    H    GLU  59           H        GLU  59 -13.515  -8.804  21.207
  421    HA   GLU  59           HA       GLU  59 -14.174  -6.352  22.806
  422    HB2  GLU  59           HB2      GLU  59 -13.462  -8.307  24.281
  423    HB3  GLU  59           HB3      GLU  59 -11.875  -8.237  23.502
  424    HG2  GLU  59           HG2      GLU  59 -11.609  -5.893  24.268
  425    HG3  GLU  59           HG3      GLU  59 -13.209  -5.937  25.010
  426    H    VAL  60           H        VAL  60 -13.072  -4.547  22.205
  427    HA   VAL  60           HA       VAL  60 -10.955  -4.730  20.138
  428    HB   VAL  60           HB       VAL  60 -11.912  -2.244  21.598
  429   HG11  VAL  60          HG11      VAL  60 -10.441  -2.625  18.935
  430   HG12  VAL  60          HG12      VAL  60 -10.944  -1.069  19.639
  431   HG13  VAL  60          HG13      VAL  60  -9.704  -2.041  20.431
  432   HG21  VAL  60          HG21      VAL  60 -12.867  -3.371  18.930
  433   HG22  VAL  60          HG22      VAL  60 -13.837  -3.242  20.414
  434   HG23  VAL  60          HG23      VAL  60 -13.289  -1.781  19.603
  435    H    LYS  61           H        LYS  61  -8.843  -4.898  20.616
  436    HA   LYS  61           HA       LYS  61  -7.830  -4.352  23.392
  437    HB2  LYS  61           HB2      LYS  61  -7.211  -6.665  21.499
  438    HB3  LYS  61           HB3      LYS  61  -6.484  -6.423  23.091
  439    HG2  LYS  61           HG2      LYS  61  -8.845  -6.573  24.065
  440    HG3  LYS  61           HG3      LYS  61  -9.408  -6.998  22.448
  441    HD2  LYS  61           HD2      LYS  61  -9.146  -9.105  23.395
  442    HD3  LYS  61           HD3      LYS  61  -7.635  -8.884  22.504
  443    HE2  LYS  61           HE2      LYS  61  -6.867  -9.693  24.539
  444    HE3  LYS  61           HE3      LYS  61  -6.698  -7.942  24.754
  445    HZ1  LYS  61           HZ1      LYS  61  -8.932  -8.048  25.910
  446    HZ2  LYS  61           HZ2      LYS  61  -8.842  -9.676  25.847
  447    HZ3  LYS  61           HZ3      LYS  61  -7.723  -8.842  26.697
  448    H    ARG  62           H        ARG  62  -5.537  -3.958  23.616
  449    HA   ARG  62           HA       ARG  62  -4.188  -2.761  21.219
  450    HB2  ARG  62           HB2      ARG  62  -4.719  -1.101  22.971
  451    HB3  ARG  62           HB3      ARG  62  -3.857  -2.061  24.173
  452    HG2  ARG  62           HG2      ARG  62  -1.729  -1.666  23.007
  453    HG3  ARG  62           HG3      ARG  62  -2.572  -0.890  21.660
  454    HD2  ARG  62           HD2      ARG  62  -1.576   0.827  23.062
  455    HD3  ARG  62           HD3      ARG  62  -3.327   0.927  23.174
  456    HE   ARG  62           HE       ARG  62  -3.244   0.368  25.411
  457   HH11  ARG  62          HH21      ARG  62  -0.004  -0.255  24.098
  458   HH12  ARG  62          HH22      ARG  62   0.675  -0.519  25.674
  459   HH21  ARG  62          HH11      ARG  62  -2.302  -0.011  27.399
  460   HH22  ARG  62          HH12      ARG  62  -0.610  -0.366  27.517
  461    H    GLU  63           H        GLU  63  -2.140  -3.431  20.702
  462    HA   GLU  63           HA       GLU  63  -0.424  -5.048  22.377
  463    HB2  GLU  63           HB2      GLU  63  -2.366  -6.609  21.831
  464    HB3  GLU  63           HB3      GLU  63  -1.985  -6.403  20.129
  465    HG2  GLU  63           HG2      GLU  63  -1.267  -8.532  21.208
  466    HG3  GLU  63           HG3      GLU  63   0.010  -7.663  20.359
  467    H    ARG  64           H        ARG  64   1.398  -6.048  20.909
  468    HA   ARG  64           HA       ARG  64   2.028  -4.167  18.695
  469    HB2  ARG  64           HB2      ARG  64   3.721  -6.182  20.217
  470    HB3  ARG  64           HB3      ARG  64   4.252  -5.399  18.716
  471    HG2  ARG  64           HG2      ARG  64   3.791  -3.160  19.760
  472    HG3  ARG  64           HG3      ARG  64   3.437  -3.990  21.282
  473    HD2  ARG  64           HD2      ARG  64   5.738  -3.100  21.265
  474    HD3  ARG  64           HD3      ARG  64   5.743  -4.856  21.362
  475    HE   ARG  64           HE       ARG  64   6.782  -4.995  19.293
  476   HH11  ARG  64          HH22      ARG  64   5.651  -1.623  19.510
  477   HH12  ARG  64          HH21      ARG  64   6.518  -1.186  18.064
  478   HH21  ARG  64          HH11      ARG  64   7.783  -4.428  17.591
  479   HH22  ARG  64          HH12      ARG  64   7.835  -2.765  17.006
  480    H    LEU  65           H        LEU  65   2.448  -4.770  16.616
  481    HA   LEU  65           HA       LEU  65   0.747  -6.668  15.450
  482    HB2  LEU  65           HB2      LEU  65   1.702  -4.708  14.270
  483    HB3  LEU  65           HB3      LEU  65   3.314  -5.419  14.351
  484    HG   LEU  65           HG       LEU  65   2.570  -7.288  12.879
  485   HD11  LEU  65          HD11      LEU  65  -0.042  -5.723  12.671
  486   HD12  LEU  65          HD12      LEU  65   0.406  -7.126  11.686
  487   HD13  LEU  65          HD13      LEU  65   0.144  -7.316  13.425
  488   HD21  LEU  65          HD21      LEU  65   3.593  -5.247  11.933
  489   HD22  LEU  65          HD22      LEU  65   2.421  -5.975  10.822
  490   HD23  LEU  65          HD23      LEU  65   1.976  -4.528  11.748
  491    H    GLU  66           H        GLU  66   4.289  -7.012  15.951
  492    HA   GLU  66           HA       GLU  66   4.617  -9.600  14.981
  493    HB2  GLU  66           HB2      GLU  66   6.675  -9.654  16.256
  494    HB3  GLU  66           HB3      GLU  66   6.415  -8.042  15.584
  495    HG2  GLU  66           HG2      GLU  66   5.455  -7.398  17.903
  496    HG3  GLU  66           HG3      GLU  66   6.106  -8.931  18.480
  497    H    ASP  67           H        ASP  67   3.273  -8.726  18.171
  498    HA   ASP  67           HA       ASP  67   3.250 -11.504  19.127
  499    HB2  ASP  67           HB2      ASP  67   3.494  -9.561  20.647
  500    HB3  ASP  67           HB3      ASP  67   1.868  -9.027  20.213
  501    H    VAL  68           H        VAL  68   0.870  -9.184  17.774
  502    HA   VAL  68           HA       VAL  68  -1.345 -10.992  17.893
  503    HB   VAL  68           HB       VAL  68  -1.056  -8.684  15.944
  504   HG11  VAL  68          HG11      VAL  68  -3.527 -10.184  16.954
  505   HG12  VAL  68          HG12      VAL  68  -3.558  -8.717  15.953
  506   HG13  VAL  68          HG13      VAL  68  -2.900 -10.214  15.296
  507   HG21  VAL  68          HG21      VAL  68  -0.884  -7.843  18.240
  508   HG22  VAL  68          HG22      VAL  68  -2.471  -7.442  17.608
  509   HG23  VAL  68          HG23      VAL  68  -2.294  -8.796  18.736
  510    H    VAL  69           H        VAL  69   1.048 -10.427  15.218
  511    HA   VAL  69           HA       VAL  69  -0.196 -12.305  13.450
  512    HB   VAL  69           HB       VAL  69   1.849 -12.156  12.154
  513   HG11  VAL  69          HG11      VAL  69   0.198 -10.437  11.816
  514   HG12  VAL  69          HG12      VAL  69   0.838  -9.487  13.159
  515   HG13  VAL  69          HG13      VAL  69   1.808  -9.708  11.700
  516   HG21  VAL  69          HG21      VAL  69   3.025 -10.802  14.491
  517   HG22  VAL  69          HG22      VAL  69   3.643 -12.187  13.596
  518   HG23  VAL  69          HG23      VAL  69   3.680 -10.580  12.855
  519    H    GLY  70           H        GLY  70   2.450 -12.701  15.889
  520    HA2  GLY  70           HA2      GLY  70   3.201 -14.582  16.946
  521    HA3  GLY  70           HA3      GLY  70   1.685 -15.364  16.446
  522    H    GLY  71           H        GLY  71   3.827 -14.249  13.941
  523    HA2  GLY  71           HA2      GLY  71   5.352 -15.420  12.573
  524    HA3  GLY  71           HA3      GLY  71   4.957 -16.942  13.399
  525    H    CYS  72           H        CYS  72   1.966 -15.781  12.793
  526    HA   CYS  72           HA       CYS  72   1.575 -17.317  10.335
  527    HB2  CYS  72           HB2      CYS  72  -0.372 -15.649  12.008
  528    HB3  CYS  72           HB3      CYS  72  -0.816 -16.774  10.724
  529    HG   CYS  72           HG       CYS  72  -1.364 -17.869  13.021
  530    H    CYS  73           H        CYS  73   0.120 -16.344   8.610
  531    HA   CYS  73           HA       CYS  73   1.531 -14.141   7.365
  532    HB2  CYS  73           HB2      CYS  73  -0.952 -15.744   6.564
  533    HB3  CYS  73           HB3      CYS  73  -0.211 -14.498   5.551
  534    HG   CYS  73           HG       CYS  73   1.314 -17.189   6.803
  535    H    TYR  74           H        TYR  74   0.687 -12.207   6.562
  536    HA   TYR  74           HA       TYR  74  -1.874 -11.174   7.402
  537    HB2  TYR  74           HB2      TYR  74  -1.143  -9.325   8.746
  538    HB3  TYR  74           HB3      TYR  74  -0.573 -10.807   9.470
  539    HD1  TYR  74           HD2      TYR  74   1.897 -11.446   9.222
  540    HD2  TYR  74           HD1      TYR  74   0.349  -7.578   8.108
  541    HE1  TYR  74           HE2      TYR  74   4.191 -10.492   9.340
  542    HE2  TYR  74           HE1      TYR  74   2.636  -6.617   8.235
  543    HH   TYR  74           HH       TYR  74   4.861  -7.037   8.675
  544    H    ARG  75           H        ARG  75  -2.414  -9.115   6.492
  545    HA   ARG  75           HA       ARG  75  -0.771  -8.133   4.207
  546    HB2  ARG  75           HB2      ARG  75  -3.698  -8.953   3.888
  547    HB3  ARG  75           HB3      ARG  75  -2.661  -8.217   2.671
  548    HG2  ARG  75           HG2      ARG  75  -2.541 -10.375   1.972
  549    HG3  ARG  75           HG3      ARG  75  -1.140 -10.348   3.047
  550    HD2  ARG  75           HD2      ARG  75  -2.710 -11.229   4.876
  551    HD3  ARG  75           HD3      ARG  75  -3.942 -11.398   3.623
  552    HE   ARG  75           HE       ARG  75  -1.468 -12.672   2.849
  553   HH11  ARG  75          HH21      ARG  75  -4.405 -13.296   4.779
  554   HH12  ARG  75          HH22      ARG  75  -4.163 -15.019   4.686
  555   HH21  ARG  75          HH11      ARG  75  -1.282 -14.892   2.755
  556   HH22  ARG  75          HH12      ARG  75  -2.446 -15.908   3.546
  557    H    VAL  76           H        VAL  76  -1.763  -6.040   3.317
  558    HA   VAL  76           HA       VAL  76  -3.582  -4.704   5.308
  559    HB   VAL  76           HB       VAL  76  -1.533  -3.268   3.597
  560   HG11  VAL  76          HG11      VAL  76  -2.052  -1.286   4.907
  561   HG12  VAL  76          HG12      VAL  76  -3.580  -1.873   4.249
  562   HG13  VAL  76          HG13      VAL  76  -3.171  -2.167   5.944
  563   HG21  VAL  76          HG21      VAL  76  -0.358  -4.582   5.269
  564   HG22  VAL  76          HG22      VAL  76  -0.378  -2.892   5.799
  565   HG23  VAL  76          HG23      VAL  76  -1.489  -4.073   6.534
  566    H    ASN  77           H        ASN  77  -5.416  -3.847   4.571
  567    HA   ASN  77           HA       ASN  77  -5.933  -3.328   1.737
  568    HB2  ASN  77           HB2      ASN  77  -6.229  -5.737   1.701
  569    HB3  ASN  77           HB3      ASN  77  -7.204  -5.689   3.174
  570   HD21  ASN  77          HD22      ASN  77  -7.191  -4.489  -0.256
  571   HD22  ASN  77          HD21      ASN  77  -8.948  -4.411  -0.351
  572    H    ASN  78           H        ASN  78  -7.290  -1.680   1.585
  573    HA   ASN  78           HA       ASN  78  -9.458  -1.249   3.568
  574    HB2  ASN  78           HB2      ASN  78  -8.884   1.108   3.786
  575    HB3  ASN  78           HB3      ASN  78  -7.576   0.088   4.350
  576   HD21  ASN  78          HD22      ASN  78  -7.055   2.721   3.861
  577   HD22  ASN  78          HD21      ASN  78  -6.065   2.867   2.423
  578    H    SER  79           H        SER  79 -10.210  -2.433   1.407
  579    HA   SER  79           HA       SER  79 -10.306  -1.277  -1.054
  580    HB2  SER  79           HB2      SER  79 -12.524  -2.904   0.241
  581    HB3  SER  79           HB3      SER  79 -12.325  -2.637  -1.502
  582    HG   SER  79           HG       SER  79 -11.415  -4.622  -0.792
  583    H    LEU  80           H        LEU  80 -12.714  -0.462   1.477
  584    HA   LEU  80           HA       LEU  80 -14.266   1.240  -0.308
  585    HB2  LEU  80           HB2      LEU  80 -14.092   1.206   2.734
  586    HB3  LEU  80           HB3      LEU  80 -15.295   2.073   1.774
  587    HG   LEU  80           HG       LEU  80 -14.997  -0.950   1.922
  588   HD11  LEU  80          HD11      LEU  80 -17.152   0.941   2.982
  589   HD12  LEU  80          HD12      LEU  80 -17.139  -0.830   3.123
  590   HD13  LEU  80          HD13      LEU  80 -15.910   0.134   3.966
  591   HD21  LEU  80          HD21      LEU  80 -16.981   0.782   0.370
  592   HD22  LEU  80          HD22      LEU  80 -15.789  -0.330  -0.321
  593   HD23  LEU  80          HD23      LEU  80 -17.142  -0.969   0.618
  594    H    ASP  81           H        ASP  81 -11.490   1.887   1.793
  595    HA   ASP  81           HA       ASP  81 -11.585   4.786   1.389
  596    HB2  ASP  81           HB2      ASP  81 -10.464   3.218   3.294
  597    HB3  ASP  81           HB3      ASP  81  -9.092   3.330   2.205
  598    H    HIS  82           H        HIS  82 -10.141   2.009  -0.208
  599    HA   HIS  82           HA       HIS  82  -8.540   3.517  -2.132
  600    HB2  HIS  82           HB2      HIS  82  -8.389   1.008  -1.423
  601    HB3  HIS  82           HB3      HIS  82  -9.740   0.758  -2.539
  602    HD1  HIS  82           HD1      HIS  82  -8.639   2.661  -4.926
  603    HD2  HIS  82           HD2      HIS  82  -6.485  -0.209  -2.733
  604    HE1  HIS  82           HE1      HIS  82  -6.683   1.953  -6.403
  605    H    GLU  83           H        GLU  83 -11.900   2.324  -2.005
  606    HA   GLU  83           HA       GLU  83 -12.625   2.793  -4.681
  607    HB2  GLU  83           HB2      GLU  83 -13.805   1.417  -2.842
  608    HB3  GLU  83           HB3      GLU  83 -14.526   2.938  -2.329
  609    HG2  GLU  83           HG2      GLU  83 -16.056   1.792  -3.730
  610    HG3  GLU  83           HG3      GLU  83 -15.469   3.184  -4.643
  611    H    TYR  84           H        TYR  84 -12.577   4.937  -1.887
  612    HA   TYR  84           HA       TYR  84 -12.624   7.347  -3.472
  613    HB2  TYR  84           HB2      TYR  84 -14.709   8.207  -2.140
  614    HB3  TYR  84           HB3      TYR  84 -14.908   7.325  -3.641
  615    HD1  TYR  84           HD2      TYR  84 -15.047   6.955   0.089
  616    HD2  TYR  84           HD1      TYR  84 -16.203   5.336  -3.736
  617    HE1  TYR  84           HE2      TYR  84 -16.503   5.312   1.228
  618    HE2  TYR  84           HE1      TYR  84 -17.649   3.663  -2.594
  619    HH   TYR  84           HH       TYR  84 -17.852   3.473   0.983
  620    H    GLN  85           H        GLN  85 -12.089   9.155  -2.428
  621    HA   GLN  85           HA       GLN  85 -11.839  10.739  -0.965
  622    HB2  GLN  85           HB2      GLN  85 -13.652  10.843   0.167
  623    HB3  GLN  85           HB3      GLN  85 -13.947   9.155  -0.031
  624    HG2  GLN  85           HG2      GLN  85 -12.592  10.471   2.319
  625    HG3  GLN  85           HG3      GLN  85 -14.241   9.947   2.236
  626   HE21  GLN  85          HE22      GLN  85 -11.108   8.929   3.202
  627   HE22  GLN  85          HE21      GLN  85 -11.441   7.215   3.371
  628    HA   PRO  86           HA       PRO  86  -8.164  10.166   1.591
  629    HB2  PRO  86           HB2      PRO  86  -7.803  12.657   2.553
  630    HB3  PRO  86           HB3      PRO  86  -7.692  12.343   0.795
  631    HG2  PRO  86           HG2      PRO  86 -10.084  13.406   2.346
  632    HG3  PRO  86           HG3      PRO  86  -9.353  14.070   0.850
  633    HD2  PRO  86           HD2      PRO  86 -11.529  12.369   0.853
  634    HD3  PRO  86           HD3      PRO  86 -10.330  12.410  -0.475
  635    H    ARG  87           H        ARG  87  -7.550  10.250   3.986
  636    HA   ARG  87           HA       ARG  87  -9.884  10.667   5.777
  637    HB2  ARG  87           HB2      ARG  87  -9.780   8.552   6.710
  638    HB3  ARG  87           HB3      ARG  87  -9.576   8.283   4.985
  639    HG2  ARG  87           HG2      ARG  87  -7.125   8.029   5.290
  640    HG3  ARG  87           HG3      ARG  87  -7.336   8.238   7.044
  641    HD2  ARG  87           HD2      ARG  87  -8.851   6.285   7.106
  642    HD3  ARG  87           HD3      ARG  87  -8.641   6.049   5.388
  643    HE   ARG  87           HE       ARG  87  -6.744   5.379   7.514
  644   HH11  ARG  87          HH11      ARG  87  -7.072   5.729   3.964
  645   HH12  ARG  87          HH12      ARG  87  -5.476   5.068   3.713
  646   HH21  ARG  87          HH21      ARG  87  -4.875   4.338   7.042
  647   HH22  ARG  87          HH22      ARG  87  -4.396   4.039   5.384
  648    HA   PRO  88           HA       PRO  88  -6.909  12.715   8.375
  649    HB2  PRO  88           HB2      PRO  88  -8.289  13.100  10.646
  650    HB3  PRO  88           HB3      PRO  88  -8.799  13.848   9.111
  651    HG2  PRO  88           HG2      PRO  88  -9.866  11.274  10.334
  652    HG3  PRO  88           HG3      PRO  88 -10.796  12.689   9.744
  653    HD2  PRO  88           HD2      PRO  88 -10.347  10.498   8.172
  654    HD3  PRO  88           HD3      PRO  88 -10.362  12.162   7.498
  655    H    VAL  89           H        VAL  89  -5.474  10.898   8.267
  656    HA   VAL  89           HA       VAL  89  -5.727   8.493   9.627
  657    HB   VAL  89           HB       VAL  89  -3.439  10.005   8.431
  658   HG11  VAL  89          HG11      VAL  89  -2.990   7.461  10.013
  659   HG12  VAL  89          HG12      VAL  89  -1.879   8.098   8.778
  660   HG13  VAL  89          HG13      VAL  89  -2.204   9.032  10.244
  661   HG21  VAL  89          HG21      VAL  89  -4.694   7.267   7.914
  662   HG22  VAL  89          HG22      VAL  89  -5.072   8.760   7.041
  663   HG23  VAL  89          HG23      VAL  89  -3.459   8.054   6.907
  664    H    GLU  90           H        GLU  90  -4.295  11.461  11.026
  665    HA   GLU  90           HA       GLU  90  -3.353  10.122  13.425
  666    HB2  GLU  90           HB2      GLU  90  -4.005  13.070  13.039
  667    HB3  GLU  90           HB3      GLU  90  -3.042  12.354  14.338
  668    HG2  GLU  90           HG2      GLU  90  -1.451  11.488  12.549
  669    HG3  GLU  90           HG3      GLU  90  -2.371  12.448  11.379
  670    H    VAL  91           H        VAL  91  -6.391  11.720  12.539
  671    HA   VAL  91           HA       VAL  91  -7.529  11.608  15.226
  672    HB   VAL  91           HB       VAL  91  -8.908  12.024  12.557
  673   HG11  VAL  91          HG11      VAL  91 -10.664  13.188  13.912
  674   HG12  VAL  91          HG12      VAL  91 -10.557  11.465  14.278
  675   HG13  VAL  91          HG13      VAL  91  -9.843  12.651  15.392
  676   HG21  VAL  91          HG21      VAL  91  -7.164  13.742  12.908
  677   HG22  VAL  91          HG22      VAL  91  -8.771  14.447  13.091
  678   HG23  VAL  91          HG23      VAL  91  -7.800  14.071  14.535
  679    H    ILE  92           H        ILE  92  -7.549   9.517  12.354
  680    HA   ILE  92           HA       ILE  92  -9.393   7.523  13.441
  681    HB   ILE  92           HB       ILE  92  -7.416   7.651  11.145
  682   HG12  ILE  92          HG12      ILE  92 -10.452   7.337  11.278
  683   HG13  ILE  92          HG13      ILE  92  -9.652   8.896  11.201
  684   HG21  ILE  92          HG21      ILE  92  -7.289   5.329  11.828
  685   HG22  ILE  92          HG22      ILE  92  -9.049   5.215  11.966
  686   HG23  ILE  92          HG23      ILE  92  -8.278   5.425  10.380
  687   HD11  ILE  92          HD11      ILE  92  -8.649   8.331   9.036
  688   HD12  ILE  92          HD12      ILE  92  -9.506   6.765   9.061
  689   HD13  ILE  92          HD13      ILE  92 -10.426   8.276   9.008
  690    H    ILE  93           H        ILE  93  -5.804   7.744  13.451
  691    HA   ILE  93           HA       ILE  93  -5.361   5.430  15.114
  692    HB   ILE  93           HB       ILE  93  -3.842   8.024  14.617
  693   HG12  ILE  93          HG12      ILE  93  -3.198   5.130  13.887
  694   HG13  ILE  93          HG13      ILE  93  -4.025   6.247  12.823
  695   HG21  ILE  93          HG21      ILE  93  -1.892   7.049  15.838
  696   HG22  ILE  93          HG22      ILE  93  -3.231   7.438  16.891
  697   HG23  ILE  93          HG23      ILE  93  -2.943   5.747  16.423
  698   HD11  ILE  93          HD11      ILE  93  -1.165   6.531  13.816
  699   HD12  ILE  93          HD12      ILE  93  -1.708   6.201  12.177
  700   HD13  ILE  93          HD13      ILE  93  -2.047   7.782  12.902
  701    H    SER  94           H        SER  94  -6.108   8.818  15.989
  702    HA   SER  94           HA       SER  94  -6.098   8.392  18.820
  703    HB2  SER  94           HB2      SER  94  -7.746  10.407  17.244
  704    HB3  SER  94           HB3      SER  94  -7.359  10.473  18.964
  705    HG   SER  94           HG       SER  94  -5.560  10.702  16.752
  706    H    SER  95           H        SER  95  -8.788   8.123  16.444
  707    HA   SER  95           HA       SER  95 -10.865   7.521  18.273
  708    HB2  SER  95           HB2      SER  95 -11.134   8.152  15.866
  709    HB3  SER  95           HB3      SER  95 -10.558   6.535  15.415
  710    HG   SER  95           HG       SER  95 -12.827   6.583  15.468
  711    H    ALA  96           H        ALA  96  -8.568   5.306  16.599
  712    HA   ALA  96           HA       ALA  96  -9.556   2.854  17.621
  713    HB1  ALA  96           HB1      ALA  96  -7.403   1.999  16.956
  714    HB2  ALA  96           HB2      ALA  96  -7.796   3.293  15.812
  715    HB3  ALA  96           HB3      ALA  96  -6.636   3.603  17.111
  716    H    LYS  97           H        LYS  97  -7.056   5.025  19.006
  717    HA   LYS  97           HA       LYS  97  -6.776   3.581  21.489
  718    HB2  LYS  97           HB2      LYS  97  -6.048   6.418  20.663
  719    HB3  LYS  97           HB3      LYS  97  -5.601   5.687  22.210
  720    HG2  LYS  97           HG2      LYS  97  -4.434   3.838  21.001
  721    HG3  LYS  97           HG3      LYS  97  -4.754   4.650  19.468
  722    HD2  LYS  97           HD2      LYS  97  -3.104   5.758  21.785
  723    HD3  LYS  97           HD3      LYS  97  -2.472   5.075  20.280
  724    HE2  LYS  97           HE2      LYS  97  -3.634   6.868  18.984
  725    HE3  LYS  97           HE3      LYS  97  -4.214   7.575  20.499
  726    HZ1  LYS  97           HZ1      LYS  97  -1.893   7.931  21.155
  727    HZ2  LYS  97           HZ2      LYS  97  -1.350   7.295  19.748
  728    HZ3  LYS  97           HZ3      LYS  97  -2.200   8.692  19.746
  729    H    GLU  98           H        GLU  98  -9.272   5.810  20.486
  730    HA   GLU  98           HA       GLU  98 -10.224   6.209  23.218
  731    HB2  GLU  98           HB2      GLU  98 -11.337   6.987  20.512
  732    HB3  GLU  98           HB3      GLU  98 -12.257   7.169  22.007
  733    HG2  GLU  98           HG2      GLU  98 -10.501   8.590  22.969
  734    HG3  GLU  98           HG3      GLU  98  -9.542   8.451  21.498
  735    H    MET  99           H        MET  99 -11.227   4.195  20.419
  736    HA   MET  99           HA       MET  99 -13.464   3.068  21.940
  737    HB2  MET  99           HB2      MET  99 -14.058   1.917  20.028
  738    HB3  MET  99           HB3      MET  99 -13.521   3.505  19.491
  739    HG2  MET  99           HG2      MET  99 -11.346   2.498  18.820
  740    HG3  MET  99           HG3      MET  99 -11.939   0.901  19.294
  741    HE1  MET  99           HE1      MET  99 -15.117   1.171  18.162
  742    HE2  MET  99           HE2      MET  99 -14.801   0.258  16.677
  743    HE3  MET  99           HE3      MET  99 -14.066  -0.257  18.211
  744    H    VAL 100           H        VAL 100 -10.152   2.042  21.419
  745    HA   VAL 100           HA       VAL 100 -10.376  -0.639  22.070
  746    HB   VAL 100           HB       VAL 100  -8.293   0.394  21.443
  747   HG11  VAL 100          HG11      VAL 100  -8.341   2.378  22.950
  748   HG12  VAL 100          HG12      VAL 100  -7.950   1.320  24.322
  749   HG13  VAL 100          HG13      VAL 100  -6.802   1.494  22.984
  750   HG21  VAL 100          HG21      VAL 100  -8.382  -1.866  22.419
  751   HG22  VAL 100          HG22      VAL 100  -6.856  -1.055  22.751
  752   HG23  VAL 100          HG23      VAL 100  -8.067  -1.192  24.032
  753    H    GLY 101           H        GLY 101 -10.811  -1.872  23.668
  754    HA2  GLY 101           HA2      GLY 101 -11.190  -2.489  25.956
  755    HA3  GLY 101           HA3      GLY 101 -11.484  -0.783  26.378
  756    H    GLN 102           H        GLN 102 -13.244  -0.775  23.668
  757    HA   GLN 102           HA       GLN 102 -15.682  -1.582  25.037
  758    HB2  GLN 102           HB2      GLN 102 -16.900  -0.526  23.437
  759    HB3  GLN 102           HB3      GLN 102 -15.472   0.478  23.593
  760    HG2  GLN 102           HG2      GLN 102 -14.642  -0.326  21.404
  761    HG3  GLN 102           HG3      GLN 102 -15.918  -1.536  21.333
  762   HE21  GLN 102          HE22      GLN 102 -15.943   2.041  22.098
  763   HE22  GLN 102          HE21      GLN 102 -17.161   2.383  20.879
  764    H    LYS 103           H        LYS 103 -17.323  -2.791  23.931
  765    HA   LYS 103           HA       LYS 103 -16.301  -5.288  22.666
  766    HB2  LYS 103           HB2      LYS 103 -18.270  -4.991  24.983
  767    HB3  LYS 103           HB3      LYS 103 -17.962  -6.505  24.132
  768    HG2  LYS 103           HG2      LYS 103 -15.601  -6.465  24.833
  769    HG3  LYS 103           HG3      LYS 103 -15.869  -4.933  25.694
  770    HD2  LYS 103           HD2      LYS 103 -17.562  -6.040  27.137
  771    HD3  LYS 103           HD3      LYS 103 -17.268  -7.580  26.292
  772    HE2  LYS 103           HE2      LYS 103 -14.902  -7.531  26.997
  773    HE3  LYS 103           HE3      LYS 103 -15.147  -5.977  27.803
  774    HZ1  LYS 103           HZ1      LYS 103 -16.712  -7.082  29.311
  775    HZ2  LYS 103           HZ2      LYS 103 -16.483  -8.523  28.559
  776    HZ3  LYS 103           HZ3      LYS 103 -15.255  -7.816  29.375
  777    H    MET 104           H        MET 104 -17.749  -6.481  21.382
  778    HA   MET 104           HA       MET 104 -20.326  -5.214  20.586
  779    HB2  MET 104           HB2      MET 104 -18.178  -5.920  18.551
  780    HB3  MET 104           HB3      MET 104 -19.804  -5.324  18.224
  781    HG2  MET 104           HG2      MET 104 -18.668  -3.366  18.001
  782    HG3  MET 104           HG3      MET 104 -19.108  -3.268  19.693
  783    HE1  MET 104           HE1      MET 104 -14.959  -3.941  17.825
  784    HE2  MET 104           HE2      MET 104 -16.279  -5.107  17.593
  785    HE3  MET 104           HE3      MET 104 -16.457  -3.432  17.020
  786    H    LYS 105           H        LYS 105 -21.750  -6.592  19.401
  787    HA   LYS 105           HA       LYS 105 -21.022  -9.430  19.000
  788    HB2  LYS 105           HB2      LYS 105 -21.662  -9.074  21.421
  789    HB3  LYS 105           HB3      LYS 105 -23.255  -8.561  20.900
  790    HG2  LYS 105           HG2      LYS 105 -23.068 -10.883  21.796
  791    HG3  LYS 105           HG3      LYS 105 -23.835 -10.793  20.215
  792    HD2  LYS 105           HD2      LYS 105 -21.969 -11.769  19.109
  793    HD3  LYS 105           HD3      LYS 105 -20.861 -11.346  20.410
  794    HE2  LYS 105           HE2      LYS 105 -21.220 -13.726  20.449
  795    HE3  LYS 105           HE3      LYS 105 -21.884 -12.996  21.907
  796    HZ1  LYS 105           HZ1      LYS 105 -24.111 -13.210  20.952
  797    HZ2  LYS 105           HZ2      LYS 105 -23.505 -13.797  19.539
  798    HZ3  LYS 105           HZ3      LYS 105 -23.363 -14.676  20.916
  799    H    TYR 106           H        TYR 106 -22.656  -6.770  17.808
  800    HA   TYR 106           HA       TYR 106 -25.022  -8.028  16.743
  801    HB2  TYR 106           HB2      TYR 106 -23.662  -5.448  15.900
  802    HB3  TYR 106           HB3      TYR 106 -25.316  -5.926  15.546
  803    HD1  TYR 106           HD2      TYR 106 -26.868  -6.421  17.617
  804    HD2  TYR 106           HD1      TYR 106 -23.222  -4.122  17.812
  805    HE1  TYR 106           HE2      TYR 106 -27.635  -5.394  19.748
  806    HE2  TYR 106           HE1      TYR 106 -23.977  -3.102  19.946
  807    HH   TYR 106           HH       TYR 106 -27.128  -3.930  21.448
  808    H    SER 107           H        SER 107 -25.487  -8.818  14.751
  809    HA   SER 107           HA       SER 107 -25.326  -9.609  12.634
  810    HB2  SER 107           HB2      SER 107 -24.368  -7.260  12.261
  811    HB3  SER 107           HB3      SER 107 -22.781  -8.050  12.143
  812    HG   SER 107           HG       SER 107 -24.319  -7.757  10.179
  813    H    ILE 108           H        ILE 108 -23.496 -10.554  10.975
  814    HA   ILE 108           HA       ILE 108 -22.440 -12.944  12.351
  815    HB   ILE 108           HB       ILE 108 -21.789 -13.697  10.075
  816   HG12  ILE 108          HG12      ILE 108 -23.094 -11.133   9.046
  817   HG13  ILE 108          HG13      ILE 108 -21.358 -11.448   9.064
  818   HG21  ILE 108          HG21      ILE 108 -24.693 -12.767  10.218
  819   HG22  ILE 108          HG22      ILE 108 -24.050 -14.166   9.331
  820   HG23  ILE 108          HG23      ILE 108 -24.027 -14.166  11.091
  821   HD11  ILE 108          HD11      ILE 108 -21.714 -13.424   7.578
  822   HD12  ILE 108          HD12      ILE 108 -23.435 -12.972   7.455
  823   HD13  ILE 108          HD13      ILE 108 -22.187 -11.874   6.851
  824    H    VAL 109           H        VAL 109 -20.218 -13.623  12.307
  825    HA   VAL 109           HA       VAL 109 -18.577 -11.710  13.388
  826    HB   VAL 109           HB       VAL 109 -16.626 -13.232  13.150
  827   HG11  VAL 109          HG11      VAL 109 -17.505 -14.920  14.628
  828   HG12  VAL 109          HG12      VAL 109 -18.284 -13.371  14.992
  829   HG13  VAL 109          HG13      VAL 109 -19.170 -14.614  14.085
  830   HG21  VAL 109          HG21      VAL 109 -17.104 -14.300  10.962
  831   HG22  VAL 109          HG22      VAL 109 -16.923 -15.500  12.250
  832   HG23  VAL 109          HG23      VAL 109 -18.536 -15.086  11.647
  833    H    SER 110           H        SER 110 -18.414 -12.611   9.903
  834    HA   SER 110           HA       SER 110 -16.117 -10.938   9.376
  835    HB2  SER 110           HB2      SER 110 -18.281 -11.947   7.500
  836    HB3  SER 110           HB3      SER 110 -16.732 -11.228   7.013
  837    HG   SER 110           HG       SER 110 -16.696 -13.556   7.090
  838    H    ARG 111           H        ARG 111 -19.637 -10.238   9.301
  839    HA   ARG 111           HA       ARG 111 -19.181  -7.525   8.337
  840    HB2  ARG 111           HB2      ARG 111 -21.356  -8.856   8.036
  841    HB3  ARG 111           HB3      ARG 111 -21.679  -8.498   9.731
  842    HG2  ARG 111           HG2      ARG 111 -22.806  -6.773   8.548
  843    HG3  ARG 111           HG3      ARG 111 -21.340  -5.980   9.116
  844    HD2  ARG 111           HD2      ARG 111 -21.686  -5.308   6.853
  845    HD3  ARG 111           HD3      ARG 111 -20.306  -6.403   6.853
  846    HE   ARG 111           HE       ARG 111 -22.845  -7.750   6.350
  847   HH11  ARG 111          HH11      ARG 111 -20.274  -5.923   4.715
  848   HH12  ARG 111          HH12      ARG 111 -20.643  -6.645   3.170
  849   HH21  ARG 111          HH21      ARG 111 -23.255  -8.629   4.325
  850   HH22  ARG 111          HH22      ARG 111 -22.307  -8.141   2.955
  851    H    ASN 112           H        ASN 112 -19.586  -9.040  11.520
  852    HA   ASN 112           HA       ASN 112 -19.569  -6.693  13.126
  853    HB2  ASN 112           HB2      ASN 112 -20.011  -9.061  13.852
  854    HB3  ASN 112           HB3      ASN 112 -18.279  -9.382  13.760
  855   HD21  ASN 112          HD22      ASN 112 -20.808  -7.605  15.502
  856   HD22  ASN 112          HD21      ASN 112 -19.791  -7.226  16.895
  857    H    CYS 113           H        CYS 113 -16.813  -8.573  11.847
  858    HA   CYS 113           HA       CYS 113 -14.693  -6.836  12.627
  859    HB2  CYS 113           HB2      CYS 113 -15.179  -9.203  10.909
  860    HB3  CYS 113           HB3      CYS 113 -13.953  -8.151  10.217
  861    HG   CYS 113           HG       CYS 113 -12.835 -10.057  11.647
  862    H    GLU 114           H        GLU 114 -16.425  -6.879   9.436
  863    HA   GLU 114           HA       GLU 114 -15.103  -4.618   8.368
  864    HB2  GLU 114           HB2      GLU 114 -16.499  -6.241   7.112
  865    HB3  GLU 114           HB3      GLU 114 -17.952  -5.560   7.850
  866    HG2  GLU 114           HG2      GLU 114 -17.444  -3.359   6.778
  867    HG3  GLU 114           HG3      GLU 114 -15.992  -4.061   6.053
  868    H    HIS 115           H        HIS 115 -18.196  -4.720  10.184
  869    HA   HIS 115           HA       HIS 115 -18.854  -1.989  10.258
  870    HB2  HIS 115           HB2      HIS 115 -20.322  -3.829  10.906
  871    HB3  HIS 115           HB3      HIS 115 -19.276  -4.240  12.263
  872    HD1  HIS 115           HD1      HIS 115 -21.103  -0.904  11.297
  873    HD2  HIS 115           HD2      HIS 115 -20.483  -3.652  14.427
  874    HE1  HIS 115           HE1      HIS 115 -22.399  -0.015  13.297
  875    H    PHE 116           H        PHE 116 -16.686  -3.889  12.421
  876    HA   PHE 116           HA       PHE 116 -15.910  -1.758  14.164
  877    HB2  PHE 116           HB2      PHE 116 -15.541  -3.923  14.925
  878    HB3  PHE 116           HB3      PHE 116 -14.826  -4.476  13.448
  879    HD1  PHE 116           HD2      PHE 116 -14.155  -2.087  16.268
  880    HD2  PHE 116           HD1      PHE 116 -12.484  -4.610  13.193
  881    HE1  PHE 116           HE2      PHE 116 -11.877  -1.692  17.168
  882    HE2  PHE 116           HE1      PHE 116 -10.214  -4.225  14.111
  883    HZ   PHE 116           HZ       PHE 116  -9.908  -2.789  16.121
  884    H    VAL 117           H        VAL 117 -14.155  -3.034  11.200
  885    HA   VAL 117           HA       VAL 117 -12.297  -0.825  11.452
  886    HB   VAL 117           HB       VAL 117 -11.510  -1.278   9.151
  887   HG11  VAL 117          HG11      VAL 117 -10.337  -3.299   9.808
  888   HG12  VAL 117          HG12      VAL 117 -10.436  -2.165  11.151
  889   HG13  VAL 117          HG13      VAL 117 -11.512  -3.581  11.119
  890   HG21  VAL 117          HG21      VAL 117 -13.291  -3.726   9.251
  891   HG22  VAL 117          HG22      VAL 117 -13.587  -2.310   8.214
  892   HG23  VAL 117          HG23      VAL 117 -12.130  -3.292   7.989
  893    H    THR 118           H        THR 118 -15.441  -0.875   9.948
  894    HA   THR 118           HA       THR 118 -15.037   1.683   8.544
  895    HB   THR 118           HB       THR 118 -17.729   0.771   9.534
  896    HG1  THR 118           HG1      THR 118 -16.680  -1.023   8.432
  897   HG21  THR 118          HG21      THR 118 -18.460   1.820   7.423
  898   HG22  THR 118          HG22      THR 118 -17.511   2.973   8.379
  899   HG23  THR 118          HG23      THR 118 -16.776   2.155   6.975
  900    H    GLN 119           H        GLN 119 -16.295   0.772  11.805
  901    HA   GLN 119           HA       GLN 119 -16.588   3.480  12.727
  902    HB2  GLN 119           HB2      GLN 119 -16.244   0.821  14.105
  903    HB3  GLN 119           HB3      GLN 119 -16.290   2.330  15.022
  904    HG2  GLN 119           HG2      GLN 119 -18.473   2.910  14.215
  905    HG3  GLN 119           HG3      GLN 119 -18.444   1.639  12.991
  906   HE21  GLN 119          HE22      GLN 119 -18.329  -0.619  13.772
  907   HE22  GLN 119          HE21      GLN 119 -19.296  -0.992  15.203
  908    H    LEU 120           H        LEU 120 -13.654   1.485  12.428
  909    HA   LEU 120           HA       LEU 120 -11.965   3.398  13.819
  910    HB2  LEU 120           HB2      LEU 120 -11.413   1.161  11.834
  911    HB3  LEU 120           HB3      LEU 120 -10.138   2.193  12.459
  912    HG   LEU 120           HG       LEU 120 -11.973   0.624  14.324
  913   HD11  LEU 120          HD11      LEU 120  -9.475  -0.233  12.833
  914   HD12  LEU 120          HD12      LEU 120  -9.816  -0.878  14.446
  915   HD13  LEU 120          HD13      LEU 120 -10.976  -1.129  13.143
  916   HD21  LEU 120          HD21      LEU 120 -10.685   2.510  15.336
  917   HD22  LEU 120          HD22      LEU 120 -10.117   0.944  15.918
  918   HD23  LEU 120          HD23      LEU 120  -9.191   1.816  14.679
  919    H    ARG 121           H        ARG 121 -12.404   2.810  10.254
  920    HA   ARG 121           HA       ARG 121 -11.101   5.346   9.680
  921    HB2  ARG 121           HB2      ARG 121 -11.138   4.830   7.440
  922    HB3  ARG 121           HB3      ARG 121 -10.883   3.283   8.241
  923    HG2  ARG 121           HG2      ARG 121 -13.220   2.633   7.787
  924    HG3  ARG 121           HG3      ARG 121 -13.587   4.242   7.177
  925    HD2  ARG 121           HD2      ARG 121 -11.670   3.771   5.446
  926    HD3  ARG 121           HD3      ARG 121 -11.945   2.079   5.873
  927    HE   ARG 121           HE       ARG 121 -14.226   2.254   5.115
  928   HH11  ARG 121          HH11      ARG 121 -12.287   5.090   4.122
  929   HH12  ARG 121          HH12      ARG 121 -13.607   5.771   3.228
  930   HH21  ARG 121          HH21      ARG 121 -15.883   3.267   3.907
  931   HH22  ARG 121          HH22      ARG 121 -15.553   4.787   3.122
  932    H    TYR 122           H        TYR 122 -13.965   5.097  10.983
  933    HA   TYR 122           HA       TYR 122 -15.913   6.085   9.441
  934    HB2  TYR 122           HB2      TYR 122 -15.820   5.261  11.898
  935    HB3  TYR 122           HB3      TYR 122 -15.649   6.932  12.347
  936    HD1  TYR 122           HD1      TYR 122 -17.863   4.385  10.789
  937    HD2  TYR 122           HD2      TYR 122 -17.585   8.425  12.273
  938    HE1  TYR 122           HE1      TYR 122 -20.342   4.573  10.726
  939    HE2  TYR 122           HE2      TYR 122 -20.062   8.624  12.212
  940    HH   TYR 122           HH       TYR 122 -22.048   7.565  11.731
  941    H    GLY 123           H        GLY 123 -13.290   7.878  10.717
  942    HA2  GLY 123           HA2      GLY 123 -13.932  10.539  10.990
  943    HA3  GLY 123           HA3      GLY 123 -12.420   9.967  10.245
  944    H    LYS 124           H        LYS 124 -13.440   8.894   7.854
  945    HA   LYS 124           HA       LYS 124 -14.990  11.060   6.505
  946    HB2  LYS 124           HB2      LYS 124 -12.208  10.039   5.842
  947    HB3  LYS 124           HB3      LYS 124 -13.230  10.642   4.557
  948    HG2  LYS 124           HG2      LYS 124 -12.522  12.305   6.992
  949    HG3  LYS 124           HG3      LYS 124 -11.644  12.333   5.464
  950    HD2  LYS 124           HD2      LYS 124 -13.723  13.042   4.285
  951    HD3  LYS 124           HD3      LYS 124 -14.565  13.108   5.856
  952    HE2  LYS 124           HE2      LYS 124 -12.909  14.765   6.677
  953    HE3  LYS 124           HE3      LYS 124 -12.068  14.704   5.126
  954    HZ1  LYS 124           HZ1      LYS 124 -13.578  16.592   5.238
  955    HZ2  LYS 124           HZ2      LYS 124 -14.086  15.569   4.070
  956    HZ3  LYS 124           HZ3      LYS 124 -14.867  15.624   5.508
  957    H    SER 125           H        SER 125 -15.152   7.926   7.230
  958    HA   SER 125           HA       SER 125 -15.325   6.380   4.943
  959    HB2  SER 125           HB2      SER 125 -16.787   4.886   6.185
  960    HB3  SER 125           HB3      SER 125 -15.519   5.509   7.271
  961    HG   SER 125           HG       SER 125 -17.848   6.979   6.884
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  12.059 -17.332  -0.718
    2    H2   MET   1           H2       MET   1  12.948 -17.788  -2.014
    3    H3   MET   1           H3       MET   1  12.938 -16.228  -1.552
    4    HA   MET   1           HA       MET   1  11.596 -16.502  -3.520
    5    HB2  MET   1           HB2      MET   1  10.008 -18.462  -1.806
    6    HB3  MET   1           HB3      MET   1   9.398 -17.715  -3.289
    7    HG2  MET   1           HG2      MET   1  11.263 -18.700  -4.577
    8    HG3  MET   1           HG3      MET   1  11.893 -19.440  -3.105
    9    HE1  MET   1           HE1      MET   1   8.089 -20.787  -5.388
   10    HE2  MET   1           HE2      MET   1   8.132 -19.209  -4.583
   11    HE3  MET   1           HE3      MET   1   9.234 -19.544  -5.938
   12    H    ALA   2           H        ALA   2   9.259 -16.646  -0.774
   13    HA   ALA   2           HA       ALA   2   8.380 -13.932  -1.350
   14    HB1  ALA   2           HB1      ALA   2   6.757 -14.407   0.447
   15    HB2  ALA   2           HB2      ALA   2   6.830 -15.752  -0.704
   16    HB3  ALA   2           HB3      ALA   2   7.639 -15.885   0.877
   17    H    SER   3           H        SER   3   8.125 -12.292   0.397
   18    HA   SER   3           HA       SER   3  10.638 -11.561   1.525
   19    HB2  SER   3           HB2      SER   3   7.866 -10.472   2.157
   20    HB3  SER   3           HB3      SER   3   9.406  -9.681   2.525
   21    HG   SER   3           HG       SER   3   8.480  -8.899   0.571
   22    HA   PRO   4           HA       PRO   4  10.472 -13.628   5.458
   23    HB2  PRO   4           HB2      PRO   4  12.356 -12.299   6.901
   24    HB3  PRO   4           HB3      PRO   4  12.768 -13.267   5.453
   25    HG2  PRO   4           HG2      PRO   4  12.323 -10.269   5.612
   26    HG3  PRO   4           HG3      PRO   4  13.702 -11.144   4.875
   27    HD2  PRO   4           HD2      PRO   4  11.587 -10.281   3.385
   28    HD3  PRO   4           HD3      PRO   4  12.411 -11.830   3.027
   29    H    HIS   5           H        HIS   5   9.590 -10.219   5.289
   30    HA   HIS   5           HA       HIS   5   7.796 -10.443   7.571
   31    HB2  HIS   5           HB2      HIS   5  10.081  -9.923   8.564
   32    HB3  HIS   5           HB3      HIS   5  10.082  -8.420   7.652
   33    HD1  HIS   5           HD1      HIS   5   9.056  -6.417   9.012
   34    HD2  HIS   5           HD2      HIS   5   7.834 -10.225  10.315
   35    HE1  HIS   5           HE1      HIS   5   7.593  -6.033  11.059
   36    H    GLN   6           H        GLN   6   6.565  -8.297   7.862
   37    HA   GLN   6           HA       GLN   6   6.424  -6.522   5.527
   38    HB2  GLN   6           HB2      GLN   6   5.142  -8.440   4.737
   39    HB3  GLN   6           HB3      GLN   6   4.240  -8.526   6.247
   40    HG2  GLN   6           HG2      GLN   6   3.126  -6.384   5.741
   41    HG3  GLN   6           HG3      GLN   6   4.122  -6.189   4.286
   42   HE21  GLN   6          HE22      GLN   6   1.989  -8.822   5.721
   43   HE22  GLN   6          HE21      GLN   6   1.154  -9.073   4.195
   44    H    GLU   7           H        GLU   7   5.644  -4.514   6.150
   45    HA   GLU   7           HA       GLU   7   4.961  -4.207   9.054
   46    HB2  GLU   7           HB2      GLU   7   6.630  -2.491   7.201
   47    HB3  GLU   7           HB3      GLU   7   6.080  -1.978   8.798
   48    HG2  GLU   7           HG2      GLU   7   7.277  -3.831   9.864
   49    HG3  GLU   7           HG3      GLU   7   7.787  -4.453   8.291
   50    HA   PRO   8           HA       PRO   8   1.291  -2.118   7.269
   51    HB2  PRO   8           HB2      PRO   8   0.467  -2.233  10.142
   52    HB3  PRO   8           HB3      PRO   8  -0.463  -2.675   8.695
   53    HG2  PRO   8           HG2      PRO   8   0.564  -4.584  10.345
   54    HG3  PRO   8           HG3      PRO   8   0.566  -4.809   8.563
   55    HD2  PRO   8           HD2      PRO   8   2.830  -3.856  10.348
   56    HD3  PRO   8           HD3      PRO   8   2.860  -5.074   9.038
   57    H    LYS   9           H        LYS   9   0.458   0.060   7.697
   58    HA   LYS   9           HA       LYS   9   2.469   1.789   9.060
   59    HB2  LYS   9           HB2      LYS   9   0.625   2.129   6.706
   60    HB3  LYS   9           HB3      LYS   9   1.051   3.556   7.635
   61    HG2  LYS   9           HG2      LYS   9   2.517   3.094   5.643
   62    HG3  LYS   9           HG3      LYS   9   3.362   3.362   7.172
   63    HD2  LYS   9           HD2      LYS   9   3.836   1.016   7.447
   64    HD3  LYS   9           HD3      LYS   9   2.779   0.584   6.085
   65    HE2  LYS   9           HE2      LYS   9   4.263   1.832   4.528
   66    HE3  LYS   9           HE3      LYS   9   5.322   2.274   5.877
   67    HZ1  LYS   9           HZ1      LYS   9   6.133   0.319   4.646
   68    HZ2  LYS   9           HZ2      LYS   9   5.807  -0.073   6.202
   69    HZ3  LYS   9           HZ3      LYS   9   4.775  -0.520   5.011
   70    HA   PRO  10           HA       PRO  10  -0.291   2.523  12.279
   71    HB2  PRO  10           HB2      PRO  10   0.632   4.794  13.464
   72    HB3  PRO  10           HB3      PRO  10   1.567   3.257  13.465
   73    HG2  PRO  10           HG2      PRO  10   1.842   5.582  11.528
   74    HG3  PRO  10           HG3      PRO  10   3.136   4.750  12.454
   75    HD2  PRO  10           HD2      PRO  10   2.586   4.072   9.878
   76    HD3  PRO  10           HD3      PRO  10   2.998   2.819  11.090
   77    H    GLY  11           H        GLY  11  -2.283   3.202  12.467
   78    HA2  GLY  11           HA2      GLY  11  -4.203   4.501  12.172
   79    HA3  GLY  11           HA3      GLY  11  -3.300   5.641  11.148
   80    H    ASP  12           H        ASP  12  -2.741   2.450  10.068
   81    HA   ASP  12           HA       ASP  12  -4.904   2.759   8.049
   82    HB2  ASP  12           HB2      ASP  12  -2.282   3.034   7.505
   83    HB3  ASP  12           HB3      ASP  12  -2.428   1.292   7.270
   84    H    LEU  13           H        LEU  13  -5.543   0.886   6.890
   85    HA   LEU  13           HA       LEU  13  -6.469  -1.097   8.872
   86    HB2  LEU  13           HB2      LEU  13  -7.480  -0.455   6.078
   87    HB3  LEU  13           HB3      LEU  13  -8.301  -1.452   7.275
   88    HG   LEU  13           HG       LEU  13  -7.668   1.505   7.575
   89   HD11  LEU  13          HD11      LEU  13 -10.270   0.078   6.867
   90   HD12  LEU  13          HD12      LEU  13 -10.149   1.794   7.322
   91   HD13  LEU  13          HD13      LEU  13  -9.349   1.219   5.861
   92   HD21  LEU  13          HD21      LEU  13  -9.264   1.364   9.531
   93   HD22  LEU  13          HD22      LEU  13  -9.342  -0.399   9.293
   94   HD23  LEU  13          HD23      LEU  13  -7.824   0.360   9.773
   95    H    ILE  14           H        ILE  14  -6.059  -3.119   8.883
   96    HA   ILE  14           HA       ILE  14  -4.373  -4.347   6.739
   97    HB   ILE  14           HB       ILE  14  -4.634  -5.472   9.521
   98   HG12  ILE  14          HG12      ILE  14  -2.650  -3.252   8.928
   99   HG13  ILE  14          HG13      ILE  14  -4.073  -3.084   9.954
  100   HG21  ILE  14          HG21      ILE  14  -3.487  -6.696   7.642
  101   HG22  ILE  14          HG22      ILE  14  -2.280  -5.394   7.583
  102   HG23  ILE  14          HG23      ILE  14  -2.437  -6.415   9.025
  103   HD11  ILE  14          HD11      ILE  14  -3.240  -4.852  11.466
  104   HD12  ILE  14          HD12      ILE  14  -1.728  -4.903  10.528
  105   HD13  ILE  14          HD13      ILE  14  -2.194  -3.422  11.376
  106    H    GLU  15           H        GLU  15  -5.239  -6.002   5.617
  107    HA   GLU  15           HA       GLU  15  -7.688  -7.415   6.587
  108    HB2  GLU  15           HB2      GLU  15  -6.217  -7.419   3.908
  109    HB3  GLU  15           HB3      GLU  15  -7.569  -8.476   4.318
  110    HG2  GLU  15           HG2      GLU  15  -8.964  -6.412   4.768
  111    HG3  GLU  15           HG3      GLU  15  -7.621  -5.446   4.130
  112    H    ILE  16           H        ILE  16  -7.318  -9.252   7.729
  113    HA   ILE  16           HA       ILE  16  -4.731 -10.753   7.353
  114    HB   ILE  16           HB       ILE  16  -6.371 -10.334   9.893
  115   HG12  ILE  16          HG12      ILE  16  -3.622  -9.231   9.139
  116   HG13  ILE  16          HG13      ILE  16  -5.113  -8.295   9.198
  117   HG21  ILE  16          HG21      ILE  16  -3.719 -11.801   9.463
  118   HG22  ILE  16          HG22      ILE  16  -4.533 -11.557  11.027
  119   HG23  ILE  16          HG23      ILE  16  -5.271 -12.575   9.811
  120   HD11  ILE  16          HD11      ILE  16  -3.702  -9.555  11.569
  121   HD12  ILE  16          HD12      ILE  16  -3.858  -7.845  11.186
  122   HD13  ILE  16          HD13      ILE  16  -5.302  -8.784  11.640
  123    H    PHE  17           H        PHE  17  -4.920 -12.779   6.699
  124    HA   PHE  17           HA       PHE  17  -7.538 -13.991   6.299
  125    HB2  PHE  17           HB2      PHE  17  -5.644 -13.947   4.644
  126    HB3  PHE  17           HB3      PHE  17  -4.748 -15.040   5.684
  127    HD1  PHE  17           HD2      PHE  17  -8.107 -14.723   3.996
  128    HD2  PHE  17           HD1      PHE  17  -4.927 -17.369   5.207
  129    HE1  PHE  17           HE2      PHE  17  -9.215 -16.593   2.805
  130    HE2  PHE  17           HE1      PHE  17  -6.040 -19.243   4.021
  131    HZ   PHE  17           HZ       PHE  17  -8.180 -18.861   2.806
  132    H    ARG  18           H        ARG  18  -7.537 -13.757   8.883
  133    HA   ARG  18           HA       ARG  18  -6.072 -15.504  10.510
  134    HB2  ARG  18           HB2      ARG  18  -7.930 -13.435  10.850
  135    HB3  ARG  18           HB3      ARG  18  -8.682 -14.790  11.668
  136    HG2  ARG  18           HG2      ARG  18  -5.805 -13.882  12.122
  137    HG3  ARG  18           HG3      ARG  18  -7.177 -13.305  13.071
  138    HD2  ARG  18           HD2      ARG  18  -7.634 -15.560  13.886
  139    HD3  ARG  18           HD3      ARG  18  -6.285 -16.211  12.926
  140    HE   ARG  18           HE       ARG  18  -5.031 -14.304  14.366
  141   HH11  ARG  18          HH11      ARG  18  -7.186 -16.892  15.513
  142   HH12  ARG  18          HH12      ARG  18  -6.329 -17.047  17.014
  143   HH21  ARG  18          HH21      ARG  18  -3.920 -14.640  16.319
  144   HH22  ARG  18          HH22      ARG  18  -4.561 -15.758  17.474
  145    H    LEU  19           H        LEU  19  -8.926 -16.371   8.728
  146    HA   LEU  19           HA       LEU  19  -9.078 -19.042   9.994
  147    HB2  LEU  19           HB2      LEU  19 -11.375 -18.580  10.884
  148    HB3  LEU  19           HB3      LEU  19 -10.043 -17.770  11.676
  149    HG   LEU  19           HG       LEU  19 -10.598 -15.637  10.589
  150   HD11  LEU  19          HD11      LEU  19 -12.777 -15.334   9.466
  151   HD12  LEU  19          HD12      LEU  19 -11.683 -16.359   8.533
  152   HD13  LEU  19          HD13      LEU  19 -13.020 -17.095   9.454
  153   HD21  LEU  19          HD21      LEU  19 -12.618 -15.190  11.897
  154   HD22  LEU  19          HD22      LEU  19 -12.934 -16.936  12.049
  155   HD23  LEU  19          HD23      LEU  19 -11.498 -16.219  12.809
  156    H    GLY  20           H        GLY  20  -8.698 -18.231   7.223
  157    HA2  GLY  20           HA2      GLY  20  -9.375 -19.182   5.196
  158    HA3  GLY  20           HA3      GLY  20 -10.884 -19.755   5.946
  159    H    TYR  21           H        TYR  21 -10.425 -16.524   6.654
  160    HA   TYR  21           HA       TYR  21 -11.565 -15.320   4.226
  161    HB2  TYR  21           HB2      TYR  21 -13.534 -16.079   5.525
  162    HB3  TYR  21           HB3      TYR  21 -12.918 -15.267   6.956
  163    HD1  TYR  21           HD1      TYR  21 -13.905 -14.511   3.402
  164    HD2  TYR  21           HD2      TYR  21 -13.709 -13.129   7.483
  165    HE1  TYR  21           HE1      TYR  21 -15.152 -12.459   2.761
  166    HE2  TYR  21           HE2      TYR  21 -14.967 -11.074   6.848
  167    HH   TYR  21           HH       TYR  21 -16.060 -10.483   3.488
  168    H    GLU  22           H        GLU  22 -11.197 -13.035   4.169
  169    HA   GLU  22           HA       GLU  22  -8.920 -12.142   5.815
  170    HB2  GLU  22           HB2      GLU  22 -10.332 -10.909   3.425
  171    HB3  GLU  22           HB3      GLU  22  -8.986 -10.167   4.305
  172    HG2  GLU  22           HG2      GLU  22  -7.571 -12.158   3.810
  173    HG3  GLU  22           HG3      GLU  22  -8.906 -12.863   2.885
  174    H    HIS  23           H        HIS  23  -9.376 -11.391   7.781
  175    HA   HIS  23           HA       HIS  23 -11.816  -9.713   8.215
  176    HB2  HIS  23           HB2      HIS  23 -11.268 -12.030   9.453
  177    HB3  HIS  23           HB3      HIS  23 -10.278 -10.986  10.468
  178    HD1  HIS  23           HD1      HIS  23 -11.742 -10.188  12.555
  179    HD2  HIS  23           HD2      HIS  23 -13.956 -10.979   9.059
  180    HE1  HIS  23           HE1      HIS  23 -14.182  -9.867  13.153
  181    H    TRP  24           H        TRP  24 -11.611  -7.839   9.650
  182    HA   TRP  24           HA       TRP  24  -9.234  -6.373   8.840
  183    HB2  TRP  24           HB2      TRP  24 -11.810  -5.575  10.214
  184    HB3  TRP  24           HB3      TRP  24 -10.500  -4.456   9.894
  185    HD1  TRP  24           HD1      TRP  24 -13.580  -5.498   8.433
  186    HE1  TRP  24           HE1      TRP  24 -13.808  -4.849   5.983
  187    HE3  TRP  24           HE3      TRP  24  -8.742  -4.172   7.560
  188    HZ2  TRP  24           HZ2      TRP  24 -12.095  -3.804   3.891
  189    HZ3  TRP  24           HZ3      TRP  24  -8.075  -3.276   5.354
  190    HH2  TRP  24           HH2      TRP  24  -9.736  -3.103   3.503
  191    H    ALA  25           H        ALA  25  -7.826  -5.235   9.934
  192    HA   ALA  25           HA       ALA  25  -7.992  -4.810  12.835
  193    HB1  ALA  25           HB1      ALA  25  -5.641  -5.524  13.181
  194    HB2  ALA  25           HB2      ALA  25  -6.636  -6.874  12.605
  195    HB3  ALA  25           HB3      ALA  25  -5.545  -6.039  11.481
  196    H    LEU  26           H        LEU  26  -6.331  -3.176  13.519
  197    HA   LEU  26           HA       LEU  26  -5.559  -1.184  11.427
  198    HB2  LEU  26           HB2      LEU  26  -7.771  -0.585  12.128
  199    HB3  LEU  26           HB3      LEU  26  -7.393  -0.831  13.830
  200    HG   LEU  26           HG       LEU  26  -6.197   1.162  14.032
  201   HD11  LEU  26          HD11      LEU  26  -4.822   1.280  11.981
  202   HD12  LEU  26          HD12      LEU  26  -6.287   1.497  10.992
  203   HD13  LEU  26          HD13      LEU  26  -5.772   2.748  12.135
  204   HD21  LEU  26          HD21      LEU  26  -8.580   1.473  13.985
  205   HD22  LEU  26          HD22      LEU  26  -7.825   2.875  13.229
  206   HD23  LEU  26          HD23      LEU  26  -8.574   1.621  12.206
  207    H    TYR  27           H        TYR  27  -3.514  -0.612  11.717
  208    HA   TYR  27           HA       TYR  27  -1.978  -1.443  14.053
  209    HB2  TYR  27           HB2      TYR  27  -1.377  -1.283  11.502
  210    HB3  TYR  27           HB3      TYR  27  -1.054   0.388  11.843
  211    HD1  TYR  27           HD2      TYR  27  -0.106  -3.121  12.709
  212    HD2  TYR  27           HD1      TYR  27   1.103   1.009  12.741
  213    HE1  TYR  27           HE2      TYR  27   2.261  -3.812  12.974
  214    HE2  TYR  27           HE1      TYR  27   3.470   0.328  12.955
  215    HH   TYR  27           HH       TYR  27   4.470  -3.109  12.973
  216    H    ILE  28           H        ILE  28  -1.912  -0.356  15.921
  217    HA   ILE  28           HA       ILE  28  -2.511   2.603  15.961
  218    HB   ILE  28           HB       ILE  28  -3.114   2.253  18.314
  219   HG12  ILE  28          HG12      ILE  28  -3.153  -0.747  17.884
  220   HG13  ILE  28          HG13      ILE  28  -1.705   0.036  18.511
  221   HG21  ILE  28          HG21      ILE  28  -4.715   0.421  16.480
  222   HG22  ILE  28          HG22      ILE  28  -5.277   1.380  17.869
  223   HG23  ILE  28          HG23      ILE  28  -4.762   2.194  16.399
  224   HD11  ILE  28          HD11      ILE  28  -3.124  -0.817  20.323
  225   HD12  ILE  28          HD12      ILE  28  -2.921   0.943  20.416
  226   HD13  ILE  28          HD13      ILE  28  -4.444   0.253  19.816
  227    H    GLY  29           H        GLY  29   0.064   0.437  16.485
  228    HA2  GLY  29           HA2      GLY  29   1.915   2.538  17.243
  229    HA3  GLY  29           HA3      GLY  29   1.610   1.397  18.554
  230    H    ASP  30           H        ASP  30   4.115   1.298  17.839
  231    HA   ASP  30           HA       ASP  30   4.754  -0.067  15.451
  232    HB2  ASP  30           HB2      ASP  30   6.315   1.384  16.642
  233    HB3  ASP  30           HB3      ASP  30   6.349   0.284  18.022
  234    H    GLY  31           H        GLY  31   3.612  -1.912  15.189
  235    HA2  GLY  31           HA2      GLY  31   3.435  -4.249  15.113
  236    HA3  GLY  31           HA3      GLY  31   4.399  -4.391  16.596
  237    H    TYR  32           H        TYR  32   1.973  -2.080  17.076
  238    HA   TYR  32           HA       TYR  32   0.283  -4.059  18.560
  239    HB2  TYR  32           HB2      TYR  32   0.642  -1.059  18.884
  240    HB3  TYR  32           HB3      TYR  32  -0.514  -2.031  19.779
  241    HD1  TYR  32           HD1      TYR  32   0.275  -3.849  21.337
  242    HD2  TYR  32           HD2      TYR  32   2.986  -1.015  19.537
  243    HE1  TYR  32           HE1      TYR  32   1.996  -4.413  23.037
  244    HE2  TYR  32           HE2      TYR  32   4.701  -1.558  21.242
  245    HH   TYR  32           HH       TYR  32   5.219  -2.838  23.090
  246    H    VAL  33           H        VAL  33  -1.880  -4.332  18.093
  247    HA   VAL  33           HA       VAL  33  -3.098  -2.585  16.002
  248    HB   VAL  33           HB       VAL  33  -4.043  -4.602  14.894
  249   HG11  VAL  33          HG11      VAL  33  -2.112  -3.547  13.890
  250   HG12  VAL  33          HG12      VAL  33  -1.004  -4.508  14.900
  251   HG13  VAL  33          HG13      VAL  33  -2.027  -5.293  13.679
  252   HG21  VAL  33          HG21      VAL  33  -3.783  -6.251  16.765
  253   HG22  VAL  33          HG22      VAL  33  -3.112  -6.817  15.228
  254   HG23  VAL  33          HG23      VAL  33  -2.031  -6.230  16.498
  255    H    ILE  34           H        ILE  34  -5.291  -2.502  15.890
  256    HA   ILE  34           HA       ILE  34  -6.906  -3.729  18.121
  257    HB   ILE  34           HB       ILE  34  -7.314  -1.158  16.528
  258   HG12  ILE  34          HG12      ILE  34  -6.863  -1.886  19.450
  259   HG13  ILE  34          HG13      ILE  34  -5.765  -1.015  18.387
  260   HG21  ILE  34          HG21      ILE  34  -9.514  -2.335  16.714
  261   HG22  ILE  34          HG22      ILE  34  -9.276  -2.479  18.472
  262   HG23  ILE  34          HG23      ILE  34  -9.471  -0.890  17.700
  263   HD11  ILE  34          HD11      ILE  34  -6.782   0.487  19.987
  264   HD12  ILE  34          HD12      ILE  34  -7.360   0.888  18.356
  265   HD13  ILE  34          HD13      ILE  34  -8.400  -0.001  19.479
  266    H    HIS  35           H        HIS  35  -8.694  -4.988  17.510
  267    HA   HIS  35           HA       HIS  35  -9.146  -5.557  14.644
  268    HB2  HIS  35           HB2      HIS  35  -8.391  -7.930  14.944
  269    HB3  HIS  35           HB3      HIS  35  -7.080  -6.760  15.044
  270    HD1  HIS  35           HD1      HIS  35  -8.619  -9.522  17.088
  271    HD2  HIS  35           HD2      HIS  35  -6.152  -6.163  17.615
  272    HE1  HIS  35           HE1      HIS  35  -7.517  -9.785  19.375
  273    H    LEU  36           H        LEU  36 -10.919  -6.976  14.255
  274    HA   LEU  36           HA       LEU  36 -12.854  -7.086  16.511
  275    HB2  LEU  36           HB2      LEU  36 -13.432  -5.948  14.364
  276    HB3  LEU  36           HB3      LEU  36 -13.191  -7.467  13.506
  277    HG   LEU  36           HG       LEU  36 -15.085  -8.451  14.892
  278   HD11  LEU  36          HD11      LEU  36 -15.435  -5.537  15.732
  279   HD12  LEU  36          HD12      LEU  36 -16.630  -6.825  15.998
  280   HD13  LEU  36          HD13      LEU  36 -15.063  -6.897  16.809
  281   HD21  LEU  36          HD21      LEU  36 -15.409  -7.609  12.592
  282   HD22  LEU  36          HD22      LEU  36 -16.838  -7.308  13.593
  283   HD23  LEU  36          HD23      LEU  36 -15.725  -5.979  13.228
  284    H    ALA  37           H        ALA  37 -13.210  -8.948  17.547
  285    HA   ALA  37           HA       ALA  37 -12.375 -11.549  16.404
  286    HB1  ALA  37           HB1      ALA  37 -13.033 -12.405  18.642
  287    HB2  ALA  37           HB2      ALA  37 -11.857 -11.077  18.758
  288    HB3  ALA  37           HB3      ALA  37 -13.577 -10.781  19.103
  289    HA   PRO  38           HA       PRO  38 -16.439 -11.953  14.698
  290    HB2  PRO  38           HB2      PRO  38 -16.508 -14.607  13.978
  291    HB3  PRO  38           HB3      PRO  38 -15.411 -13.419  13.209
  292    HG2  PRO  38           HG2      PRO  38 -14.792 -15.310  15.513
  293    HG3  PRO  38           HG3      PRO  38 -13.874 -15.097  13.989
  294    HD2  PRO  38           HD2      PRO  38 -13.156 -13.806  16.263
  295    HD3  PRO  38           HD3      PRO  38 -13.052 -12.989  14.670
  296    HA   PRO  39           HA       PRO  39 -19.478 -13.370  17.585
  297    HB2  PRO  39           HB2      PRO  39 -20.847 -14.903  15.376
  298    HB3  PRO  39           HB3      PRO  39 -21.547 -13.737  16.544
  299    HG2  PRO  39           HG2      PRO  39 -21.022 -12.961  14.007
  300    HG3  PRO  39           HG3      PRO  39 -20.589 -11.882  15.374
  301    HD2  PRO  39           HD2      PRO  39 -18.800 -13.783  13.831
  302    HD3  PRO  39           HD3      PRO  39 -18.511 -12.081  14.285
  303    H    SER  40           H        SER  40 -18.073 -15.985  15.626
  304    HA   SER  40           HA       SER  40 -18.939 -18.068  17.560
  305    HB2  SER  40           HB2      SER  40 -17.492 -18.384  14.910
  306    HB3  SER  40           HB3      SER  40 -18.249 -19.654  15.884
  307    HG   SER  40           HG       SER  40 -20.273 -18.554  15.537
  308    H    GLU  41           H        GLU  41 -17.507 -19.503  18.588
  309    HA   GLU  41           HA       GLU  41 -14.934 -18.542  19.405
  310    HB2  GLU  41           HB2      GLU  41 -16.373 -21.204  19.591
  311    HB3  GLU  41           HB3      GLU  41 -14.706 -21.048  20.129
  312    HG2  GLU  41           HG2      GLU  41 -16.929 -19.243  21.164
  313    HG3  GLU  41           HG3      GLU  41 -16.463 -20.760  21.923
  314    H    TYR  42           H        TYR  42 -12.905 -18.880  18.704
  315    HA   TYR  42           HA       TYR  42 -12.447 -19.277  16.027
  316    HB2  TYR  42           HB2      TYR  42 -11.009 -18.029  17.558
  317    HB3  TYR  42           HB3      TYR  42 -10.420 -19.515  18.270
  318    HD1  TYR  42           HD2      TYR  42 -10.477 -17.428  15.207
  319    HD2  TYR  42           HD1      TYR  42  -8.724 -20.870  17.123
  320    HE1  TYR  42           HE2      TYR  42  -8.768 -17.553  13.415
  321    HE2  TYR  42           HE1      TYR  42  -7.012 -21.004  15.321
  322    HH   TYR  42           HH       TYR  42  -7.011 -18.732  12.530
  323    HA   PRO  43           HA       PRO  43 -11.007 -23.785  16.362
  324    HB2  PRO  43           HB2      PRO  43 -11.259 -25.282  18.607
  325    HB3  PRO  43           HB3      PRO  43  -9.959 -24.065  18.436
  326    HG2  PRO  43           HG2      PRO  43 -12.652 -23.721  19.812
  327    HG3  PRO  43           HG3      PRO  43 -11.021 -23.365  20.475
  328    HD2  PRO  43           HD2      PRO  43 -12.576 -21.443  19.309
  329    HD3  PRO  43           HD3      PRO  43 -10.800 -21.431  19.139
  330    H    GLY  44           H        GLY  44 -14.112 -22.601  17.060
  331    HA2  GLY  44           HA2      GLY  44 -16.234 -23.409  16.578
  332    HA3  GLY  44           HA3      GLY  44 -15.512 -24.922  15.983
  333    H    ALA  45           H        ALA  45 -16.173 -26.618  17.136
  334    HA   ALA  45           HA       ALA  45 -17.146 -26.429  19.893
  335    HB1  ALA  45           HB1      ALA  45 -16.854 -28.809  18.014
  336    HB2  ALA  45           HB2      ALA  45 -17.763 -28.770  19.542
  337    HB3  ALA  45           HB3      ALA  45 -18.297 -27.784  18.169
  338    H    GLY  46           H        GLY  46 -14.736 -25.551  20.245
  339    HA2  GLY  46           HA2      GLY  46 -12.787 -27.633  20.992
  340    HA3  GLY  46           HA3      GLY  46 -12.675 -25.892  21.332
  341    H    SER  47           H        SER  47 -13.527 -28.971  22.569
  342    HA   SER  47           HA       SER  47 -15.491 -28.547  24.409
  343    HB2  SER  47           HB2      SER  47 -13.098 -30.370  24.839
  344    HB3  SER  47           HB3      SER  47 -14.725 -30.558  25.521
  345    HG   SER  47           HG       SER  47 -14.389 -31.879  23.665
  346    H    SER  48           H        SER  48 -12.067 -27.674  24.981
  347    HA   SER  48           HA       SER  48 -12.296 -27.168  27.791
  348    HB2  SER  48           HB2      SER  48 -10.485 -25.760  25.798
  349    HB3  SER  48           HB3      SER  48 -10.231 -25.934  27.542
  350    HG   SER  48           HG       SER  48  -9.001 -27.459  26.359
  351    H    SER  49           H        SER  49 -13.502 -25.331  25.089
  352    HA   SER  49           HA       SER  49 -14.160 -22.995  26.879
  353    HB2  SER  49           HB2      SER  49 -12.687 -22.460  24.942
  354    HB3  SER  49           HB3      SER  49 -13.949 -23.041  23.844
  355    HG   SER  49           HG       SER  49 -14.221 -20.832  24.044
  356    H    VAL  50           H        VAL  50 -15.536 -25.032  24.184
  357    HA   VAL  50           HA       VAL  50 -18.284 -24.550  25.175
  358    HB   VAL  50           HB       VAL  50 -19.047 -23.791  22.929
  359   HG11  VAL  50          HG11      VAL  50 -17.121 -21.798  24.164
  360   HG12  VAL  50          HG12      VAL  50 -18.538 -21.457  23.153
  361   HG13  VAL  50          HG13      VAL  50 -18.759 -22.159  24.764
  362   HG21  VAL  50          HG21      VAL  50 -17.514 -22.837  21.306
  363   HG22  VAL  50          HG22      VAL  50 -16.113 -23.268  22.310
  364   HG23  VAL  50          HG23      VAL  50 -17.124 -24.536  21.580
  365    H    PHE  51           H        PHE  51 -19.910 -25.707  24.068
  366    HA   PHE  51           HA       PHE  51 -19.369 -27.502  21.925
  367    HB2  PHE  51           HB2      PHE  51 -19.879 -29.647  23.055
  368    HB3  PHE  51           HB3      PHE  51 -18.367 -28.953  23.587
  369    HD1  PHE  51           HD2      PHE  51 -18.089 -28.074  25.882
  370    HD2  PHE  51           HD1      PHE  51 -21.808 -29.849  24.593
  371    HE1  PHE  51           HE2      PHE  51 -18.829 -28.245  28.242
  372    HE2  PHE  51           HE1      PHE  51 -22.543 -30.008  26.961
  373    HZ   PHE  51           HZ       PHE  51 -21.059 -29.203  28.789
  374    H    SER  52           H        SER  52 -21.614 -26.662  24.570
  375    HA   SER  52           HA       SER  52 -23.964 -27.700  23.271
  376    HB2  SER  52           HB2      SER  52 -25.146 -26.481  25.090
  377    HB3  SER  52           HB3      SER  52 -23.816 -27.499  25.673
  378    HG   SER  52           HG       SER  52 -23.810 -25.405  26.638
  379    H    VAL  53           H        VAL  53 -22.536 -24.472  23.331
  380    HA   VAL  53           HA       VAL  53 -23.883 -23.801  20.830
  381    HB   VAL  53           HB       VAL  53 -25.513 -22.942  22.457
  382   HG11  VAL  53          HG11      VAL  53 -24.015 -22.430  24.378
  383   HG12  VAL  53          HG12      VAL  53 -23.362 -21.042  23.475
  384   HG13  VAL  53          HG13      VAL  53 -25.068 -21.079  23.941
  385   HG21  VAL  53          HG21      VAL  53 -24.049 -20.690  21.036
  386   HG22  VAL  53          HG22      VAL  53 -25.202 -21.810  20.279
  387   HG23  VAL  53          HG23      VAL  53 -25.743 -20.700  21.550
  388    H    LEU  54           H        LEU  54 -22.558 -22.665  19.512
  389    HA   LEU  54           HA       LEU  54 -19.781 -22.304  20.506
  390    HB2  LEU  54           HB2      LEU  54 -20.824 -22.482  17.654
  391    HB3  LEU  54           HB3      LEU  54 -19.160 -22.643  18.197
  392    HG   LEU  54           HG       LEU  54 -21.443 -24.610  18.673
  393   HD11  LEU  54          HD11      LEU  54 -18.842 -24.830  17.098
  394   HD12  LEU  54          HD12      LEU  54 -20.084 -26.093  17.270
  395   HD13  LEU  54          HD13      LEU  54 -20.462 -24.593  16.404
  396   HD21  LEU  54          HD21      LEU  54 -19.701 -26.087  19.702
  397   HD22  LEU  54          HD22      LEU  54 -18.575 -24.708  19.684
  398   HD23  LEU  54          HD23      LEU  54 -20.039 -24.657  20.682
  399    H    SER  55           H        SER  55 -22.285 -20.153  19.958
  400    HA   SER  55           HA       SER  55 -20.431 -17.940  19.231
  401    HB2  SER  55           HB2      SER  55 -23.090 -18.422  17.828
  402    HB3  SER  55           HB3      SER  55 -21.939 -17.123  17.500
  403    HG   SER  55           HG       SER  55 -21.702 -19.892  16.952
  404    H    ASN  56           H        ASN  56 -21.309 -15.796  19.511
  405    HA   ASN  56           HA       ASN  56 -23.766 -15.474  21.134
  406    HB2  ASN  56           HB2      ASN  56 -21.987 -15.920  22.809
  407    HB3  ASN  56           HB3      ASN  56 -21.022 -14.600  22.129
  408   HD21  ASN  56          HD22      ASN  56 -23.931 -15.378  24.047
  409   HD22  ASN  56          HD21      ASN  56 -24.182 -13.731  24.607
  410    H    SER  57           H        SER  57 -20.842 -13.503  20.319
  411    HA   SER  57           HA       SER  57 -22.152 -11.775  18.464
  412    HB2  SER  57           HB2      SER  57 -22.132  -9.707  19.817
  413    HB3  SER  57           HB3      SER  57 -23.325 -10.874  20.384
  414    HG   SER  57           HG       SER  57 -22.012 -11.401  22.119
  415    H    ALA  58           H        ALA  58 -20.611  -9.979  17.755
  416    HA   ALA  58           HA       ALA  58 -17.831 -10.931  17.837
  417    HB1  ALA  58           HB1      ALA  58 -19.145  -8.535  16.479
  418    HB2  ALA  58           HB2      ALA  58 -17.484  -9.079  16.217
  419    HB3  ALA  58           HB3      ALA  58 -18.837 -10.111  15.724
  420    H    GLU  59           H        GLU  59 -16.042  -9.445  18.404
  421    HA   GLU  59           HA       GLU  59 -16.714  -7.380  20.442
  422    HB2  GLU  59           HB2      GLU  59 -16.509  -9.561  21.620
  423    HB3  GLU  59           HB3      GLU  59 -14.855  -9.724  21.011
  424    HG2  GLU  59           HG2      GLU  59 -14.188  -7.684  22.223
  425    HG3  GLU  59           HG3      GLU  59 -15.846  -7.449  22.783
  426    H    VAL  60           H        VAL  60 -15.356  -5.665  20.405
  427    HA   VAL  60           HA       VAL  60 -13.082  -5.658  18.498
  428    HB   VAL  60           HB       VAL  60 -14.165  -3.453  20.277
  429   HG11  VAL  60          HG11      VAL  60 -12.805  -1.948  18.764
  430   HG12  VAL  60          HG12      VAL  60 -11.794  -3.023  19.729
  431   HG13  VAL  60          HG13      VAL  60 -12.095  -3.396  18.023
  432   HG21  VAL  60          HG21      VAL  60 -15.080  -2.515  18.161
  433   HG22  VAL  60          HG22      VAL  60 -14.532  -3.961  17.289
  434   HG23  VAL  60          HG23      VAL  60 -15.795  -4.083  18.534
  435    H    LYS  61           H        LYS  61 -11.048  -6.025  19.074
  436    HA   LYS  61           HA       LYS  61 -10.189  -5.940  21.943
  437    HB2  LYS  61           HB2      LYS  61  -9.760  -8.196  19.931
  438    HB3  LYS  61           HB3      LYS  61  -9.105  -8.142  21.576
  439    HG2  LYS  61           HG2      LYS  61 -11.518  -8.020  22.418
  440    HG3  LYS  61           HG3      LYS  61 -12.036  -8.306  20.754
  441    HD2  LYS  61           HD2      LYS  61 -12.142 -10.401  21.790
  442    HD3  LYS  61           HD3      LYS  61 -10.676 -10.456  20.791
  443    HE2  LYS  61           HE2      LYS  61  -9.290  -9.958  22.806
  444    HE3  LYS  61           HE3      LYS  61 -10.760  -9.839  23.787
  445    HZ1  LYS  61           HZ1      LYS  61 -11.193 -12.182  23.324
  446    HZ2  LYS  61           HZ2      LYS  61  -9.836 -12.305  22.407
  447    HZ3  LYS  61           HZ3      LYS  61  -9.728 -12.013  24.013
  448    H    ARG  62           H        ARG  62  -7.715  -6.379  22.064
  449    HA   ARG  62           HA       ARG  62  -6.184  -4.947  19.980
  450    HB2  ARG  62           HB2      ARG  62  -7.276  -3.189  21.250
  451    HB3  ARG  62           HB3      ARG  62  -6.717  -3.829  22.773
  452    HG2  ARG  62           HG2      ARG  62  -4.707  -2.993  20.659
  453    HG3  ARG  62           HG3      ARG  62  -5.546  -1.765  21.590
  454    HD2  ARG  62           HD2      ARG  62  -3.813  -3.946  22.832
  455    HD3  ARG  62           HD3      ARG  62  -3.320  -2.303  22.491
  456    HE   ARG  62           HE       ARG  62  -4.762  -1.434  24.129
  457   HH11  ARG  62          HH11      ARG  62  -4.893  -5.008  24.297
  458   HH12  ARG  62          HH12      ARG  62  -5.355  -4.956  25.968
  459   HH21  ARG  62          HH21      ARG  62  -5.422  -1.505  26.241
  460   HH22  ARG  62          HH22      ARG  62  -5.714  -3.025  27.024
  461    H    GLU  63           H        GLU  63  -4.241  -5.843  19.794
  462    HA   GLU  63           HA       GLU  63  -2.388  -6.228  21.907
  463    HB2  GLU  63           HB2      GLU  63  -2.050  -8.564  22.015
  464    HB3  GLU  63           HB3      GLU  63  -3.694  -8.217  22.471
  465    HG2  GLU  63           HG2      GLU  63  -4.407  -8.889  20.123
  466    HG3  GLU  63           HG3      GLU  63  -2.752  -9.448  19.859
  467    H    ARG  64           H        ARG  64  -0.682  -8.153  20.622
  468    HA   ARG  64           HA       ARG  64   0.362  -6.310  18.611
  469    HB2  ARG  64           HB2      ARG  64   1.547  -8.768  19.935
  470    HB3  ARG  64           HB3      ARG  64   2.340  -7.872  18.634
  471    HG2  ARG  64           HG2      ARG  64   2.098  -5.750  19.986
  472    HG3  ARG  64           HG3      ARG  64   1.506  -6.730  21.334
  473    HD2  ARG  64           HD2      ARG  64   3.883  -6.230  21.631
  474    HD3  ARG  64           HD3      ARG  64   3.653  -7.964  21.374
  475    HE   ARG  64           HE       ARG  64   4.802  -7.853  19.358
  476   HH11  ARG  64          HH11      ARG  64   4.187  -4.473  20.260
  477   HH12  ARG  64          HH12      ARG  64   5.148  -3.881  18.933
  478   HH21  ARG  64          HH21      ARG  64   5.878  -7.129  17.797
  479   HH22  ARG  64          HH22      ARG  64   6.249  -5.420  17.567
  480    H    LEU  65           H        LEU  65   1.011  -6.693  16.569
  481    HA   LEU  65           HA       LEU  65  -0.771  -7.933  14.797
  482    HB2  LEU  65           HB2      LEU  65   0.836  -6.109  14.219
  483    HB3  LEU  65           HB3      LEU  65   2.180  -7.224  14.438
  484    HG   LEU  65           HG       LEU  65   1.226  -8.630  12.532
  485   HD11  LEU  65          HD11      LEU  65  -0.341  -7.513  10.978
  486   HD12  LEU  65          HD12      LEU  65  -1.103  -7.758  12.555
  487   HD13  LEU  65          HD13      LEU  65  -0.498  -6.152  12.103
  488   HD21  LEU  65          HD21      LEU  65   2.021  -5.766  11.898
  489   HD22  LEU  65          HD22      LEU  65   3.135  -7.116  12.210
  490   HD23  LEU  65          HD23      LEU  65   2.089  -7.138  10.779
  491    H    GLU  66           H        GLU  66   2.489  -9.179  15.763
  492    HA   GLU  66           HA       GLU  66   2.387 -11.520  14.253
  493    HB2  GLU  66           HB2      GLU  66   4.101 -12.393  15.809
  494    HB3  GLU  66           HB3      GLU  66   4.462 -10.822  15.130
  495    HG2  GLU  66           HG2      GLU  66   3.170 -10.922  17.862
  496    HG3  GLU  66           HG3      GLU  66   4.847 -11.419  17.700
  497    H    ASP  67           H        ASP  67   0.760 -10.985  17.393
  498    HA   ASP  67           HA       ASP  67   0.101 -13.851  17.653
  499    HB2  ASP  67           HB2      ASP  67   0.413 -12.265  19.609
  500    HB3  ASP  67           HB3      ASP  67  -1.122 -11.516  19.154
  501    H    VAL  68           H        VAL  68  -1.598 -10.808  16.798
  502    HA   VAL  68           HA       VAL  68  -4.097 -12.008  16.164
  503    HB   VAL  68           HB       VAL  68  -2.933  -9.444  15.041
  504   HG11  VAL  68          HG11      VAL  68  -5.833 -10.425  15.086
  505   HG12  VAL  68          HG12      VAL  68  -5.299  -8.801  14.603
  506   HG13  VAL  68          HG13      VAL  68  -4.842 -10.205  13.637
  507   HG21  VAL  68          HG21      VAL  68  -4.399  -8.416  16.799
  508   HG22  VAL  68          HG22      VAL  68  -4.770 -10.031  17.413
  509   HG23  VAL  68          HG23      VAL  68  -3.111  -9.406  17.489
  510    H    VAL  69           H        VAL  69  -1.239 -11.637  14.144
  511    HA   VAL  69           HA       VAL  69  -2.565 -12.741  11.782
  512    HB   VAL  69           HB       VAL  69   0.324 -12.085  12.428
  513   HG11  VAL  69          HG11      VAL  69   0.328 -13.856  10.720
  514   HG12  VAL  69          HG12      VAL  69  -0.877 -12.955   9.768
  515   HG13  VAL  69          HG13      VAL  69   0.767 -12.310  10.010
  516   HG21  VAL  69          HG21      VAL  69  -1.719 -10.732  10.597
  517   HG22  VAL  69          HG22      VAL  69  -1.345 -10.185  12.232
  518   HG23  VAL  69          HG23      VAL  69  -0.085 -10.147  10.978
  519    H    GLY  70           H        GLY  70  -0.197 -14.050  14.231
  520    HA2  GLY  70           HA2      GLY  70   0.199 -16.208  14.875
  521    HA3  GLY  70           HA3      GLY  70  -1.412 -16.595  14.226
  522    H    GLY  71           H        GLY  71   1.125 -15.423  12.097
  523    HA2  GLY  71           HA2      GLY  71   2.461 -16.540  10.526
  524    HA3  GLY  71           HA3      GLY  71   1.762 -18.102  11.019
  525    H    CYS  72           H        CYS  72  -0.815 -16.015  10.431
  526    HA   CYS  72           HA       CYS  72  -1.492 -17.212   7.870
  527    HB2  CYS  72           HB2      CYS  72  -2.778 -14.899   9.414
  528    HB3  CYS  72           HB3      CYS  72  -3.489 -15.723   8.030
  529    HG   CYS  72           HG       CYS  72  -2.812 -16.839  11.060
  530    H    CYS  73           H        CYS  73  -2.292 -15.767   6.044
  531    HA   CYS  73           HA       CYS  73  -0.226 -13.832   5.199
  532    HB2  CYS  73           HB2      CYS  73  -2.772 -14.876   3.866
  533    HB3  CYS  73           HB3      CYS  73  -1.659 -13.709   3.131
  534    HG   CYS  73           HG       CYS  73  -0.848 -16.717   4.316
  535    H    TYR  74           H        TYR  74  -0.631 -11.641   4.698
  536    HA   TYR  74           HA       TYR  74  -3.147 -10.376   5.322
  537    HB2  TYR  74           HB2      TYR  74  -2.435  -8.948   7.134
  538    HB3  TYR  74           HB3      TYR  74  -2.269 -10.619   7.608
  539    HD1  TYR  74           HD1      TYR  74   0.068 -11.681   7.589
  540    HD2  TYR  74           HD2      TYR  74  -0.599  -7.433   7.289
  541    HE1  TYR  74           HE1      TYR  74   2.378 -11.263   8.405
  542    HE2  TYR  74           HE2      TYR  74   1.704  -7.013   8.120
  543    HH   TYR  74           HH       TYR  74   3.701  -7.968   8.814
  544    H    ARG  75           H        ARG  75  -3.035  -7.939   5.091
  545    HA   ARG  75           HA       ARG  75  -0.785  -6.676   3.762
  546    HB2  ARG  75           HB2      ARG  75  -1.962  -8.199   1.959
  547    HB3  ARG  75           HB3      ARG  75  -3.299  -7.079   2.065
  548    HG2  ARG  75           HG2      ARG  75  -1.952  -6.559   0.149
  549    HG3  ARG  75           HG3      ARG  75  -1.765  -5.234   1.300
  550    HD2  ARG  75           HD2      ARG  75   0.429  -6.118   1.993
  551    HD3  ARG  75           HD3      ARG  75   0.200  -7.552   0.971
  552    HE   ARG  75           HE       ARG  75  -0.060  -5.306  -0.703
  553   HH11  ARG  75          HH11      ARG  75   2.531  -6.786   1.224
  554   HH12  ARG  75          HH12      ARG  75   3.769  -6.259   0.117
  555   HH21  ARG  75          HH21      ARG  75   1.591  -4.646  -2.069
  556   HH22  ARG  75          HH22      ARG  75   3.244  -5.048  -1.712
  557    H    VAL  76           H        VAL  76  -1.139  -4.329   3.517
  558    HA   VAL  76           HA       VAL  76  -3.507  -3.306   4.979
  559    HB   VAL  76           HB       VAL  76  -1.065  -1.856   3.963
  560   HG11  VAL  76          HG11      VAL  76  -1.896   0.197   5.043
  561   HG12  VAL  76          HG12      VAL  76  -2.971  -0.265   3.729
  562   HG13  VAL  76          HG13      VAL  76  -3.446  -0.564   5.413
  563   HG21  VAL  76          HG21      VAL  76  -2.201  -2.334   6.758
  564   HG22  VAL  76          HG22      VAL  76  -0.794  -3.162   6.052
  565   HG23  VAL  76          HG23      VAL  76  -0.733  -1.418   6.387
  566    H    ASN  77           H        ASN  77  -5.147  -2.250   4.116
  567    HA   ASN  77           HA       ASN  77  -5.297  -1.260   1.374
  568    HB2  ASN  77           HB2      ASN  77  -5.650  -3.602   0.855
  569    HB3  ASN  77           HB3      ASN  77  -6.734  -3.795   2.234
  570   HD21  ASN  77          HD22      ASN  77  -8.309  -4.682   0.791
  571   HD22  ASN  77          HD21      ASN  77  -9.283  -3.613  -0.229
  572    H    ASN  78           H        ASN  78  -6.210   0.689   1.913
  573    HA   ASN  78           HA       ASN  78  -7.972   0.867   4.246
  574    HB2  ASN  78           HB2      ASN  78  -6.148   2.540   3.514
  575    HB3  ASN  78           HB3      ASN  78  -7.305   3.098   2.308
  576   HD21  ASN  78          HD21      ASN  78  -6.357   3.190   5.617
  577   HD22  ASN  78          HD22      ASN  78  -7.714   4.158   6.214
  578    H    SER  79           H        SER  79  -8.312   0.851   0.788
  579    HA   SER  79           HA       SER  79  -9.975   0.801  -0.696
  580    HB2  SER  79           HB2      SER  79 -10.945  -0.716   1.004
  581    HB3  SER  79           HB3      SER  79 -11.943   0.639   1.589
  582    HG   SER  79           HG       SER  79 -13.013  -0.679  -0.013
  583    H    LEU  80           H        LEU  80 -10.950   2.967   1.973
  584    HA   LEU  80           HA       LEU  80 -12.149   4.826  -0.033
  585    HB2  LEU  80           HB2      LEU  80 -12.355   4.821   3.002
  586    HB3  LEU  80           HB3      LEU  80 -13.169   5.938   1.910
  587    HG   LEU  80           HG       LEU  80 -13.662   2.945   2.162
  588   HD11  LEU  80          HD11      LEU  80 -15.896   3.657   2.856
  589   HD12  LEU  80          HD12      LEU  80 -14.683   4.474   3.860
  590   HD13  LEU  80          HD13      LEU  80 -15.486   5.360   2.555
  591   HD21  LEU  80          HD21      LEU  80 -15.486   3.313   0.449
  592   HD22  LEU  80          HD22      LEU  80 -14.753   4.892   0.076
  593   HD23  LEU  80          HD23      LEU  80 -13.855   3.392  -0.219
  594    H    ASP  81           H        ASP  81  -9.516   4.967   2.401
  595    HA   ASP  81           HA       ASP  81  -8.843   7.689   1.924
  596    HB2  ASP  81           HB2      ASP  81  -7.912   6.189   3.705
  597    HB3  ASP  81           HB3      ASP  81  -6.948   5.382   2.465
  598    H    HIS  82           H        HIS  82  -8.375   4.880  -0.104
  599    HA   HIS  82           HA       HIS  82  -6.541   6.127  -1.999
  600    HB2  HIS  82           HB2      HIS  82  -8.373   3.752  -2.460
  601    HB3  HIS  82           HB3      HIS  82  -6.860   4.120  -3.277
  602    HD1  HIS  82           HD1      HIS  82  -5.068   4.518  -0.551
  603    HD2  HIS  82           HD2      HIS  82  -7.735   1.407  -1.489
  604    HE1  HIS  82           HE1      HIS  82  -4.410   2.549   0.920
  605    H    GLU  83           H        GLU  83  -9.903   6.539  -1.427
  606    HA   GLU  83           HA       GLU  83 -10.522   7.349  -4.221
  607    HB2  GLU  83           HB2      GLU  83 -12.320   6.949  -1.798
  608    HB3  GLU  83           HB3      GLU  83 -12.855   7.560  -3.353
  609    HG2  GLU  83           HG2      GLU  83 -11.579   4.823  -2.966
  610    HG3  GLU  83           HG3      GLU  83 -13.312   5.136  -2.986
  611    H    TYR  84           H        TYR  84 -10.217   8.598  -0.942
  612    HA   TYR  84           HA       TYR  84  -9.883  11.369  -1.695
  613    HB2  TYR  84           HB2      TYR  84 -12.042  12.089  -0.471
  614    HB3  TYR  84           HB3      TYR  84 -12.167  11.521  -2.113
  615    HD1  TYR  84           HD1      TYR  84 -12.483  10.235   1.430
  616    HD2  TYR  84           HD2      TYR  84 -13.780   9.930  -2.666
  617    HE1  TYR  84           HE1      TYR  84 -14.178   8.558   2.106
  618    HE2  TYR  84           HE2      TYR  84 -15.489   8.251  -1.995
  619    HH   TYR  84           HH       TYR  84 -15.865   7.172   1.399
  620    H    GLN  85           H        GLN  85  -9.890  12.802   0.188
  621    HA   GLN  85           HA       GLN  85  -9.714  13.569   2.208
  622    HB2  GLN  85           HB2      GLN  85 -10.575  12.517   3.962
  623    HB3  GLN  85           HB3      GLN  85 -11.175  11.500   2.684
  624    HG2  GLN  85           HG2      GLN  85  -8.846  10.142   3.363
  625    HG3  GLN  85           HG3      GLN  85  -9.218  10.924   4.889
  626   HE21  GLN  85          HE22      GLN  85 -10.614   8.757   2.365
  627   HE22  GLN  85          HE21      GLN  85 -11.695   7.930   3.503
  628    HA   PRO  86           HA       PRO  86  -5.385  13.204   3.415
  629    HB2  PRO  86           HB2      PRO  86  -5.237  14.968   5.462
  630    HB3  PRO  86           HB3      PRO  86  -5.587  15.493   3.786
  631    HG2  PRO  86           HG2      PRO  86  -7.554  15.029   6.049
  632    HG3  PRO  86           HG3      PRO  86  -7.467  16.415   4.921
  633    HD2  PRO  86           HD2      PRO  86  -9.164  14.267   4.551
  634    HD3  PRO  86           HD3      PRO  86  -8.480  15.217   3.203
  635    H    ARG  87           H        ARG  87  -7.904  12.682   5.835
  636    HA   ARG  87           HA       ARG  87  -8.251  11.302   7.474
  637    HB2  ARG  87           HB2      ARG  87  -7.310   9.769   5.759
  638    HB3  ARG  87           HB3      ARG  87  -5.785   9.730   6.675
  639    HG2  ARG  87           HG2      ARG  87  -6.957   8.849   8.631
  640    HG3  ARG  87           HG3      ARG  87  -8.523   9.118   7.839
  641    HD2  ARG  87           HD2      ARG  87  -8.336   6.903   7.623
  642    HD3  ARG  87           HD3      ARG  87  -7.694   7.413   6.062
  643    HE   ARG  87           HE       ARG  87  -6.271   6.127   8.315
  644   HH11  ARG  87          HH12      ARG  87  -5.677   7.807   5.211
  645   HH12  ARG  87          HH11      ARG  87  -4.035   7.248   5.174
  646   HH21  ARG  87          HH21      ARG  87  -4.230   5.394   8.095
  647   HH22  ARG  87          HH22      ARG  87  -3.228   5.877   6.747
  648    HA   PRO  88           HA       PRO  88  -5.558  13.012  10.737
  649    HB2  PRO  88           HB2      PRO  88  -7.357  13.244  12.731
  650    HB3  PRO  88           HB3      PRO  88  -7.401  14.302  11.297
  651    HG2  PRO  88           HG2      PRO  88  -9.049  11.792  11.786
  652    HG3  PRO  88           HG3      PRO  88  -9.620  13.409  11.269
  653    HD2  PRO  88           HD2      PRO  88  -9.100  11.397   9.488
  654    HD3  PRO  88           HD3      PRO  88  -8.796  13.117   9.099
  655    H    VAL  89           H        VAL  89  -4.249  11.154  10.793
  656    HA   VAL  89           HA       VAL  89  -4.959   8.567  11.558
  657    HB   VAL  89           HB       VAL  89  -2.340  10.079  11.540
  658   HG11  VAL  89          HG11      VAL  89  -1.115   7.912  11.859
  659   HG12  VAL  89          HG12      VAL  89  -1.873   8.535  13.327
  660   HG13  VAL  89          HG13      VAL  89  -2.634   7.197  12.450
  661   HG21  VAL  89          HG21      VAL  89  -1.869   8.557   9.659
  662   HG22  VAL  89          HG22      VAL  89  -3.413   7.718   9.937
  663   HG23  VAL  89          HG23      VAL  89  -3.397   9.408   9.402
  664    H    GLU  90           H        GLU  90  -3.855  11.183  13.736
  665    HA   GLU  90           HA       GLU  90  -3.614   9.542  16.080
  666    HB2  GLU  90           HB2      GLU  90  -4.217  12.539  15.833
  667    HB3  GLU  90           HB3      GLU  90  -3.699  11.707  17.290
  668    HG2  GLU  90           HG2      GLU  90  -1.842  12.858  16.427
  669    HG3  GLU  90           HG3      GLU  90  -1.549  11.125  16.224
  670    H    VAL  91           H        VAL  91  -6.301  11.499  14.808
  671    HA   VAL  91           HA       VAL  91  -8.033  11.051  17.101
  672    HB   VAL  91           HB       VAL  91  -8.658  12.072  14.312
  673   HG11  VAL  91          HG11      VAL  91 -10.753  11.355  15.377
  674   HG12  VAL  91          HG12      VAL  91 -10.327  12.236  16.864
  675   HG13  VAL  91          HG13      VAL  91 -10.672  13.117  15.360
  676   HG21  VAL  91          HG21      VAL  91  -8.572  14.320  15.372
  677   HG22  VAL  91          HG22      VAL  91  -8.061  13.567  16.903
  678   HG23  VAL  91          HG23      VAL  91  -7.013  13.499  15.479
  679    H    ILE  92           H        ILE  92  -7.545   9.449  13.972
  680    HA   ILE  92           HA       ILE  92  -9.744   7.538  14.295
  681    HB   ILE  92           HB       ILE  92  -7.404   7.872  12.410
  682   HG12  ILE  92          HG12      ILE  92 -10.428   7.769  11.971
  683   HG13  ILE  92          HG13      ILE  92  -9.599   9.251  12.402
  684   HG21  ILE  92          HG21      ILE  92  -7.536   5.456  12.632
  685   HG22  ILE  92          HG22      ILE  92  -9.302   5.483  12.479
  686   HG23  ILE  92          HG23      ILE  92  -8.272   5.916  11.101
  687   HD11  ILE  92          HD11      ILE  92  -8.258   9.185  10.405
  688   HD12  ILE  92          HD12      ILE  92  -9.035   7.658   9.886
  689   HD13  ILE  92          HD13      ILE  92  -9.992   9.146  10.013
  690    H    ILE  93           H        ILE  93  -6.202   7.323  15.047
  691    HA   ILE  93           HA       ILE  93  -6.453   4.665  16.210
  692    HB   ILE  93           HB       ILE  93  -4.474   6.946  16.551
  693   HG12  ILE  93          HG12      ILE  93  -4.182   4.176  15.270
  694   HG13  ILE  93          HG13      ILE  93  -4.592   5.621  14.364
  695   HG21  ILE  93          HG21      ILE  93  -2.989   5.302  17.770
  696   HG22  ILE  93          HG22      ILE  93  -4.411   5.766  18.675
  697   HG23  ILE  93          HG23      ILE  93  -4.375   4.189  17.857
  698   HD11  ILE  93          HD11      ILE  93  -2.227   5.172  14.110
  699   HD12  ILE  93          HD12      ILE  93  -2.444   6.671  15.038
  700   HD13  ILE  93          HD13      ILE  93  -1.975   5.156  15.850
  701    H    SER  94           H        SER  94  -6.953   7.915  17.566
  702    HA   SER  94           HA       SER  94  -7.430   7.024  20.258
  703    HB2  SER  94           HB2      SER  94  -8.537   9.487  18.853
  704    HB3  SER  94           HB3      SER  94  -8.501   9.207  20.597
  705    HG   SER  94           HG       SER  94  -6.307   9.566  18.813
  706    H    SER  95           H        SER  95  -9.640   7.492  17.502
  707    HA   SER  95           HA       SER  95 -12.082   6.773  18.821
  708    HB2  SER  95           HB2      SER  95 -11.181   6.639  15.919
  709    HB3  SER  95           HB3      SER  95 -12.844   6.317  16.456
  710    HG   SER  95           HG       SER  95 -11.374   8.754  16.637
  711    H    ALA  96           H        ALA  96  -9.666   4.829  16.998
  712    HA   ALA  96           HA       ALA  96 -10.955   2.309  17.239
  713    HB1  ALA  96           HB1      ALA  96  -9.020   2.950  15.737
  714    HB2  ALA  96           HB2      ALA  96  -7.961   2.910  17.159
  715    HB3  ALA  96           HB3      ALA  96  -8.783   1.429  16.619
  716    H    LYS  97           H        LYS  97  -8.467   3.806  19.409
  717    HA   LYS  97           HA       LYS  97  -8.506   1.766  21.386
  718    HB2  LYS  97           HB2      LYS  97  -7.912   4.737  21.544
  719    HB3  LYS  97           HB3      LYS  97  -7.777   3.659  22.940
  720    HG2  LYS  97           HG2      LYS  97  -6.211   2.194  21.667
  721    HG3  LYS  97           HG3      LYS  97  -6.240   3.330  20.321
  722    HD2  LYS  97           HD2      LYS  97  -5.243   3.889  23.146
  723    HD3  LYS  97           HD3      LYS  97  -4.245   3.617  21.708
  724    HE2  LYS  97           HE2      LYS  97  -5.271   5.666  20.660
  725    HE3  LYS  97           HE3      LYS  97  -6.164   5.952  22.168
  726    HZ1  LYS  97           HZ1      LYS  97  -4.033   6.151  23.325
  727    HZ2  LYS  97           HZ2      LYS  97  -3.195   5.898  21.942
  728    HZ3  LYS  97           HZ3      LYS  97  -4.109   7.245  22.111
  729    H    GLU  98           H        GLU  98 -10.674   4.632  21.151
  730    HA   GLU  98           HA       GLU  98 -12.115   4.122  23.543
  731    HB2  GLU  98           HB2      GLU  98 -12.871   5.520  20.964
  732    HB3  GLU  98           HB3      GLU  98 -13.991   5.405  22.312
  733    HG2  GLU  98           HG2      GLU  98 -11.219   6.639  22.569
  734    HG3  GLU  98           HG3      GLU  98 -12.682   7.550  22.214
  735    H    MET  99           H        MET  99 -12.530   2.661  20.337
  736    HA   MET  99           HA       MET  99 -14.968   1.227  21.050
  737    HB2  MET  99           HB2      MET  99 -12.963   0.767  18.805
  738    HB3  MET  99           HB3      MET  99 -14.443  -0.161  19.032
  739    HG2  MET  99           HG2      MET  99 -15.770   1.962  18.884
  740    HG3  MET  99           HG3      MET  99 -14.275   2.824  18.525
  741    HE1  MET  99           HE1      MET  99 -16.462  -0.170  15.747
  742    HE2  MET  99           HE2      MET  99 -15.967  -0.591  17.398
  743    HE3  MET  99           HE3      MET  99 -17.193   0.658  17.136
  744    H    VAL 100           H        VAL 100 -11.672   0.576  21.972
  745    HA   VAL 100           HA       VAL 100 -11.723  -2.269  21.837
  746    HB   VAL 100           HB       VAL 100 -10.133  -0.541  23.771
  747   HG11  VAL 100          HG11      VAL 100  -8.633  -2.536  23.959
  748   HG12  VAL 100          HG12      VAL 100 -10.223  -2.847  24.647
  749   HG13  VAL 100          HG13      VAL 100  -9.815  -3.494  23.041
  750   HG21  VAL 100          HG21      VAL 100  -8.286  -0.933  22.179
  751   HG22  VAL 100          HG22      VAL 100  -9.370  -1.884  21.134
  752   HG23  VAL 100          HG23      VAL 100  -9.645  -0.154  21.365
  753    H    GLY 101           H        GLY 101 -12.696  -3.753  22.885
  754    HA2  GLY 101           HA2      GLY 101 -13.549  -4.930  24.731
  755    HA3  GLY 101           HA3      GLY 101 -13.753  -3.420  25.642
  756    H    GLN 102           H        GLN 102 -15.120  -2.679  22.661
  757    HA   GLN 102           HA       GLN 102 -17.773  -3.180  23.751
  758    HB2  GLN 102           HB2      GLN 102 -18.657  -1.810  22.196
  759    HB3  GLN 102           HB3      GLN 102 -17.103  -1.057  22.476
  760    HG2  GLN 102           HG2      GLN 102 -16.323  -1.658  20.271
  761    HG3  GLN 102           HG3      GLN 102 -17.536  -2.910  20.080
  762   HE21  GLN 102          HE22      GLN 102 -19.753  -2.347  19.583
  763   HE22  GLN 102          HE21      GLN 102 -20.105  -0.734  18.972
  764    H    LYS 103           H        LYS 103 -19.410  -4.280  22.801
  765    HA   LYS 103           HA       LYS 103 -18.741  -6.650  21.160
  766    HB2  LYS 103           HB2      LYS 103 -21.303  -5.795  22.583
  767    HB3  LYS 103           HB3      LYS 103 -21.147  -7.263  21.625
  768    HG2  LYS 103           HG2      LYS 103 -19.591  -6.675  24.168
  769    HG3  LYS 103           HG3      LYS 103 -21.020  -7.704  23.998
  770    HD2  LYS 103           HD2      LYS 103 -19.589  -9.000  22.206
  771    HD3  LYS 103           HD3      LYS 103 -18.204  -8.187  22.978
  772    HE2  LYS 103           HE2      LYS 103 -19.026  -9.040  25.195
  773    HE3  LYS 103           HE3      LYS 103 -20.338  -9.879  24.345
  774    HZ1  LYS 103           HZ1      LYS 103 -18.598 -11.166  23.161
  775    HZ2  LYS 103           HZ2      LYS 103 -17.429 -10.414  24.055
  776    HZ3  LYS 103           HZ3      LYS 103 -18.518 -11.393  24.781
  777    H    MET 104           H        MET 104 -20.008  -7.133  19.278
  778    HA   MET 104           HA       MET 104 -21.518  -4.949  17.944
  779    HB2  MET 104           HB2      MET 104 -19.182  -6.328  16.548
  780    HB3  MET 104           HB3      MET 104 -20.273  -5.123  15.860
  781    HG2  MET 104           HG2      MET 104 -19.437  -3.515  17.653
  782    HG3  MET 104           HG3      MET 104 -18.231  -4.732  18.080
  783    HE1  MET 104           HE1      MET 104 -19.696  -3.019  14.816
  784    HE2  MET 104           HE2      MET 104 -19.149  -1.757  15.954
  785    HE3  MET 104           HE3      MET 104 -18.300  -1.996  14.415
  786    H    LYS 105           H        LYS 105 -22.989  -5.660  16.379
  787    HA   LYS 105           HA       LYS 105 -23.324  -8.426  15.606
  788    HB2  LYS 105           HB2      LYS 105 -23.999  -8.103  18.215
  789    HB3  LYS 105           HB3      LYS 105 -25.514  -7.573  17.515
  790    HG2  LYS 105           HG2      LYS 105 -25.603  -9.772  16.236
  791    HG3  LYS 105           HG3      LYS 105 -24.072 -10.225  17.002
  792    HD2  LYS 105           HD2      LYS 105 -25.162  -9.978  19.244
  793    HD3  LYS 105           HD3      LYS 105 -26.710  -9.677  18.445
  794    HE2  LYS 105           HE2      LYS 105 -24.994 -12.183  18.033
  795    HE3  LYS 105           HE3      LYS 105 -26.269 -12.067  19.245
  796    HZ1  LYS 105           HZ1      LYS 105 -27.877 -11.674  17.455
  797    HZ2  LYS 105           HZ2      LYS 105 -26.708 -11.846  16.312
  798    HZ3  LYS 105           HZ3      LYS 105 -27.121 -13.106  17.261
  799    H    TYR 106           H        TYR 106 -26.303  -8.174  15.493
  800    HA   TYR 106           HA       TYR 106 -27.975  -7.450  14.169
  801    HB2  TYR 106           HB2      TYR 106 -26.677  -4.717  14.406
  802    HB3  TYR 106           HB3      TYR 106 -28.382  -5.078  14.198
  803    HD1  TYR 106           HD2      TYR 106 -29.489  -6.585  16.094
  804    HD2  TYR 106           HD1      TYR 106 -25.869  -4.286  16.583
  805    HE1  TYR 106           HE2      TYR 106 -29.779  -6.662  18.561
  806    HE2  TYR 106           HE1      TYR 106 -26.159  -4.356  19.053
  807    HH   TYR 106           HH       TYR 106 -28.924  -6.041  20.598
  808    H    SER 107           H        SER 107 -25.561  -8.332  12.676
  809    HA   SER 107           HA       SER 107 -26.210  -7.491   9.984
  810    HB2  SER 107           HB2      SER 107 -23.894  -6.470   9.570
  811    HB3  SER 107           HB3      SER 107 -25.075  -5.469  10.417
  812    HG   SER 107           HG       SER 107 -24.058  -5.979  12.381
  813    H    ILE 108           H        ILE 108 -24.915  -8.546   8.349
  814    HA   ILE 108           HA       ILE 108 -23.940 -11.213   9.117
  815    HB   ILE 108           HB       ILE 108 -24.140  -9.754   6.439
  816   HG12  ILE 108          HG12      ILE 108 -25.817 -12.025   7.611
  817   HG13  ILE 108          HG13      ILE 108 -26.314 -10.337   7.564
  818   HG21  ILE 108          HG21      ILE 108 -23.414 -12.684   6.940
  819   HG22  ILE 108          HG22      ILE 108 -23.697 -11.936   5.354
  820   HG23  ILE 108          HG23      ILE 108 -22.323 -11.428   6.298
  821   HD11  ILE 108          HD11      ILE 108 -25.915 -12.149   5.162
  822   HD12  ILE 108          HD12      ILE 108 -27.412 -11.432   5.764
  823   HD13  ILE 108          HD13      ILE 108 -26.167 -10.386   5.055
  824    H    VAL 109           H        VAL 109 -21.757 -11.919   8.915
  825    HA   VAL 109           HA       VAL 109 -19.900 -10.311  10.111
  826    HB   VAL 109           HB       VAL 109 -19.305 -12.677   8.312
  827   HG11  VAL 109          HG11      VAL 109 -17.497 -11.342  10.380
  828   HG12  VAL 109          HG12      VAL 109 -17.188 -12.921   9.623
  829   HG13  VAL 109          HG13      VAL 109 -17.186 -11.468   8.634
  830   HG21  VAL 109          HG21      VAL 109 -19.657 -12.444  11.340
  831   HG22  VAL 109          HG22      VAL 109 -20.791 -13.216  10.209
  832   HG23  VAL 109          HG23      VAL 109 -19.197 -13.918  10.465
  833    H    SER 110           H        SER 110 -20.137 -10.701   6.543
  834    HA   SER 110           HA       SER 110 -17.909  -9.189   5.748
  835    HB2  SER 110           HB2      SER 110 -20.648  -9.252   4.419
  836    HB3  SER 110           HB3      SER 110 -19.102  -8.854   3.653
  837    HG   SER 110           HG       SER 110 -19.713 -11.031   3.267
  838    H    ARG 111           H        ARG 111 -21.245  -7.931   6.474
  839    HA   ARG 111           HA       ARG 111 -20.296  -5.173   6.189
  840    HB2  ARG 111           HB2      ARG 111 -22.636  -5.762   5.611
  841    HB3  ARG 111           HB3      ARG 111 -22.933  -6.179   7.298
  842    HG2  ARG 111           HG2      ARG 111 -23.797  -3.960   6.879
  843    HG3  ARG 111           HG3      ARG 111 -22.416  -3.800   7.965
  844    HD2  ARG 111           HD2      ARG 111 -20.991  -3.103   6.071
  845    HD3  ARG 111           HD3      ARG 111 -22.370  -3.271   4.967
  846    HE   ARG 111           HE       ARG 111 -23.280  -1.601   6.991
  847   HH11  ARG 111          HH21      ARG 111 -20.677  -1.379   4.571
  848   HH12  ARG 111          HH22      ARG 111 -20.730   0.364   4.581
  849   HH21  ARG 111          HH11      ARG 111 -23.270   0.639   6.929
  850   HH22  ARG 111          HH12      ARG 111 -22.177   1.483   5.881
  851    H    ASN 112           H        ASN 112 -20.834  -7.435   8.862
  852    HA   ASN 112           HA       ASN 112 -20.684  -5.609  11.003
  853    HB2  ASN 112           HB2      ASN 112 -21.244  -8.107  11.027
  854    HB3  ASN 112           HB3      ASN 112 -19.502  -8.411  11.039
  855   HD21  ASN 112          HD22      ASN 112 -22.055  -6.573  12.783
  856   HD22  ASN 112          HD21      ASN 112 -21.318  -6.774  14.370
  857    H    CYS 113           H        CYS 113 -17.939  -7.262   9.367
  858    HA   CYS 113           HA       CYS 113 -15.964  -5.757  10.878
  859    HB2  CYS 113           HB2      CYS 113 -14.347  -7.000   9.677
  860    HB3  CYS 113           HB3      CYS 113 -15.659  -8.084  10.079
  861    HG   CYS 113           HG       CYS 113 -16.778  -8.257   7.802
  862    H    GLU 114           H        GLU 114 -17.310  -5.316   7.564
  863    HA   GLU 114           HA       GLU 114 -15.696  -3.090   6.827
  864    HB2  GLU 114           HB2      GLU 114 -17.121  -4.406   5.300
  865    HB3  GLU 114           HB3      GLU 114 -18.567  -3.751   6.076
  866    HG2  GLU 114           HG2      GLU 114 -17.906  -1.457   5.330
  867    HG3  GLU 114           HG3      GLU 114 -16.483  -2.149   4.535
  868    H    HIS 115           H        HIS 115 -18.912  -3.106   8.470
  869    HA   HIS 115           HA       HIS 115 -19.141  -0.286   8.789
  870    HB2  HIS 115           HB2      HIS 115 -20.994  -1.920   8.940
  871    HB3  HIS 115           HB3      HIS 115 -20.331  -2.539  10.456
  872    HD1  HIS 115           HD1      HIS 115 -22.415  -1.777  11.927
  873    HD2  HIS 115           HD2      HIS 115 -20.646   1.281   9.635
  874    HE1  HIS 115           HE1      HIS 115 -23.463   0.409  12.709
  875    H    PHE 116           H        PHE 116 -17.602  -2.828  10.806
  876    HA   PHE 116           HA       PHE 116 -16.769  -1.194  12.995
  877    HB2  PHE 116           HB2      PHE 116 -16.617  -3.481  13.355
  878    HB3  PHE 116           HB3      PHE 116 -15.933  -3.812  11.808
  879    HD1  PHE 116           HD1      PHE 116 -15.065  -2.175  15.061
  880    HD2  PHE 116           HD2      PHE 116 -13.617  -4.177  11.521
  881    HE1  PHE 116           HE1      PHE 116 -12.797  -2.288  16.047
  882    HE2  PHE 116           HE2      PHE 116 -11.349  -4.303  12.526
  883    HZ   PHE 116           HZ       PHE 116 -10.938  -3.370  14.796
  884    H    VAL 117           H        VAL 117 -14.754  -2.106  10.057
  885    HA   VAL 117           HA       VAL 117 -12.819  -0.128  10.850
  886    HB   VAL 117           HB       VAL 117 -11.869  -0.146   8.579
  887   HG11  VAL 117          HG11      VAL 117 -12.250  -2.834   9.914
  888   HG12  VAL 117          HG12      VAL 117 -10.923  -2.358   8.811
  889   HG13  VAL 117          HG13      VAL 117 -11.077  -1.582  10.384
  890   HG21  VAL 117          HG21      VAL 117 -13.887  -0.681   7.250
  891   HG22  VAL 117          HG22      VAL 117 -12.540  -1.786   6.940
  892   HG23  VAL 117          HG23      VAL 117 -13.895  -2.314   7.951
  893    H    THR 118           H        THR 118 -15.782   0.369   9.003
  894    HA   THR 118           HA       THR 118 -15.036   3.086   8.210
  895    HB   THR 118           HB       THR 118 -17.884   2.188   8.626
  896    HG1  THR 118           HG1      THR 118 -16.878   0.620   7.282
  897   HG21  THR 118          HG21      THR 118 -16.577   4.113   6.654
  898   HG22  THR 118          HG22      THR 118 -18.300   3.694   6.727
  899   HG23  THR 118          HG23      THR 118 -17.550   4.561   8.074
  900    H    GLN 119           H        GLN 119 -16.616   1.741  11.150
  901    HA   GLN 119           HA       GLN 119 -16.865   4.342  12.414
  902    HB2  GLN 119           HB2      GLN 119 -16.858   1.492  13.433
  903    HB3  GLN 119           HB3      GLN 119 -16.911   2.871  14.530
  904    HG2  GLN 119           HG2      GLN 119 -18.969   3.690  13.632
  905    HG3  GLN 119           HG3      GLN 119 -18.880   2.624  12.227
  906   HE21  GLN 119          HE22      GLN 119 -19.062   0.308  12.571
  907   HE22  GLN 119          HE21      GLN 119 -20.077  -0.270  13.903
  908    H    LEU 120           H        LEU 120 -14.050   2.269  11.894
  909    HA   LEU 120           HA       LEU 120 -12.401   3.761  13.799
  910    HB2  LEU 120           HB2      LEU 120 -11.460   2.055  11.463
  911    HB3  LEU 120           HB3      LEU 120 -10.519   2.640  12.824
  912    HG   LEU 120           HG       LEU 120 -12.792   0.634  13.020
  913   HD11  LEU 120          HD11      LEU 120 -11.303  -1.106  12.975
  914   HD12  LEU 120          HD12      LEU 120 -10.502  -0.006  11.849
  915   HD13  LEU 120          HD13      LEU 120  -9.931  -0.143  13.519
  916   HD21  LEU 120          HD21      LEU 120 -12.010   0.207  15.299
  917   HD22  LEU 120          HD22      LEU 120 -10.757   1.447  15.107
  918   HD23  LEU 120          HD23      LEU 120 -12.474   1.908  15.124
  919    H    ARG 121           H        ARG 121 -12.320   3.698  10.170
  920    HA   ARG 121           HA       ARG 121 -10.989   6.291  10.135
  921    HB2  ARG 121           HB2      ARG 121 -11.014   6.150   7.695
  922    HB3  ARG 121           HB3      ARG 121 -10.241   4.792   8.482
  923    HG2  ARG 121           HG2      ARG 121 -11.901   3.277   7.881
  924    HG3  ARG 121           HG3      ARG 121 -13.135   4.525   7.629
  925    HD2  ARG 121           HD2      ARG 121 -12.431   4.991   5.485
  926    HD3  ARG 121           HD3      ARG 121 -10.745   4.690   5.859
  927    HE   ARG 121           HE       ARG 121 -10.966   2.678   4.893
  928   HH11  ARG 121          HH11      ARG 121 -14.231   3.403   6.032
  929   HH12  ARG 121          HH12      ARG 121 -14.858   1.858   5.552
  930   HH21  ARG 121          HH22      ARG 121 -11.811   0.766   4.215
  931   HH22  ARG 121          HH21      ARG 121 -13.488   0.376   4.485
  932    H    TYR 122           H        TYR 122 -13.984   5.906  10.983
  933    HA   TYR 122           HA       TYR 122 -15.756   7.361   9.564
  934    HB2  TYR 122           HB2      TYR 122 -15.826   6.205  11.912
  935    HB3  TYR 122           HB3      TYR 122 -15.431   7.771  12.555
  936    HD1  TYR 122           HD1      TYR 122 -17.963   5.740  10.759
  937    HD2  TYR 122           HD2      TYR 122 -17.121   9.558  12.578
  938    HE1  TYR 122           HE1      TYR 122 -20.387   6.295  10.711
  939    HE2  TYR 122           HE2      TYR 122 -19.542  10.120  12.529
  940    HH   TYR 122           HH       TYR 122 -21.652   9.414  11.945
  941    H    GLY 123           H        GLY 123 -12.976   8.549  11.251
  942    HA2  GLY 123           HA2      GLY 123 -13.190  11.185  11.899
  943    HA3  GLY 123           HA3      GLY 123 -11.746  10.480  11.138
  944    H    LYS 124           H        LYS 124 -12.545  10.031   8.566
  945    HA   LYS 124           HA       LYS 124 -13.717  12.550   7.497
  946    HB2  LYS 124           HB2      LYS 124 -10.930  11.457   6.930
  947    HB3  LYS 124           HB3      LYS 124 -11.765  12.490   5.772
  948    HG2  LYS 124           HG2      LYS 124 -11.139  13.333   8.621
  949    HG3  LYS 124           HG3      LYS 124 -10.138  13.688   7.215
  950    HD2  LYS 124           HD2      LYS 124 -11.885  14.984   6.164
  951    HD3  LYS 124           HD3      LYS 124 -13.050  14.597   7.426
  952    HE2  LYS 124           HE2      LYS 124 -10.422  16.042   7.989
  953    HE3  LYS 124           HE3      LYS 124 -11.902  16.893   7.533
  954    HZ1  LYS 124           HZ1      LYS 124 -11.664  16.795   9.935
  955    HZ2  LYS 124           HZ2      LYS 124 -13.006  15.982   9.476
  956    HZ3  LYS 124           HZ3      LYS 124 -11.667  15.159   9.937
  957    H    SER 125           H        SER 125 -13.772   9.194   7.331
  958    HA   SER 125           HA       SER 125 -14.733   9.115   4.509
  959    HB2  SER 125           HB2      SER 125 -14.283   6.925   6.561
  960    HB3  SER 125           HB3      SER 125 -14.944   6.680   4.928
  961    HG   SER 125           HG       SER 125 -12.510   8.079   5.383
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1   3.260  -4.270 -11.729
    2    H2   MET   1           H2       MET   1   2.171  -3.206 -11.129
    3    H3   MET   1           H3       MET   1   3.771  -2.900 -10.993
    4    HA   MET   1           HA       MET   1   4.095  -4.775  -9.528
    5    HB2  MET   1           HB2      MET   1   3.664  -2.584  -8.529
    6    HB3  MET   1           HB3      MET   1   1.922  -2.846  -8.608
    7    HG2  MET   1           HG2      MET   1   2.805  -3.180  -6.360
    8    HG3  MET   1           HG3      MET   1   2.064  -4.650  -6.976
    9    HE1  MET   1           HE1      MET   1   3.216  -5.643  -4.730
   10    HE2  MET   1           HE2      MET   1   4.975  -5.735  -4.490
   11    HE3  MET   1           HE3      MET   1   4.149  -4.164  -4.408
   12    H    ALA   2           H        ALA   2   3.546  -6.895  -9.573
   13    HA   ALA   2           HA       ALA   2   0.814  -7.738 -10.252
   14    HB1  ALA   2           HB1      ALA   2   2.819  -8.757 -11.286
   15    HB2  ALA   2           HB2      ALA   2   3.357  -9.326  -9.687
   16    HB3  ALA   2           HB3      ALA   2   1.853  -9.948 -10.394
   17    H    SER   3           H        SER   3   2.904  -7.898  -7.355
   18    HA   SER   3           HA       SER   3   1.119  -9.649  -5.910
   19    HB2  SER   3           HB2      SER   3   3.427  -7.950  -4.898
   20    HB3  SER   3           HB3      SER   3   2.623  -9.254  -4.006
   21    HG   SER   3           HG       SER   3   4.538  -9.974  -5.056
   22    HA   PRO   4           HA       PRO   4  -1.585  -6.702  -3.804
   23    HB2  PRO   4           HB2      PRO   4  -1.110  -8.361  -1.340
   24    HB3  PRO   4           HB3      PRO   4  -2.660  -7.824  -2.074
   25    HG2  PRO   4           HG2      PRO   4  -1.805 -10.389  -2.359
   26    HG3  PRO   4           HG3      PRO   4  -2.543  -9.520  -3.740
   27    HD2  PRO   4           HD2      PRO   4   0.400  -9.943  -3.143
   28    HD3  PRO   4           HD3      PRO   4  -0.495 -10.155  -4.683
   29    H    HIS   5           H        HIS   5  -1.570  -5.076  -2.080
   30    HA   HIS   5           HA       HIS   5   1.114  -4.058  -1.603
   31    HB2  HIS   5           HB2      HIS   5  -0.746  -2.609  -2.292
   32    HB3  HIS   5           HB3      HIS   5  -1.618  -2.986  -0.802
   33    HD1  HIS   5           HD1      HIS   5  -1.212  -1.236   1.074
   34    HD2  HIS   5           HD2      HIS   5   1.892  -1.480  -1.756
   35    HE1  HIS   5           HE1      HIS   5   0.499   0.544   1.727
   36    H    GLN   6           H        GLN   6   2.384  -4.538   0.084
   37    HA   GLN   6           HA       GLN   6   1.191  -4.998   2.778
   38    HB2  GLN   6           HB2      GLN   6   1.702  -7.168   1.654
   39    HB3  GLN   6           HB3      GLN   6   3.388  -6.669   1.487
   40    HG2  GLN   6           HG2      GLN   6   3.497  -6.464   4.020
   41    HG3  GLN   6           HG3      GLN   6   1.848  -7.096   4.090
   42   HE21  GLN   6          HE22      GLN   6   1.497  -9.396   3.324
   43   HE22  GLN   6          HE21      GLN   6   2.879 -10.482   3.341
   44    H    GLU   7           H        GLU   7   1.834  -3.104   3.731
   45    HA   GLU   7           HA       GLU   7   4.717  -2.679   4.200
   46    HB2  GLU   7           HB2      GLU   7   4.095  -1.327   2.167
   47    HB3  GLU   7           HB3      GLU   7   2.911  -0.462   3.153
   48    HG2  GLU   7           HG2      GLU   7   4.862   0.185   4.702
   49    HG3  GLU   7           HG3      GLU   7   5.936  -0.524   3.496
   50    HA   PRO   8           HA       PRO   8   1.920  -2.154   7.852
   51    HB2  PRO   8           HB2      PRO   8   3.211  -3.710   9.671
   52    HB3  PRO   8           HB3      PRO   8   2.163  -4.388   8.391
   53    HG2  PRO   8           HG2      PRO   8   5.189  -4.134   8.381
   54    HG3  PRO   8           HG3      PRO   8   4.196  -5.562   7.962
   55    HD2  PRO   8           HD2      PRO   8   5.188  -3.837   6.075
   56    HD3  PRO   8           HD3      PRO   8   3.612  -4.656   5.867
   57    H    LYS   9           H        LYS   9   2.089  -0.292   8.887
   58    HA   LYS   9           HA       LYS   9   4.331   0.409  10.553
   59    HB2  LYS   9           HB2      LYS   9   5.254   2.228   9.469
   60    HB3  LYS   9           HB3      LYS   9   5.071   1.094   8.183
   61    HG2  LYS   9           HG2      LYS   9   3.108   3.375   8.695
   62    HG3  LYS   9           HG3      LYS   9   4.529   3.479   7.667
   63    HD2  LYS   9           HD2      LYS   9   3.644   1.622   6.239
   64    HD3  LYS   9           HD3      LYS   9   2.140   1.644   7.188
   65    HE2  LYS   9           HE2      LYS   9   1.758   4.003   6.605
   66    HE3  LYS   9           HE3      LYS   9   3.340   4.096   5.807
   67    HZ1  LYS   9           HZ1      LYS   9   2.574   2.496   4.174
   68    HZ2  LYS   9           HZ2      LYS   9   1.071   2.415   4.913
   69    HZ3  LYS   9           HZ3      LYS   9   1.577   3.799   4.202
   70    HA   PRO  10           HA       PRO  10   1.308   2.098  12.992
   71    HB2  PRO  10           HB2      PRO  10   2.147   4.449  14.121
   72    HB3  PRO  10           HB3      PRO  10   2.850   2.838  14.498
   73    HG2  PRO  10           HG2      PRO  10   3.872   4.900  12.537
   74    HG3  PRO  10           HG3      PRO  10   4.795   4.008  13.788
   75    HD2  PRO  10           HD2      PRO  10   4.769   3.224  11.212
   76    HD3  PRO  10           HD3      PRO  10   4.748   2.003  12.515
   77    H    GLY  11           H        GLY  11  -0.599   2.941  12.945
   78    HA2  GLY  11           HA2      GLY  11  -2.279   4.551  12.514
   79    HA3  GLY  11           HA3      GLY  11  -1.231   5.329  11.292
   80    H    ASP  12           H        ASP  12  -0.754   2.409  10.255
   81    HA   ASP  12           HA       ASP  12  -3.084   2.462   8.428
   82    HB2  ASP  12           HB2      ASP  12  -0.365   1.159   8.301
   83    HB3  ASP  12           HB3      ASP  12  -1.700   0.544   7.341
   84    H    LEU  13           H        LEU  13  -4.337   0.736   7.926
   85    HA   LEU  13           HA       LEU  13  -4.561  -1.349  10.031
   86    HB2  LEU  13           HB2      LEU  13  -6.924  -1.462   9.688
   87    HB3  LEU  13           HB3      LEU  13  -6.420   0.158  10.101
   88    HG   LEU  13           HG       LEU  13  -6.404   0.337   7.348
   89   HD11  LEU  13          HD11      LEU  13  -8.514  -0.698   6.554
   90   HD12  LEU  13          HD12      LEU  13  -7.329  -1.911   7.070
   91   HD13  LEU  13          HD13      LEU  13  -8.708  -1.512   8.118
   92   HD21  LEU  13          HD21      LEU  13  -8.544   1.540   7.595
   93   HD22  LEU  13          HD22      LEU  13  -8.765   0.828   9.213
   94   HD23  LEU  13          HD23      LEU  13  -7.422   1.955   8.905
   95    H    ILE  14           H        ILE  14  -4.811  -3.369   9.558
   96    HA   ILE  14           HA       ILE  14  -3.653  -4.247   6.941
   97    HB   ILE  14           HB       ILE  14  -3.150  -5.263   9.780
   98   HG12  ILE  14          HG12      ILE  14  -1.410  -3.334   8.182
   99   HG13  ILE  14          HG13      ILE  14  -2.338  -2.931   9.621
  100   HG21  ILE  14          HG21      ILE  14  -2.740  -6.878   7.878
  101   HG22  ILE  14          HG22      ILE  14  -1.542  -5.759   7.243
  102   HG23  ILE  14          HG23      ILE  14  -1.309  -6.524   8.833
  103   HD11  ILE  14          HD11      ILE  14  -0.052  -3.185  10.224
  104   HD12  ILE  14          HD12      ILE  14  -1.000  -4.478  10.979
  105   HD13  ILE  14          HD13      ILE  14   0.027  -4.828   9.562
  106    H    GLU  15           H        GLU  15  -4.681  -5.935   5.964
  107    HA   GLU  15           HA       GLU  15  -6.872  -7.392   7.375
  108    HB2  GLU  15           HB2      GLU  15  -7.282  -6.463   5.071
  109    HB3  GLU  15           HB3      GLU  15  -5.982  -7.495   4.463
  110    HG2  GLU  15           HG2      GLU  15  -7.269  -9.493   5.331
  111    HG3  GLU  15           HG3      GLU  15  -8.574  -8.392   5.794
  112    H    ILE  16           H        ILE  16  -6.257  -9.222   8.408
  113    HA   ILE  16           HA       ILE  16  -3.826 -10.724   7.464
  114    HB   ILE  16           HB       ILE  16  -4.880 -10.326  10.309
  115   HG12  ILE  16          HG12      ILE  16  -2.380  -9.148   9.014
  116   HG13  ILE  16          HG13      ILE  16  -3.861  -8.250   9.354
  117   HG21  ILE  16          HG21      ILE  16  -3.775 -12.505  10.048
  118   HG22  ILE  16          HG22      ILE  16  -2.391 -11.742   9.226
  119   HG23  ILE  16          HG23      ILE  16  -2.721 -11.441  10.943
  120   HD11  ILE  16          HD11      ILE  16  -3.577  -8.671  11.764
  121   HD12  ILE  16          HD12      ILE  16  -1.995  -9.422  11.430
  122   HD13  ILE  16          HD13      ILE  16  -2.264  -7.726  11.034
  123    H    PHE  17           H        PHE  17  -4.049 -12.880   7.095
  124    HA   PHE  17           HA       PHE  17  -6.652 -14.183   7.414
  125    HB2  PHE  17           HB2      PHE  17  -5.112 -14.420   5.439
  126    HB3  PHE  17           HB3      PHE  17  -3.979 -15.279   6.452
  127    HD1  PHE  17           HD1      PHE  17  -7.525 -15.333   5.215
  128    HD2  PHE  17           HD2      PHE  17  -4.206 -17.673   6.663
  129    HE1  PHE  17           HE1      PHE  17  -8.706 -17.409   4.560
  130    HE2  PHE  17           HE2      PHE  17  -5.384 -19.749   5.997
  131    HZ   PHE  17           HZ       PHE  17  -7.629 -19.623   4.927
  132    H    ARG  18           H        ARG  18  -6.514 -13.618   9.763
  133    HA   ARG  18           HA       ARG  18  -4.667 -14.544  11.614
  134    HB2  ARG  18           HB2      ARG  18  -6.664 -12.865  11.713
  135    HB3  ARG  18           HB3      ARG  18  -7.586 -14.206  12.350
  136    HG2  ARG  18           HG2      ARG  18  -4.985 -13.084  13.492
  137    HG3  ARG  18           HG3      ARG  18  -6.593 -12.636  14.036
  138    HD2  ARG  18           HD2      ARG  18  -6.997 -14.915  14.860
  139    HD3  ARG  18           HD3      ARG  18  -5.411 -15.422  14.286
  140    HE   ARG  18           HE       ARG  18  -5.991 -13.607  16.564
  141   HH11  ARG  18          HH11      ARG  18  -3.514 -15.393  14.764
  142   HH12  ARG  18          HH12      ARG  18  -2.262 -14.949  15.893
  143   HH21  ARG  18          HH21      ARG  18  -4.318 -13.186  18.038
  144   HH22  ARG  18          HH22      ARG  18  -2.735 -13.857  17.773
  145    H    LEU  19           H        LEU  19  -7.642 -16.313  10.708
  146    HA   LEU  19           HA       LEU  19  -6.546 -18.817  11.847
  147    HB2  LEU  19           HB2      LEU  19  -8.446 -19.010  13.460
  148    HB3  LEU  19           HB3      LEU  19  -7.222 -17.809  13.814
  149    HG   LEU  19           HG       LEU  19  -8.674 -15.987  13.171
  150   HD11  LEU  19          HD11      LEU  19 -10.085 -16.954  11.421
  151   HD12  LEU  19          HD12      LEU  19 -10.823 -18.067  12.604
  152   HD13  LEU  19          HD13      LEU  19 -11.090 -16.317  12.725
  153   HD21  LEU  19          HD21      LEU  19 -10.029 -17.925  15.080
  154   HD22  LEU  19          HD22      LEU  19  -8.694 -16.826  15.484
  155   HD23  LEU  19          HD23      LEU  19 -10.269 -16.163  15.023
  156    H    GLY  20           H        GLY  20  -7.081 -18.368   9.201
  157    HA2  GLY  20           HA2      GLY  20  -7.989 -19.744   7.515
  158    HA3  GLY  20           HA3      GLY  20  -9.232 -20.337   8.629
  159    H    TYR  21           H        TYR  21  -8.900 -16.936   8.634
  160    HA   TYR  21           HA       TYR  21 -10.819 -16.203   6.587
  161    HB2  TYR  21           HB2      TYR  21 -12.521 -17.093   7.839
  162    HB3  TYR  21           HB3      TYR  21 -11.665 -16.932   9.359
  163    HD1  TYR  21           HD2      TYR  21 -13.469 -14.859   6.772
  164    HD2  TYR  21           HD1      TYR  21 -12.209 -15.280  10.877
  165    HE1  TYR  21           HE2      TYR  21 -14.778 -12.824   7.390
  166    HE2  TYR  21           HE1      TYR  21 -13.540 -13.292  11.500
  167    HH   TYR  21           HH       TYR  21 -14.675 -11.490  10.724
  168    H    GLU  22           H        GLU  22 -10.617 -14.113   6.144
  169    HA   GLU  22           HA       GLU  22  -8.449 -12.634   7.177
  170    HB2  GLU  22           HB2      GLU  22 -10.737 -11.667   5.406
  171    HB3  GLU  22           HB3      GLU  22  -9.190 -10.884   5.661
  172    HG2  GLU  22           HG2      GLU  22  -8.692 -11.898   3.709
  173    HG3  GLU  22           HG3      GLU  22  -8.221 -13.215   4.775
  174    H    HIS  23           H        HIS  23  -8.263 -11.185   8.808
  175    HA   HIS  23           HA       HIS  23 -10.633  -9.632   9.706
  176    HB2  HIS  23           HB2      HIS  23  -9.509 -11.844  11.142
  177    HB3  HIS  23           HB3      HIS  23  -8.960 -10.396  11.975
  178    HD1  HIS  23           HD1      HIS  23 -10.637 -10.313  14.024
  179    HD2  HIS  23           HD2      HIS  23 -12.423 -11.064  10.305
  180    HE1  HIS  23           HE1      HIS  23 -13.163 -10.327  14.418
  181    H    TRP  24           H        TRP  24 -10.193  -7.627  10.747
  182    HA   TRP  24           HA       TRP  24  -7.792  -6.392   9.657
  183    HB2  TRP  24           HB2      TRP  24 -10.102  -5.221  11.222
  184    HB3  TRP  24           HB3      TRP  24  -8.797  -4.308  10.478
  185    HD1  TRP  24           HD1      TRP  24 -12.172  -5.418   9.852
  186    HE1  TRP  24           HE1      TRP  24 -12.889  -5.077   7.429
  187    HE3  TRP  24           HE3      TRP  24  -7.586  -4.476   7.807
  188    HZ2  TRP  24           HZ2      TRP  24 -11.638  -4.362   4.914
  189    HZ3  TRP  24           HZ3      TRP  24  -7.382  -3.907   5.401
  190    HH2  TRP  24           HH2      TRP  24  -9.394  -3.843   3.950
  191    H    ALA  25           H        ALA  25  -6.149  -5.399  10.693
  192    HA   ALA  25           HA       ALA  25  -6.210  -5.054  13.651
  193    HB1  ALA  25           HB1      ALA  25  -3.849  -6.121  12.053
  194    HB2  ALA  25           HB2      ALA  25  -3.913  -5.860  13.806
  195    HB3  ALA  25           HB3      ALA  25  -4.913  -7.118  13.069
  196    H    LEU  26           H        LEU  26  -5.388  -3.117  14.360
  197    HA   LEU  26           HA       LEU  26  -4.389  -1.111  12.373
  198    HB2  LEU  26           HB2      LEU  26  -6.499  -0.792  13.841
  199    HB3  LEU  26           HB3      LEU  26  -5.433  -0.735  15.221
  200    HG   LEU  26           HG       LEU  26  -6.047   1.460  14.703
  201   HD11  LEU  26          HD11      LEU  26  -4.054   2.692  14.342
  202   HD12  LEU  26          HD12      LEU  26  -3.595   1.217  15.202
  203   HD13  LEU  26          HD13      LEU  26  -3.293   1.371  13.452
  204   HD21  LEU  26          HD21      LEU  26  -5.117   1.047  11.826
  205   HD22  LEU  26          HD22      LEU  26  -6.814   1.084  12.367
  206   HD23  LEU  26          HD23      LEU  26  -5.804   2.532  12.499
  207    H    TYR  27           H        TYR  27  -2.202  -0.770  12.391
  208    HA   TYR  27           HA       TYR  27  -0.444  -1.759  14.499
  209    HB2  TYR  27           HB2      TYR  27  -0.098  -1.574  11.967
  210    HB3  TYR  27           HB3      TYR  27   0.163   0.129  12.215
  211    HD1  TYR  27           HD2      TYR  27   2.095   0.566  14.224
  212    HD2  TYR  27           HD1      TYR  27   1.747  -2.900  11.680
  213    HE1  TYR  27           HE2      TYR  27   4.545   0.281  14.285
  214    HE2  TYR  27           HE1      TYR  27   4.199  -3.247  11.829
  215    HH   TYR  27           HH       TYR  27   6.367  -0.953  13.509
  216    H    ILE  28           H        ILE  28  -0.297  -0.815  16.437
  217    HA   ILE  28           HA       ILE  28  -0.761   2.151  16.697
  218    HB   ILE  28           HB       ILE  28  -1.137   1.652  19.103
  219   HG12  ILE  28          HG12      ILE  28  -1.463  -1.282  18.420
  220   HG13  ILE  28          HG13      ILE  28   0.102  -0.664  18.957
  221   HG21  ILE  28          HG21      ILE  28  -2.959   1.935  17.419
  222   HG22  ILE  28          HG22      ILE  28  -3.034   0.168  17.246
  223   HG23  ILE  28          HG23      ILE  28  -3.413   0.944  18.803
  224   HD11  ILE  28          HD11      ILE  28  -2.456  -0.290  20.557
  225   HD12  ILE  28          HD12      ILE  28  -1.276  -1.595  20.811
  226   HD13  ILE  28          HD13      ILE  28  -0.797   0.092  21.062
  227    H    GLY  29           H        GLY  29   1.819  -0.136  17.048
  228    HA2  GLY  29           HA2      GLY  29   3.719   1.945  17.750
  229    HA3  GLY  29           HA3      GLY  29   3.430   0.811  19.073
  230    H    ASP  30           H        ASP  30   5.952   0.767  18.094
  231    HA   ASP  30           HA       ASP  30   6.399  -0.613  15.708
  232    HB2  ASP  30           HB2      ASP  30   8.086   0.724  16.871
  233    HB3  ASP  30           HB3      ASP  30   8.177  -0.468  18.171
  234    H    GLY  31           H        GLY  31   5.411  -2.461  15.272
  235    HA2  GLY  31           HA2      GLY  31   5.154  -4.749  15.126
  236    HA3  GLY  31           HA3      GLY  31   6.129  -4.976  16.606
  237    H    TYR  32           H        TYR  32   3.766  -2.750  17.385
  238    HA   TYR  32           HA       TYR  32   2.032  -4.864  18.589
  239    HB2  TYR  32           HB2      TYR  32   2.681  -2.018  19.353
  240    HB3  TYR  32           HB3      TYR  32   1.185  -2.755  19.892
  241    HD1  TYR  32           HD2      TYR  32   1.245  -5.004  21.103
  242    HD2  TYR  32           HD1      TYR  32   4.700  -2.471  20.591
  243    HE1  TYR  32           HE2      TYR  32   2.318  -6.079  23.072
  244    HE2  TYR  32           HE1      TYR  32   5.784  -3.552  22.553
  245    HH   TYR  32           HH       TYR  32   4.139  -6.101  24.468
  246    H    VAL  33           H        VAL  33  -0.103  -5.029  18.215
  247    HA   VAL  33           HA       VAL  33  -1.432  -3.036  16.447
  248    HB   VAL  33           HB       VAL  33  -2.548  -4.885  15.233
  249   HG11  VAL  33          HG11      VAL  33   0.475  -4.830  14.928
  250   HG12  VAL  33          HG12      VAL  33  -0.671  -5.517  13.757
  251   HG13  VAL  33          HG13      VAL  33  -0.721  -3.796  14.105
  252   HG21  VAL  33          HG21      VAL  33  -2.190  -6.761  16.831
  253   HG22  VAL  33          HG22      VAL  33  -1.632  -7.142  15.198
  254   HG23  VAL  33          HG23      VAL  33  -0.455  -6.729  16.452
  255    H    ILE  34           H        ILE  34  -3.668  -2.951  16.544
  256    HA   ILE  34           HA       ILE  34  -5.031  -4.350  18.848
  257    HB   ILE  34           HB       ILE  34  -5.751  -1.778  17.366
  258   HG12  ILE  34          HG12      ILE  34  -3.928  -1.318  18.812
  259   HG13  ILE  34          HG13      ILE  34  -5.382  -0.643  19.528
  260   HG21  ILE  34          HG21      ILE  34  -7.211  -3.194  19.649
  261   HG22  ILE  34          HG22      ILE  34  -7.577  -1.561  19.058
  262   HG23  ILE  34          HG23      ILE  34  -7.797  -2.946  17.995
  263   HD11  ILE  34          HD11      ILE  34  -5.405  -2.850  20.953
  264   HD12  ILE  34          HD12      ILE  34  -3.728  -3.015  20.407
  265   HD13  ILE  34          HD13      ILE  34  -4.218  -1.599  21.349
  266    H    HIS  35           H        HIS  35  -6.510  -5.915  18.207
  267    HA   HIS  35           HA       HIS  35  -7.640  -5.700  15.456
  268    HB2  HIS  35           HB2      HIS  35  -7.069  -7.931  14.878
  269    HB3  HIS  35           HB3      HIS  35  -5.579  -7.199  15.459
  270    HD1  HIS  35           HD1      HIS  35  -8.032  -9.991  16.260
  271    HD2  HIS  35           HD2      HIS  35  -4.688  -8.052  17.928
  272    HE1  HIS  35           HE1      HIS  35  -7.204 -11.485  18.162
  273    H    LEU  36           H        LEU  36  -9.555  -7.000  15.123
  274    HA   LEU  36           HA       LEU  36 -11.128  -7.408  17.600
  275    HB2  LEU  36           HB2      LEU  36 -12.024  -6.259  15.516
  276    HB3  LEU  36           HB3      LEU  36 -11.881  -7.795  14.667
  277    HG   LEU  36           HG       LEU  36 -13.462  -8.767  16.424
  278   HD11  LEU  36          HD11      LEU  36 -13.928  -5.811  17.063
  279   HD12  LEU  36          HD12      LEU  36 -14.884  -7.169  17.684
  280   HD13  LEU  36          HD13      LEU  36 -13.198  -6.994  18.162
  281   HD21  LEU  36          HD21      LEU  36 -15.484  -7.820  15.360
  282   HD22  LEU  36          HD22      LEU  36 -14.519  -6.479  14.712
  283   HD23  LEU  36          HD23      LEU  36 -14.232  -8.140  14.153
  284    H    ALA  37           H        ALA  37 -11.519  -9.407  18.463
  285    HA   ALA  37           HA       ALA  37 -10.530 -11.853  17.067
  286    HB1  ALA  37           HB1      ALA  37  -9.723 -11.478  19.359
  287    HB2  ALA  37           HB2      ALA  37 -11.392 -11.348  19.956
  288    HB3  ALA  37           HB3      ALA  37 -10.792 -12.891  19.301
  289    HA   PRO  38           HA       PRO  38 -14.858 -12.091  15.941
  290    HB2  PRO  38           HB2      PRO  38 -14.923 -14.441  14.530
  291    HB3  PRO  38           HB3      PRO  38 -14.105 -12.963  13.937
  292    HG2  PRO  38           HG2      PRO  38 -12.870 -15.337  15.368
  293    HG3  PRO  38           HG3      PRO  38 -12.312 -14.537  13.861
  294    HD2  PRO  38           HD2      PRO  38 -11.246 -13.946  16.308
  295    HD3  PRO  38           HD3      PRO  38 -11.454 -12.697  15.046
  296    HA   PRO  39           HA       PRO  39 -17.026 -14.778  18.822
  297    HB2  PRO  39           HB2      PRO  39 -19.009 -15.628  16.812
  298    HB3  PRO  39           HB3      PRO  39 -19.243 -14.696  18.308
  299    HG2  PRO  39           HG2      PRO  39 -19.407 -13.546  15.756
  300    HG3  PRO  39           HG3      PRO  39 -18.831 -12.631  17.167
  301    HD2  PRO  39           HD2      PRO  39 -17.207 -14.021  15.049
  302    HD3  PRO  39           HD3      PRO  39 -16.979 -12.404  15.772
  303    H    SER  40           H        SER  40 -17.284 -17.028  19.342
  304    HA   SER  40           HA       SER  40 -15.512 -18.741  17.676
  305    HB2  SER  40           HB2      SER  40 -16.584 -19.304  20.446
  306    HB3  SER  40           HB3      SER  40 -15.327 -20.185  19.582
  307    HG   SER  40           HG       SER  40 -14.015 -18.308  19.702
  308    H    GLU  41           H        GLU  41 -17.155 -18.921  15.980
  309    HA   GLU  41           HA       GLU  41 -19.425 -20.720  16.428
  310    HB2  GLU  41           HB2      GLU  41 -18.182 -19.644  13.865
  311    HB3  GLU  41           HB3      GLU  41 -19.668 -20.611  13.972
  312    HG2  GLU  41           HG2      GLU  41 -20.676 -18.853  15.438
  313    HG3  GLU  41           HG3      GLU  41 -19.242 -17.847  15.179
  314    H    TYR  42           H        TYR  42 -17.699 -22.101  17.586
  315    HA   TYR  42           HA       TYR  42 -15.881 -23.710  16.202
  316    HB2  TYR  42           HB2      TYR  42 -15.817 -23.357  18.583
  317    HB3  TYR  42           HB3      TYR  42 -17.351 -24.173  18.802
  318    HD1  TYR  42           HD1      TYR  42 -13.793 -24.680  17.788
  319    HD2  TYR  42           HD2      TYR  42 -17.471 -26.545  19.058
  320    HE1  TYR  42           HE1      TYR  42 -12.590 -26.842  18.093
  321    HE2  TYR  42           HE2      TYR  42 -16.276 -28.703  19.371
  322    HH   TYR  42           HH       TYR  42 -14.263 -29.805  19.225
  323    HA   PRO  43           HA       PRO  43 -18.964 -27.289  15.664
  324    HB2  PRO  43           HB2      PRO  43 -21.657 -26.976  15.907
  325    HB3  PRO  43           HB3      PRO  43 -20.591 -27.229  17.322
  326    HG2  PRO  43           HG2      PRO  43 -21.638 -24.599  16.229
  327    HG3  PRO  43           HG3      PRO  43 -21.669 -25.181  17.927
  328    HD2  PRO  43           HD2      PRO  43 -19.727 -23.510  16.986
  329    HD3  PRO  43           HD3      PRO  43 -19.363 -24.762  18.204
  330    H    GLY  44           H        GLY  44 -20.262 -28.032  13.831
  331    HA2  GLY  44           HA2      GLY  44 -19.980 -26.341  11.465
  332    HA3  GLY  44           HA3      GLY  44 -20.552 -28.030  11.535
  333    H    ALA  45           H        ALA  45 -21.734 -25.010  12.991
  334    HA   ALA  45           HA       ALA  45 -24.503 -25.690  12.691
  335    HB1  ALA  45           HB1      ALA  45 -24.822 -23.429  13.720
  336    HB2  ALA  45           HB2      ALA  45 -23.634 -24.412  14.593
  337    HB3  ALA  45           HB3      ALA  45 -23.094 -23.110  13.506
  338    H    GLY  46           H        GLY  46 -26.170 -24.429  11.756
  339    HA2  GLY  46           HA2      GLY  46 -26.512 -22.458  10.059
  340    HA3  GLY  46           HA3      GLY  46 -25.586 -23.505   8.979
  341    H    SER  47           H        SER  47 -27.063 -24.305   7.555
  342    HA   SER  47           HA       SER  47 -29.782 -25.087   8.232
  343    HB2  SER  47           HB2      SER  47 -28.108 -25.759   5.781
  344    HB3  SER  47           HB3      SER  47 -29.867 -25.891   5.928
  345    HG   SER  47           HG       SER  47 -29.221 -23.956   4.873
  346    H    SER  48           H        SER  48 -26.964 -26.586   9.086
  347    HA   SER  48           HA       SER  48 -27.540 -29.403   8.633
  348    HB2  SER  48           HB2      SER  48 -25.530 -29.620  10.145
  349    HB3  SER  48           HB3      SER  48 -25.255 -28.587   8.735
  350    HG   SER  48           HG       SER  48 -24.468 -27.584  10.641
  351    H    SER  49           H        SER  49 -27.469 -30.892  10.627
  352    HA   SER  49           HA       SER  49 -29.719 -30.431  12.340
  353    HB2  SER  49           HB2      SER  49 -27.589 -32.592  12.520
  354    HB3  SER  49           HB3      SER  49 -29.228 -32.643  13.187
  355    HG   SER  49           HG       SER  49 -29.069 -33.772  11.198
  356    H    VAL  50           H        VAL  50 -27.807 -28.371  12.825
  357    HA   VAL  50           HA       VAL  50 -27.529 -28.365  15.688
  358    HB   VAL  50           HB       VAL  50 -25.631 -29.817  15.316
  359   HG11  VAL  50          HG11      VAL  50 -25.090 -29.299  12.960
  360   HG12  VAL  50          HG12      VAL  50 -24.449 -27.719  13.462
  361   HG13  VAL  50          HG13      VAL  50 -23.664 -29.209  14.004
  362   HG21  VAL  50          HG21      VAL  50 -24.546 -27.036  15.898
  363   HG22  VAL  50          HG22      VAL  50 -25.439 -28.048  17.064
  364   HG23  VAL  50          HG23      VAL  50 -23.879 -28.594  16.424
  365    H    PHE  51           H        PHE  51 -27.258 -26.336  16.476
  366    HA   PHE  51           HA       PHE  51 -26.813 -24.055  14.617
  367    HB2  PHE  51           HB2      PHE  51 -28.933 -23.064  15.387
  368    HB3  PHE  51           HB3      PHE  51 -29.170 -24.575  14.540
  369    HD1  PHE  51           HD2      PHE  51 -29.992 -26.587  15.695
  370    HD2  PHE  51           HD1      PHE  51 -29.408 -22.879  17.819
  371    HE1  PHE  51           HE2      PHE  51 -31.310 -27.474  17.600
  372    HE2  PHE  51           HE1      PHE  51 -30.724 -23.767  19.727
  373    HZ   PHE  51           HZ       PHE  51 -31.670 -26.070  19.626
  374    H    SER  52           H        SER  52 -25.377 -25.258  17.100
  375    HA   SER  52           HA       SER  52 -25.678 -23.142  19.129
  376    HB2  SER  52           HB2      SER  52 -25.488 -25.580  19.669
  377    HB3  SER  52           HB3      SER  52 -23.804 -25.531  19.113
  378    HG   SER  52           HG       SER  52 -24.173 -25.212  21.444
  379    H    VAL  53           H        VAL  53 -23.264 -22.853  20.186
  380    HA   VAL  53           HA       VAL  53 -21.185 -21.845  18.468
  381    HB   VAL  53           HB       VAL  53 -22.848 -20.128  17.912
  382   HG11  VAL  53          HG11      VAL  53 -22.903 -19.340  20.853
  383   HG12  VAL  53          HG12      VAL  53 -23.741 -18.545  19.504
  384   HG13  VAL  53          HG13      VAL  53 -24.222 -20.170  19.988
  385   HG21  VAL  53          HG21      VAL  53 -20.486 -19.471  17.985
  386   HG22  VAL  53          HG22      VAL  53 -21.565 -18.128  18.386
  387   HG23  VAL  53          HG23      VAL  53 -20.678 -18.952  19.678
  388    H    LEU  54           H        LEU  54 -19.330 -21.378  19.672
  389    HA   LEU  54           HA       LEU  54 -19.443 -22.318  22.468
  390    HB2  LEU  54           HB2      LEU  54 -17.954 -23.288  20.834
  391    HB3  LEU  54           HB3      LEU  54 -17.132 -21.762  20.549
  392    HG   LEU  54           HG       LEU  54 -17.190 -22.881  23.362
  393   HD11  LEU  54          HD11      LEU  54 -15.185 -24.253  22.876
  394   HD12  LEU  54          HD12      LEU  54 -16.586 -24.824  21.963
  395   HD13  LEU  54          HD13      LEU  54 -15.335 -23.864  21.149
  396   HD21  LEU  54          HD21      LEU  54 -14.936 -21.871  23.473
  397   HD22  LEU  54          HD22      LEU  54 -15.015 -21.443  21.755
  398   HD23  LEU  54          HD23      LEU  54 -16.092 -20.657  22.922
  399    H    SER  55           H        SER  55 -18.888 -19.259  20.782
  400    HA   SER  55           HA       SER  55 -19.181 -17.860  23.342
  401    HB2  SER  55           HB2      SER  55 -16.678 -18.284  23.090
  402    HB3  SER  55           HB3      SER  55 -16.733 -17.203  21.685
  403    HG   SER  55           HG       SER  55 -16.204 -16.123  23.667
  404    H    ASN  56           H        ASN  56 -20.472 -16.221  23.139
  405    HA   ASN  56           HA       ASN  56 -21.397 -15.376  20.508
  406    HB2  ASN  56           HB2      ASN  56 -22.254 -14.579  23.322
  407    HB3  ASN  56           HB3      ASN  56 -23.070 -14.107  21.837
  408   HD21  ASN  56          HD22      ASN  56 -24.275 -15.739  20.610
  409   HD22  ASN  56          HD21      ASN  56 -24.701 -17.254  21.383
  410    H    SER  57           H        SER  57 -21.053 -13.518  19.521
  411    HA   SER  57           HA       SER  57 -20.480 -11.402  18.973
  412    HB2  SER  57           HB2      SER  57 -19.895 -10.717  21.863
  413    HB3  SER  57           HB3      SER  57 -20.232  -9.625  20.504
  414    HG   SER  57           HG       SER  57 -22.067 -10.038  21.919
  415    H    ALA  58           H        ALA  58 -18.634  -9.898  18.703
  416    HA   ALA  58           HA       ALA  58 -16.021 -11.301  18.880
  417    HB1  ALA  58           HB1      ALA  58 -15.328  -9.661  17.234
  418    HB2  ALA  58           HB2      ALA  58 -16.858 -10.352  16.698
  419    HB3  ALA  58           HB3      ALA  58 -16.825  -8.731  17.446
  420    H    GLU  59           H        GLU  59 -14.125  -9.927  19.512
  421    HA   GLU  59           HA       GLU  59 -14.704  -7.781  21.494
  422    HB2  GLU  59           HB2      GLU  59 -14.759  -9.972  22.663
  423    HB3  GLU  59           HB3      GLU  59 -13.102 -10.288  22.132
  424    HG2  GLU  59           HG2      GLU  59 -12.298  -8.338  23.418
  425    HG3  GLU  59           HG3      GLU  59 -13.952  -7.919  23.864
  426    H    VAL  60           H        VAL  60 -13.136  -6.219  21.604
  427    HA   VAL  60           HA       VAL  60 -10.960  -6.322  19.607
  428    HB   VAL  60           HB       VAL  60 -11.817  -4.127  21.511
  429   HG11  VAL  60          HG11      VAL  60  -9.473  -3.761  20.855
  430   HG12  VAL  60          HG12      VAL  60  -9.875  -4.067  19.150
  431   HG13  VAL  60          HG13      VAL  60 -10.495  -2.624  19.978
  432   HG21  VAL  60          HG21      VAL  60 -12.790  -3.076  19.467
  433   HG22  VAL  60          HG22      VAL  60 -12.385  -4.540  18.550
  434   HG23  VAL  60          HG23      VAL  60 -13.574  -4.605  19.867
  435    H    LYS  61           H        LYS  61  -8.895  -6.754  19.999
  436    HA   LYS  61           HA       LYS  61  -7.857  -6.925  22.811
  437    HB2  LYS  61           HB2      LYS  61  -7.210  -8.794  20.495
  438    HB3  LYS  61           HB3      LYS  61  -6.779  -9.020  22.180
  439    HG2  LYS  61           HG2      LYS  61  -9.553  -9.208  20.949
  440    HG3  LYS  61           HG3      LYS  61  -8.550 -10.551  21.439
  441    HD2  LYS  61           HD2      LYS  61  -9.612  -8.479  23.409
  442    HD3  LYS  61           HD3      LYS  61 -10.448  -9.972  22.979
  443    HE2  LYS  61           HE2      LYS  61  -8.615 -11.332  23.797
  444    HE3  LYS  61           HE3      LYS  61  -7.627  -9.906  24.154
  445    HZ1  LYS  61           HZ1      LYS  61  -9.159  -9.277  25.865
  446    HZ2  LYS  61           HZ2      LYS  61 -10.290 -10.363  25.409
  447    HZ3  LYS  61           HZ3      LYS  61  -8.878 -10.871  26.103
  448    H    ARG  62           H        ARG  62  -5.652  -6.545  23.150
  449    HA   ARG  62           HA       ARG  62  -4.079  -5.242  20.964
  450    HB2  ARG  62           HB2      ARG  62  -4.232  -3.960  23.046
  451    HB3  ARG  62           HB3      ARG  62  -3.624  -5.327  23.980
  452    HG2  ARG  62           HG2      ARG  62  -1.455  -5.208  22.858
  453    HG3  ARG  62           HG3      ARG  62  -2.044  -3.974  21.740
  454    HD2  ARG  62           HD2      ARG  62  -2.284  -2.369  23.562
  455    HD3  ARG  62           HD3      ARG  62  -1.844  -3.611  24.758
  456    HE   ARG  62           HE       ARG  62   0.271  -3.578  22.950
  457   HH11  ARG  62          HH21      ARG  62  -1.125  -1.209  25.179
  458   HH12  ARG  62          HH22      ARG  62   0.392  -0.398  25.414
  459   HH21  ARG  62          HH11      ARG  62   2.201  -2.476  23.291
  460   HH22  ARG  62          HH12      ARG  62   2.245  -1.107  24.355
  461    H    GLU  63           H        GLU  63  -2.212  -6.180  20.179
  462    HA   GLU  63           HA       GLU  63  -0.977  -8.542  21.353
  463    HB2  GLU  63           HB2      GLU  63  -3.130  -9.409  20.342
  464    HB3  GLU  63           HB3      GLU  63  -2.589  -8.816  18.780
  465    HG2  GLU  63           HG2      GLU  63  -2.326 -11.265  19.137
  466    HG3  GLU  63           HG3      GLU  63  -0.838 -10.455  18.689
  467    H    ARG  64           H        ARG  64   0.746  -9.423  19.797
  468    HA   ARG  64           HA       ARG  64   2.093  -7.174  18.403
  469    HB2  ARG  64           HB2      ARG  64   3.047  -9.983  19.081
  470    HB3  ARG  64           HB3      ARG  64   4.013  -8.729  18.284
  471    HG2  ARG  64           HG2      ARG  64   3.735  -7.244  20.263
  472    HG3  ARG  64           HG3      ARG  64   2.818  -8.517  21.085
  473    HD2  ARG  64           HD2      ARG  64   4.830 -10.041  20.826
  474    HD3  ARG  64           HD3      ARG  64   5.711  -8.685  20.132
  475    HE   ARG  64           HE       ARG  64   5.953  -7.717  22.213
  476   HH11  ARG  64          HH21      ARG  64   3.606 -10.348  22.583
  477   HH12  ARG  64          HH22      ARG  64   3.769 -10.375  24.311
  478   HH21  ARG  64          HH11      ARG  64   6.123  -7.818  24.451
  479   HH22  ARG  64          HH12      ARG  64   5.164  -8.949  25.354
  480    H    LEU  65           H        LEU  65   2.555  -7.151  16.211
  481    HA   LEU  65           HA       LEU  65   0.691  -8.244  14.412
  482    HB2  LEU  65           HB2      LEU  65   2.110  -6.257  13.970
  483    HB3  LEU  65           HB3      LEU  65   3.550  -7.266  13.915
  484    HG   LEU  65           HG       LEU  65   2.658  -8.417  11.877
  485   HD11  LEU  65          HD11      LEU  65   0.750  -7.485  10.650
  486   HD12  LEU  65          HD12      LEU  65   0.204  -8.034  12.236
  487   HD13  LEU  65          HD13      LEU  65   0.460  -6.303  11.938
  488   HD21  LEU  65          HD21      LEU  65   4.183  -6.490  11.694
  489   HD22  LEU  65          HD22      LEU  65   3.034  -6.525  10.346
  490   HD23  LEU  65          HD23      LEU  65   2.793  -5.379  11.680
  491    H    GLU  66           H        GLU  66   4.019  -9.465  15.032
  492    HA   GLU  66           HA       GLU  66   3.945 -11.651  13.287
  493    HB2  GLU  66           HB2      GLU  66   5.768 -12.584  14.567
  494    HB3  GLU  66           HB3      GLU  66   5.972 -10.847  14.373
  495    HG2  GLU  66           HG2      GLU  66   5.132 -10.512  16.716
  496    HG3  GLU  66           HG3      GLU  66   5.015 -12.264  16.899
  497    H    ASP  67           H        ASP  67   2.407 -11.474  16.513
  498    HA   ASP  67           HA       ASP  67   1.788 -14.352  16.556
  499    HB2  ASP  67           HB2      ASP  67   2.102 -13.110  18.657
  500    HB3  ASP  67           HB3      ASP  67   0.767 -12.037  18.240
  501    H    VAL  68           H        VAL  68   0.026 -11.286  15.917
  502    HA   VAL  68           HA       VAL  68  -2.449 -12.517  15.272
  503    HB   VAL  68           HB       VAL  68  -1.536  -9.890  14.105
  504   HG11  VAL  68          HG11      VAL  68  -3.602 -10.810  13.032
  505   HG12  VAL  68          HG12      VAL  68  -4.327 -11.035  14.637
  506   HG13  VAL  68          HG13      VAL  68  -3.979  -9.407  14.029
  507   HG21  VAL  68          HG21      VAL  68  -1.379  -9.713  16.518
  508   HG22  VAL  68          HG22      VAL  68  -2.899  -8.950  16.049
  509   HG23  VAL  68          HG23      VAL  68  -2.918 -10.577  16.741
  510    H    VAL  69           H        VAL  69   0.328 -11.872  13.217
  511    HA   VAL  69           HA       VAL  69  -0.942 -12.881  10.800
  512    HB   VAL  69           HB       VAL  69   1.927 -12.171  11.485
  513   HG11  VAL  69          HG11      VAL  69   0.719 -12.882   8.785
  514   HG12  VAL  69          HG12      VAL  69   2.331 -12.175   9.036
  515   HG13  VAL  69          HG13      VAL  69   1.986 -13.796   9.635
  516   HG21  VAL  69          HG21      VAL  69   1.425 -10.137  10.199
  517   HG22  VAL  69          HG22      VAL  69  -0.189 -10.757   9.787
  518   HG23  VAL  69          HG23      VAL  69   0.183 -10.327  11.455
  519    H    GLY  70           H        GLY  70   1.510 -14.306  13.098
  520    HA2  GLY  70           HA2      GLY  70   1.960 -16.494  13.585
  521    HA3  GLY  70           HA3      GLY  70   0.364 -16.881  12.911
  522    H    GLY  71           H        GLY  71   2.685 -15.443  10.761
  523    HA2  GLY  71           HA2      GLY  71   4.025 -16.361   9.064
  524    HA3  GLY  71           HA3      GLY  71   3.514 -18.001   9.524
  525    H    CYS  72           H        CYS  72   0.664 -16.334   9.283
  526    HA   CYS  72           HA       CYS  72  -0.014 -17.418   6.669
  527    HB2  CYS  72           HB2      CYS  72  -1.580 -15.616   8.576
  528    HB3  CYS  72           HB3      CYS  72  -2.250 -16.497   7.206
  529    HG   CYS  72           HG       CYS  72  -2.962 -17.660   9.421
  530    H    CYS  73           H        CYS  73  -1.406 -15.952   5.187
  531    HA   CYS  73           HA       CYS  73   0.171 -13.769   4.141
  532    HB2  CYS  73           HB2      CYS  73  -2.663 -14.728   3.493
  533    HB3  CYS  73           HB3      CYS  73  -1.737 -13.563   2.534
  534    HG   CYS  73           HG       CYS  73  -1.699 -15.901   1.316
  535    H    TYR  74           H        TYR  74  -0.299 -11.584   4.008
  536    HA   TYR  74           HA       TYR  74  -2.676 -10.445   5.187
  537    HB2  TYR  74           HB2      TYR  74  -1.688  -9.078   6.876
  538    HB3  TYR  74           HB3      TYR  74  -1.301 -10.749   7.226
  539    HD1  TYR  74           HD1      TYR  74   1.058 -11.605   6.697
  540    HD2  TYR  74           HD2      TYR  74  -0.007  -7.430   6.626
  541    HE1  TYR  74           HE1      TYR  74   3.454 -10.993   6.959
  542    HE2  TYR  74           HE2      TYR  74   2.380  -6.809   6.914
  543    HH   TYR  74           HH       TYR  74   4.553  -7.588   7.130
  544    H    ARG  75           H        ARG  75  -2.964  -8.201   4.790
  545    HA   ARG  75           HA       ARG  75  -1.239  -6.935   2.705
  546    HB2  ARG  75           HB2      ARG  75  -4.273  -7.271   2.467
  547    HB3  ARG  75           HB3      ARG  75  -3.240  -6.324   1.405
  548    HG2  ARG  75           HG2      ARG  75  -3.385  -8.194   0.133
  549    HG3  ARG  75           HG3      ARG  75  -1.941  -8.596   1.056
  550    HD2  ARG  75           HD2      ARG  75  -3.230 -10.566   1.121
  551    HD3  ARG  75           HD3      ARG  75  -3.559  -9.821   2.681
  552    HE   ARG  75           HE       ARG  75  -5.773  -9.385   2.069
  553   HH11  ARG  75          HH21      ARG  75  -4.133 -10.609  -0.853
  554   HH12  ARG  75          HH22      ARG  75  -5.652 -10.783  -1.683
  555   HH21  ARG  75          HH11      ARG  75  -7.525  -9.616   1.031
  556   HH22  ARG  75          HH12      ARG  75  -7.613 -10.221  -0.626
  557    H    VAL  76           H        VAL  76  -1.685  -4.600   2.477
  558    HA   VAL  76           HA       VAL  76  -2.931  -3.412   4.968
  559    HB   VAL  76           HB       VAL  76  -0.378  -2.402   3.659
  560   HG11  VAL  76          HG11      VAL  76  -0.226  -1.023   5.729
  561   HG12  VAL  76          HG12      VAL  76  -1.695  -0.639   4.825
  562   HG13  VAL  76          HG13      VAL  76  -1.788  -1.664   6.271
  563   HG21  VAL  76          HG21      VAL  76  -0.758  -4.047   6.180
  564   HG22  VAL  76          HG22      VAL  76   0.120  -4.544   4.732
  565   HG23  VAL  76          HG23      VAL  76   0.746  -3.233   5.735
  566    H    ASN  77           H        ASN  77  -4.412  -1.941   4.611
  567    HA   ASN  77           HA       ASN  77  -4.471  -0.120   2.362
  568    HB2  ASN  77           HB2      ASN  77  -5.125  -2.187   1.170
  569    HB3  ASN  77           HB3      ASN  77  -6.391  -2.493   2.352
  570   HD21  ASN  77          HD22      ASN  77  -7.544  -2.572   0.102
  571   HD22  ASN  77          HD21      ASN  77  -8.245  -1.055  -0.428
  572    H    ASN  78           H        ASN  78  -5.222   1.651   3.385
  573    HA   ASN  78           HA       ASN  78  -7.166   1.474   5.596
  574    HB2  ASN  78           HB2      ASN  78  -5.812   3.926   4.423
  575    HB3  ASN  78           HB3      ASN  78  -6.804   3.827   5.886
  576   HD21  ASN  78          HD22      ASN  78  -4.635   5.037   6.424
  577   HD22  ASN  78          HD21      ASN  78  -3.336   3.995   7.019
  578    H    SER  79           H        SER  79  -8.597   0.473   4.100
  579    HA   SER  79           HA       SER  79  -9.663   0.980   1.775
  580    HB2  SER  79           HB2      SER  79 -11.877   0.151   2.600
  581    HB3  SER  79           HB3      SER  79 -10.479  -0.800   3.130
  582    HG   SER  79           HG       SER  79 -11.881  -0.436   4.862
  583    H    LEU  80           H        LEU  80 -11.417   2.604   4.426
  584    HA   LEU  80           HA       LEU  80 -12.631   4.477   2.484
  585    HB2  LEU  80           HB2      LEU  80 -12.868   4.298   5.516
  586    HB3  LEU  80           HB3      LEU  80 -13.766   5.402   4.497
  587    HG   LEU  80           HG       LEU  80 -14.007   2.374   4.519
  588   HD11  LEU  80          HD11      LEU  80 -15.101   3.672   6.360
  589   HD12  LEU  80          HD12      LEU  80 -15.998   4.601   5.150
  590   HD13  LEU  80          HD13      LEU  80 -16.273   2.848   5.316
  591   HD21  LEU  80          HD21      LEU  80 -15.883   2.741   2.854
  592   HD22  LEU  80          HD22      LEU  80 -15.282   4.403   2.624
  593   HD23  LEU  80          HD23      LEU  80 -14.266   3.012   2.194
  594    H    ASP  81           H        ASP  81  -9.942   4.684   4.720
  595    HA   ASP  81           HA       ASP  81  -9.804   7.522   4.915
  596    HB2  ASP  81           HB2      ASP  81  -8.537   5.711   6.246
  597    HB3  ASP  81           HB3      ASP  81  -7.466   5.610   4.843
  598    H    HIS  82           H        HIS  82  -8.542   5.222   2.550
  599    HA   HIS  82           HA       HIS  82  -7.145   6.969   0.784
  600    HB2  HIS  82           HB2      HIS  82  -7.062   4.490   0.764
  601    HB3  HIS  82           HB3      HIS  82  -8.758   4.419   0.289
  602    HD1  HIS  82           HD1      HIS  82  -9.310   4.902  -2.307
  603    HD2  HIS  82           HD2      HIS  82  -5.265   5.182  -1.155
  604    HE1  HIS  82           HE1      HIS  82  -7.950   4.944  -4.459
  605    H    GLU  83           H        GLU  83 -10.632   6.580   1.255
  606    HA   GLU  83           HA       GLU  83 -11.287   7.602  -1.410
  607    HB2  GLU  83           HB2      GLU  83 -13.104   6.792   0.886
  608    HB3  GLU  83           HB3      GLU  83 -13.634   7.246  -0.727
  609    HG2  GLU  83           HG2      GLU  83 -11.914   4.844  -0.033
  610    HG3  GLU  83           HG3      GLU  83 -13.620   4.817  -0.454
  611    H    TYR  84           H        TYR  84 -11.222   8.864   1.880
  612    HA   TYR  84           HA       TYR  84 -12.654  11.333   0.948
  613    HB2  TYR  84           HB2      TYR  84 -12.326  10.318   3.763
  614    HB3  TYR  84           HB3      TYR  84 -13.449  11.537   3.196
  615    HD1  TYR  84           HD2      TYR  84 -14.679  10.037   0.822
  616    HD2  TYR  84           HD1      TYR  84 -13.673   8.801   4.831
  617    HE1  TYR  84           HE2      TYR  84 -16.443   8.278   0.732
  618    HE2  TYR  84           HE1      TYR  84 -15.424   7.064   4.753
  619    HH   TYR  84           HH       TYR  84 -17.056   6.074   3.502
  620    H    GLN  85           H        GLN  85  -9.659  10.476   2.766
  621    HA   GLN  85           HA       GLN  85  -9.621  13.268   3.795
  622    HB2  GLN  85           HB2      GLN  85  -9.918  12.265   6.030
  623    HB3  GLN  85           HB3      GLN  85 -11.242  11.896   4.923
  624    HG2  GLN  85           HG2      GLN  85 -10.192   9.624   4.517
  625    HG3  GLN  85           HG3      GLN  85  -8.972  10.023   5.720
  626   HE21  GLN  85          HE22      GLN  85  -9.504   8.430   7.260
  627   HE22  GLN  85          HE21      GLN  85 -11.094   8.458   8.076
  628    HA   PRO  86           HA       PRO  86  -5.328  12.423   5.110
  629    HB2  PRO  86           HB2      PRO  86  -4.739  14.745   6.304
  630    HB3  PRO  86           HB3      PRO  86  -5.186  14.724   4.567
  631    HG2  PRO  86           HG2      PRO  86  -6.978  15.342   6.953
  632    HG3  PRO  86           HG3      PRO  86  -6.781  16.302   5.452
  633    HD2  PRO  86           HD2      PRO  86  -8.795  14.423   5.835
  634    HD3  PRO  86           HD3      PRO  86  -8.121  14.850   4.234
  635    H    ARG  87           H        ARG  87  -7.985  12.360   7.157
  636    HA   ARG  87           HA       ARG  87  -8.037  12.787   9.515
  637    HB2  ARG  87           HB2      ARG  87  -9.045  10.795   8.209
  638    HB3  ARG  87           HB3      ARG  87  -7.840   9.811   9.005
  639    HG2  ARG  87           HG2      ARG  87  -9.877   9.597  10.209
  640    HG3  ARG  87           HG3      ARG  87  -8.797  10.549  11.224
  641    HD2  ARG  87           HD2      ARG  87 -11.120  11.351  11.243
  642    HD3  ARG  87           HD3      ARG  87 -10.017  12.597  10.664
  643    HE   ARG  87           HE       ARG  87 -11.796  10.890   8.936
  644   HH11  ARG  87          HH21      ARG  87 -10.379  14.133   9.489
  645   HH12  ARG  87          HH22      ARG  87 -11.215  14.798   8.126
  646   HH21  ARG  87          HH11      ARG  87 -12.676  11.817   7.135
  647   HH22  ARG  87          HH12      ARG  87 -12.601  13.552   6.889
  648    HA   PRO  88           HA       PRO  88  -4.123  12.669  11.516
  649    HB2  PRO  88           HB2      PRO  88  -4.802  13.167  14.140
  650    HB3  PRO  88           HB3      PRO  88  -4.871  14.388  12.830
  651    HG2  PRO  88           HG2      PRO  88  -7.147  12.623  13.819
  652    HG3  PRO  88           HG3      PRO  88  -7.134  14.414  13.653
  653    HD2  PRO  88           HD2      PRO  88  -8.166  12.865  11.742
  654    HD3  PRO  88           HD3      PRO  88  -7.110  14.232  11.263
  655    H    VAL  89           H        VAL  89  -2.885  10.997  11.843
  656    HA   VAL  89           HA       VAL  89  -3.861   8.413  12.481
  657    HB   VAL  89           HB       VAL  89  -1.127   9.618  12.100
  658   HG11  VAL  89          HG11      VAL  89  -0.156   7.283  12.121
  659   HG12  VAL  89          HG12      VAL  89  -0.534   7.963  13.705
  660   HG13  VAL  89          HG13      VAL  89  -1.628   6.765  12.981
  661   HG21  VAL  89          HG21      VAL  89  -1.156   8.188  10.091
  662   HG22  VAL  89          HG22      VAL  89  -2.718   7.500  10.590
  663   HG23  VAL  89          HG23      VAL  89  -2.598   9.213  10.150
  664    H    GLU  90           H        GLU  90  -2.265  10.777  14.627
  665    HA   GLU  90           HA       GLU  90  -1.836   9.005  16.830
  666    HB2  GLU  90           HB2      GLU  90  -2.499  11.988  16.959
  667    HB3  GLU  90           HB3      GLU  90  -1.721  11.011  18.219
  668    HG2  GLU  90           HG2      GLU  90   0.167  10.572  16.598
  669    HG3  GLU  90           HG3      GLU  90  -0.590  11.732  15.493
  670    H    VAL  91           H        VAL  91  -4.726  10.807  15.835
  671    HA   VAL  91           HA       VAL  91  -6.220  10.235  18.265
  672    HB   VAL  91           HB       VAL  91  -7.258  11.116  15.551
  673   HG11  VAL  91          HG11      VAL  91  -8.539  11.252  18.311
  674   HG12  VAL  91          HG12      VAL  91  -9.190  12.016  16.848
  675   HG13  VAL  91          HG13      VAL  91  -9.088  10.259  16.946
  676   HG21  VAL  91          HG21      VAL  91  -5.595  12.736  16.427
  677   HG22  VAL  91          HG22      VAL  91  -7.225  13.408  16.516
  678   HG23  VAL  91          HG23      VAL  91  -6.446  12.772  17.983
  679    H    ILE  92           H        ILE  92  -6.026   8.702  14.996
  680    HA   ILE  92           HA       ILE  92  -7.986   6.643  15.581
  681    HB   ILE  92           HB       ILE  92  -5.704   6.702  13.560
  682   HG12  ILE  92          HG12      ILE  92  -8.694   7.292  13.259
  683   HG13  ILE  92          HG13      ILE  92  -7.454   8.526  13.345
  684   HG21  ILE  92          HG21      ILE  92  -6.460   4.371  14.018
  685   HG22  ILE  92          HG22      ILE  92  -8.143   4.856  13.718
  686   HG23  ILE  92          HG23      ILE  92  -6.941   4.883  12.408
  687   HD11  ILE  92          HD11      ILE  92  -6.404   7.643  11.282
  688   HD12  ILE  92          HD12      ILE  92  -7.785   6.507  11.106
  689   HD13  ILE  92          HD13      ILE  92  -8.047   8.258  11.074
  690    H    ILE  93           H        ILE  93  -4.402   6.719  16.004
  691    HA   ILE  93           HA       ILE  93  -4.254   4.062  17.142
  692    HB   ILE  93           HB       ILE  93  -2.470   6.527  17.290
  693   HG12  ILE  93          HG12      ILE  93  -2.121   3.812  15.915
  694   HG13  ILE  93          HG13      ILE  93  -2.730   5.256  15.120
  695   HG21  ILE  93          HG21      ILE  93  -2.072   5.329  19.387
  696   HG22  ILE  93          HG22      ILE  93  -1.903   3.796  18.512
  697   HG23  ILE  93          HG23      ILE  93  -0.710   5.095  18.312
  698   HD11  ILE  93          HD11      ILE  93   0.068   4.885  16.241
  699   HD12  ILE  93          HD12      ILE  93  -0.423   5.057  14.560
  700   HD13  ILE  93          HD13      ILE  93  -0.592   6.438  15.661
  701    H    SER  94           H        SER  94  -4.721   7.257  18.726
  702    HA   SER  94           HA       SER  94  -4.872   6.238  21.385
  703    HB2  SER  94           HB2      SER  94  -6.352   8.633  20.211
  704    HB3  SER  94           HB3      SER  94  -6.064   8.315  21.929
  705    HG   SER  94           HG       SER  94  -4.176   8.935  19.888
  706    H    SER  95           H        SER  95  -7.448   6.659  18.935
  707    HA   SER  95           HA       SER  95  -9.646   5.713  20.482
  708    HB2  SER  95           HB2      SER  95  -9.774   6.964  18.333
  709    HB3  SER  95           HB3      SER  95  -9.142   5.545  17.484
  710    HG   SER  95           HG       SER  95 -11.323   5.560  17.301
  711    H    ALA  96           H        ALA  96  -7.385   3.933  18.279
  712    HA   ALA  96           HA       ALA  96  -8.483   1.341  18.644
  713    HB1  ALA  96           HB1      ALA  96  -6.356   0.590  17.733
  714    HB2  ALA  96           HB2      ALA  96  -6.830   2.080  16.905
  715    HB3  ALA  96           HB3      ALA  96  -5.572   2.123  18.160
  716    H    LYS  97           H        LYS  97  -5.924   2.989  20.574
  717    HA   LYS  97           HA       LYS  97  -5.604   0.868  22.492
  718    HB2  LYS  97           HB2      LYS  97  -5.176   3.879  22.651
  719    HB3  LYS  97           HB3      LYS  97  -4.776   2.776  23.972
  720    HG2  LYS  97           HG2      LYS  97  -3.196   1.555  22.565
  721    HG3  LYS  97           HG3      LYS  97  -3.617   2.540  21.155
  722    HD2  LYS  97           HD2      LYS  97  -2.821   4.584  22.326
  723    HD3  LYS  97           HD3      LYS  97  -2.393   3.598  23.741
  724    HE2  LYS  97           HE2      LYS  97  -0.804   2.284  22.332
  725    HE3  LYS  97           HE3      LYS  97  -1.225   3.295  20.931
  726    HZ1  LYS  97           HZ1      LYS  97   0.041   4.282  23.437
  727    HZ2  LYS  97           HZ2      LYS  97   0.812   4.070  22.011
  728    HZ3  LYS  97           HZ3      LYS  97  -0.345   5.218  22.155
  729    H    GLU  98           H        GLU  98  -7.777   3.742  22.639
  730    HA   GLU  98           HA       GLU  98  -9.004   3.067  25.112
  731    HB2  GLU  98           HB2      GLU  98  -9.960   4.715  22.750
  732    HB3  GLU  98           HB3      GLU  98 -10.928   4.495  24.211
  733    HG2  GLU  98           HG2      GLU  98  -9.112   5.415  25.602
  734    HG3  GLU  98           HG3      GLU  98  -8.134   5.708  24.172
  735    H    MET  99           H        MET  99  -9.778   1.938  21.851
  736    HA   MET  99           HA       MET  99 -12.252   0.622  22.527
  737    HB2  MET  99           HB2      MET  99 -10.334   0.495  20.185
  738    HB3  MET  99           HB3      MET  99 -11.724  -0.571  20.267
  739    HG2  MET  99           HG2      MET  99 -11.953   2.447  20.538
  740    HG3  MET  99           HG3      MET  99 -12.038   1.631  19.004
  741    HE1  MET  99           HE1      MET  99 -13.788  -0.155  18.343
  742    HE2  MET  99           HE2      MET  99 -13.897  -1.084  19.854
  743    HE3  MET  99           HE3      MET  99 -15.362  -0.372  19.153
  744    H    VAL 100           H        VAL 100  -9.052  -0.370  23.292
  745    HA   VAL 100           HA       VAL 100  -9.317  -3.200  23.095
  746    HB   VAL 100           HB       VAL 100  -7.708  -1.567  25.102
  747   HG11  VAL 100          HG11      VAL 100  -7.608  -4.564  24.509
  748   HG12  VAL 100          HG12      VAL 100  -6.390  -3.663  25.443
  749   HG13  VAL 100          HG13      VAL 100  -8.036  -3.806  26.063
  750   HG21  VAL 100          HG21      VAL 100  -6.912  -3.100  22.584
  751   HG22  VAL 100          HG22      VAL 100  -7.050  -1.333  22.685
  752   HG23  VAL 100          HG23      VAL 100  -5.818  -2.167  23.634
  753    H    GLY 101           H        GLY 101 -10.479  -4.621  24.091
  754    HA2  GLY 101           HA2      GLY 101 -11.591  -5.717  25.845
  755    HA3  GLY 101           HA3      GLY 101 -11.606  -4.223  26.805
  756    H    GLN 102           H        GLN 102 -12.754  -3.311  23.779
  757    HA   GLN 102           HA       GLN 102 -15.547  -3.371  24.637
  758    HB2  GLN 102           HB2      GLN 102 -14.217  -2.482  22.038
  759    HB3  GLN 102           HB3      GLN 102 -15.936  -2.342  22.366
  760    HG2  GLN 102           HG2      GLN 102 -13.757  -0.971  24.007
  761    HG3  GLN 102           HG3      GLN 102 -14.680  -0.224  22.715
  762   HE21  GLN 102          HE22      GLN 102 -14.730   1.045  25.141
  763   HE22  GLN 102          HE21      GLN 102 -16.292   0.793  25.905
  764    H    LYS 103           H        LYS 103 -17.154  -4.522  23.822
  765    HA   LYS 103           HA       LYS 103 -16.582  -6.866  22.065
  766    HB2  LYS 103           HB2      LYS 103 -18.764  -6.567  24.164
  767    HB3  LYS 103           HB3      LYS 103 -18.464  -7.988  23.163
  768    HG2  LYS 103           HG2      LYS 103 -16.233  -8.269  24.268
  769    HG3  LYS 103           HG3      LYS 103 -16.587  -6.861  25.285
  770    HD2  LYS 103           HD2      LYS 103 -17.195  -8.624  26.688
  771    HD3  LYS 103           HD3      LYS 103 -18.732  -8.127  25.997
  772    HE2  LYS 103           HE2      LYS 103 -18.949 -10.382  25.679
  773    HE3  LYS 103           HE3      LYS 103 -18.135  -9.992  24.159
  774    HZ1  LYS 103           HZ1      LYS 103 -17.014 -11.839  25.183
  775    HZ2  LYS 103           HZ2      LYS 103 -15.991 -10.559  25.370
  776    HZ3  LYS 103           HZ3      LYS 103 -16.888 -11.083  26.625
  777    H    MET 104           H        MET 104 -18.160  -7.414  20.468
  778    HA   MET 104           HA       MET 104 -20.488  -5.709  19.999
  779    HB2  MET 104           HB2      MET 104 -19.759  -4.749  17.854
  780    HB3  MET 104           HB3      MET 104 -18.793  -4.168  19.198
  781    HG2  MET 104           HG2      MET 104 -17.012  -5.877  18.594
  782    HG3  MET 104           HG3      MET 104 -17.992  -6.311  17.190
  783    HE1  MET 104           HE1      MET 104 -15.573  -3.872  18.830
  784    HE2  MET 104           HE2      MET 104 -15.581  -2.438  17.781
  785    HE3  MET 104           HE3      MET 104 -16.967  -2.767  18.843
  786    H    LYS 105           H        LYS 105 -21.936  -6.408  18.551
  787    HA   LYS 105           HA       LYS 105 -21.277  -8.478  16.573
  788    HB2  LYS 105           HB2      LYS 105 -21.880  -9.762  18.535
  789    HB3  LYS 105           HB3      LYS 105 -23.445  -8.953  18.645
  790    HG2  LYS 105           HG2      LYS 105 -24.262 -10.024  16.694
  791    HG3  LYS 105           HG3      LYS 105 -22.644 -10.370  16.075
  792    HD2  LYS 105           HD2      LYS 105 -23.898 -12.386  16.844
  793    HD3  LYS 105           HD3      LYS 105 -22.330 -12.163  17.602
  794    HE2  LYS 105           HE2      LYS 105 -23.836 -12.835  19.331
  795    HE3  LYS 105           HE3      LYS 105 -23.427 -11.136  19.581
  796    HZ1  LYS 105           HZ1      LYS 105 -25.950 -12.125  18.330
  797    HZ2  LYS 105           HZ2      LYS 105 -25.821 -11.572  19.859
  798    HZ3  LYS 105           HZ3      LYS 105 -25.601 -10.548  18.608
  799    H    TYR 106           H        TYR 106 -21.483  -6.105  15.752
  800    HA   TYR 106           HA       TYR 106 -24.011  -4.777  15.555
  801    HB2  TYR 106           HB2      TYR 106 -21.903  -3.616  15.363
  802    HB3  TYR 106           HB3      TYR 106 -21.392  -4.616  14.015
  803    HD1  TYR 106           HD1      TYR 106 -23.982  -2.081  14.984
  804    HD2  TYR 106           HD2      TYR 106 -21.760  -3.948  11.792
  805    HE1  TYR 106           HE1      TYR 106 -24.889  -0.410  13.377
  806    HE2  TYR 106           HE2      TYR 106 -22.667  -2.287  10.182
  807    HH   TYR 106           HH       TYR 106 -24.012  -0.450   9.901
  808    H    SER 107           H        SER 107 -22.557  -7.249  13.515
  809    HA   SER 107           HA       SER 107 -24.870  -7.582  11.767
  810    HB2  SER 107           HB2      SER 107 -23.828  -5.450  10.953
  811    HB3  SER 107           HB3      SER 107 -22.330  -6.332  10.648
  812    HG   SER 107           HG       SER 107 -24.025  -6.011   8.864
  813    H    ILE 108           H        ILE 108 -23.497  -8.763   9.616
  814    HA   ILE 108           HA       ILE 108 -22.618 -11.343  10.620
  815    HB   ILE 108           HB       ILE 108 -21.967 -11.800   8.280
  816   HG12  ILE 108          HG12      ILE 108 -22.824  -8.933   7.657
  817   HG13  ILE 108          HG13      ILE 108 -21.162  -9.527   7.641
  818   HG21  ILE 108          HG21      ILE 108 -24.220 -11.822   7.388
  819   HG22  ILE 108          HG22      ILE 108 -24.306 -12.083   9.131
  820   HG23  ILE 108          HG23      ILE 108 -24.714 -10.493   8.452
  821   HD11  ILE 108          HD11      ILE 108 -23.384 -10.401   5.767
  822   HD12  ILE 108          HD12      ILE 108 -21.964  -9.418   5.387
  823   HD13  ILE 108          HD13      ILE 108 -21.761 -11.131   5.825
  824    H    VAL 109           H        VAL 109 -20.469 -12.223  10.598
  825    HA   VAL 109           HA       VAL 109 -18.722 -10.665  12.008
  826    HB   VAL 109           HB       VAL 109 -16.898 -12.303  11.603
  827   HG11  VAL 109          HG11      VAL 109 -19.613 -13.512  12.250
  828   HG12  VAL 109          HG12      VAL 109 -18.025 -14.138  12.732
  829   HG13  VAL 109          HG13      VAL 109 -18.587 -12.583  13.364
  830   HG21  VAL 109          HG21      VAL 109 -17.330 -14.345  10.329
  831   HG22  VAL 109          HG22      VAL 109 -18.899 -13.731   9.783
  832   HG23  VAL 109          HG23      VAL 109 -17.399 -12.955   9.240
  833    H    SER 110           H        SER 110 -18.502 -10.977   8.442
  834    HA   SER 110           HA       SER 110 -16.072  -9.533   8.131
  835    HB2  SER 110           HB2      SER 110 -18.462  -9.572   6.244
  836    HB3  SER 110           HB3      SER 110 -16.786  -9.170   5.834
  837    HG   SER 110           HG       SER 110 -17.320 -11.349   5.303
  838    H    ARG 111           H        ARG 111 -19.473  -8.256   8.048
  839    HA   ARG 111           HA       ARG 111 -18.505  -5.524   7.902
  840    HB2  ARG 111           HB2      ARG 111 -20.708  -6.193   6.961
  841    HB3  ARG 111           HB3      ARG 111 -21.294  -6.483   8.592
  842    HG2  ARG 111           HG2      ARG 111 -22.033  -4.284   7.785
  843    HG3  ARG 111           HG3      ARG 111 -20.955  -4.063   9.165
  844    HD2  ARG 111           HD2      ARG 111 -20.689  -2.443   7.229
  845    HD3  ARG 111           HD3      ARG 111 -19.246  -3.172   7.911
  846    HE   ARG 111           HE       ARG 111 -18.791  -4.284   5.938
  847   HH11  ARG 111          HH11      ARG 111 -22.104  -3.035   5.544
  848   HH12  ARG 111          HH12      ARG 111 -22.099  -3.442   3.854
  849   HH21  ARG 111          HH21      ARG 111 -18.827  -4.709   3.947
  850   HH22  ARG 111          HH22      ARG 111 -20.224  -4.410   2.911
  851    H    ASN 112           H        ASN 112 -19.350  -7.690  10.582
  852    HA   ASN 112           HA       ASN 112 -19.297  -5.703  12.651
  853    HB2  ASN 112           HB2      ASN 112 -19.968  -8.217  12.728
  854    HB3  ASN 112           HB3      ASN 112 -18.245  -8.549  12.888
  855   HD21  ASN 112          HD22      ASN 112 -18.362  -9.394  15.008
  856   HD22  ASN 112          HD21      ASN 112 -18.857  -8.418  16.388
  857    H    CYS 113           H        CYS 113 -16.660  -7.357  10.925
  858    HA   CYS 113           HA       CYS 113 -14.565  -6.076  12.482
  859    HB2  CYS 113           HB2      CYS 113 -14.641  -8.385  11.339
  860    HB3  CYS 113           HB3      CYS 113 -14.177  -7.527   9.851
  861    HG   CYS 113           HG       CYS 113 -12.411  -8.762  11.849
  862    H    GLU 114           H        GLU 114 -15.912  -5.452   9.176
  863    HA   GLU 114           HA       GLU 114 -14.323  -3.111   8.655
  864    HB2  GLU 114           HB2      GLU 114 -17.115  -3.827   7.728
  865    HB3  GLU 114           HB3      GLU 114 -16.185  -2.455   7.119
  866    HG2  GLU 114           HG2      GLU 114 -14.411  -3.991   6.325
  867    HG3  GLU 114           HG3      GLU 114 -15.352  -5.379   6.877
  868    H    HIS 115           H        HIS 115 -17.498  -3.422  10.325
  869    HA   HIS 115           HA       HIS 115 -17.854  -0.670  10.920
  870    HB2  HIS 115           HB2      HIS 115 -19.632  -2.354  11.028
  871    HB3  HIS 115           HB3      HIS 115 -18.857  -3.102  12.432
  872    HD1  HIS 115           HD1      HIS 115 -20.296   0.421  11.517
  873    HD2  HIS 115           HD2      HIS 115 -19.737  -2.243  14.727
  874    HE1  HIS 115           HE1      HIS 115 -21.349   1.521  13.547
  875    H    PHE 116           H        PHE 116 -16.017  -3.272  12.576
  876    HA   PHE 116           HA       PHE 116 -15.226  -1.826  14.923
  877    HB2  PHE 116           HB2      PHE 116 -14.877  -4.069  15.127
  878    HB3  PHE 116           HB3      PHE 116 -14.374  -4.287  13.502
  879    HD1  PHE 116           HD1      PHE 116 -13.227  -2.728  16.704
  880    HD2  PHE 116           HD2      PHE 116 -12.044  -4.475  12.936
  881    HE1  PHE 116           HE1      PHE 116 -10.858  -2.594  17.391
  882    HE2  PHE 116           HE2      PHE 116  -9.666  -4.351  13.636
  883    HZ   PHE 116           HZ       PHE 116  -9.062  -3.419  15.862
  884    H    VAL 117           H        VAL 117 -13.315  -2.262  11.830
  885    HA   VAL 117           HA       VAL 117 -11.401  -0.310  12.719
  886    HB   VAL 117           HB       VAL 117 -10.673  -0.005  10.373
  887   HG11  VAL 117          HG11      VAL 117  -9.661  -2.200  10.229
  888   HG12  VAL 117          HG12      VAL 117  -9.695  -1.664  11.916
  889   HG13  VAL 117          HG13      VAL 117 -10.874  -2.873  11.344
  890   HG21  VAL 117          HG21      VAL 117 -11.459  -1.489   8.623
  891   HG22  VAL 117          HG22      VAL 117 -12.680  -2.181   9.705
  892   HG23  VAL 117          HG23      VAL 117 -12.806  -0.487   9.187
  893    H    THR 118           H        THR 118 -14.491   0.190  11.083
  894    HA   THR 118           HA       THR 118 -14.089   3.048  10.693
  895    HB   THR 118           HB       THR 118 -16.755   1.610  10.919
  896    HG1  THR 118           HG1      THR 118 -15.647   0.574   9.313
  897   HG21  THR 118          HG21      THR 118 -17.483   3.378   9.337
  898   HG22  THR 118          HG22      THR 118 -16.939   4.071  10.872
  899   HG23  THR 118          HG23      THR 118 -15.893   4.147   9.440
  900    H    GLN 119           H        GLN 119 -15.495   1.183  13.442
  901    HA   GLN 119           HA       GLN 119 -16.055   3.445  15.080
  902    HB2  GLN 119           HB2      GLN 119 -15.301   0.600  15.715
  903    HB3  GLN 119           HB3      GLN 119 -15.511   1.796  16.984
  904    HG2  GLN 119           HG2      GLN 119 -17.805   2.171  16.465
  905    HG3  GLN 119           HG3      GLN 119 -17.689   1.325  14.922
  906   HE21  GLN 119          HE22      GLN 119 -17.210  -0.995  14.967
  907   HE22  GLN 119          HE21      GLN 119 -17.649  -1.971  16.382
  908    H    LEU 120           H        LEU 120 -12.876   1.952  14.322
  909    HA   LEU 120           HA       LEU 120 -11.454   3.426  16.357
  910    HB2  LEU 120           HB2      LEU 120 -10.294   2.460  13.716
  911    HB3  LEU 120           HB3      LEU 120  -9.438   2.888  15.188
  912    HG   LEU 120           HG       LEU 120 -11.179   0.452  14.710
  913   HD11  LEU 120          HD11      LEU 120  -8.261   0.746  15.489
  914   HD12  LEU 120          HD12      LEU 120  -9.120  -0.776  15.177
  915   HD13  LEU 120          HD13      LEU 120  -8.867   0.380  13.857
  916   HD21  LEU 120          HD21      LEU 120 -10.496  -0.192  17.097
  917   HD22  LEU 120          HD22      LEU 120 -10.143   1.534  17.330
  918   HD23  LEU 120          HD23      LEU 120 -11.782   1.002  16.910
  919    H    ARG 121           H        ARG 121 -11.894   4.136  12.849
  920    HA   ARG 121           HA       ARG 121 -10.983   6.921  13.317
  921    HB2  ARG 121           HB2      ARG 121 -10.980   7.071  10.805
  922    HB3  ARG 121           HB3      ARG 121  -9.881   5.918  11.548
  923    HG2  ARG 121           HG2      ARG 121 -10.977   4.075  10.856
  924    HG3  ARG 121           HG3      ARG 121 -12.516   4.913  10.502
  925    HD2  ARG 121           HD2      ARG 121 -11.618   5.825   8.466
  926    HD3  ARG 121           HD3      ARG 121  -9.963   5.444   8.952
  927    HE   ARG 121           HE       ARG 121 -10.167   3.377   8.065
  928   HH11  ARG 121          HH11      ARG 121 -13.499   4.431   8.577
  929   HH12  ARG 121          HH12      ARG 121 -14.160   2.867   8.165
  930   HH21  ARG 121          HH21      ARG 121 -11.113   1.474   7.248
  931   HH22  ARG 121          HH22      ARG 121 -12.836   1.306   7.270
  932    H    TYR 122           H        TYR 122 -13.789   5.847  14.032
  933    HA   TYR 122           HA       TYR 122 -15.768   6.871  12.468
  934    HB2  TYR 122           HB2      TYR 122 -15.716   5.419  14.643
  935    HB3  TYR 122           HB3      TYR 122 -15.930   6.911  15.503
  936    HD1  TYR 122           HD1      TYR 122 -17.437   4.497  13.143
  937    HD2  TYR 122           HD2      TYR 122 -18.106   8.050  15.487
  938    HE1  TYR 122           HE1      TYR 122 -19.890   4.257  12.789
  939    HE2  TYR 122           HE2      TYR 122 -20.559   7.817  15.145
  940    HH   TYR 122           HH       TYR 122 -22.242   6.592  14.173
  941    H    GLY 123           H        GLY 123 -13.773   8.647  14.667
  942    HA2  GLY 123           HA2      GLY 123 -15.380  10.667  15.703
  943    HA3  GLY 123           HA3      GLY 123 -13.646  10.850  15.432
  944    H    LYS 124           H        LYS 124 -13.065  11.422  13.085
  945    HA   LYS 124           HA       LYS 124 -14.879  13.643  12.181
  946    HB2  LYS 124           HB2      LYS 124 -11.897  13.193  12.213
  947    HB3  LYS 124           HB3      LYS 124 -12.562  14.121  10.883
  948    HG2  LYS 124           HG2      LYS 124 -11.867  15.623  12.607
  949    HG3  LYS 124           HG3      LYS 124 -13.623  15.697  12.437
  950    HD2  LYS 124           HD2      LYS 124 -13.907  14.342  14.471
  951    HD3  LYS 124           HD3      LYS 124 -12.146  14.140  14.609
  952    HE2  LYS 124           HE2      LYS 124 -11.884  16.593  14.847
  953    HE3  LYS 124           HE3      LYS 124 -13.631  16.807  14.664
  954    HZ1  LYS 124           HZ1      LYS 124 -13.940  15.537  16.722
  955    HZ2  LYS 124           HZ2      LYS 124 -12.323  15.331  16.887
  956    HZ3  LYS 124           HZ3      LYS 124 -12.974  16.826  16.996
  957    H    SER 125           H        SER 125 -14.127  10.481  11.164
  958    HA   SER 125           HA       SER 125 -14.053  10.938   8.285
  959    HB2  SER 125           HB2      SER 125 -14.562   8.304   9.659
  960    HB3  SER 125           HB3      SER 125 -13.966   8.603   8.016
  961    HG   SER 125           HG       SER 125 -12.655   8.694  10.449
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1   3.098   0.862  -5.126
    2    H2   MET   1           H2       MET   1   3.504  -0.726  -5.091
    3    H3   MET   1           H3       MET   1   4.397   0.334  -5.959
    4    HA   MET   1           HA       MET   1   2.589   0.778  -7.458
    5    HB2  MET   1           HB2      MET   1   4.218  -0.992  -8.020
    6    HB3  MET   1           HB3      MET   1   3.189  -2.209  -7.273
    7    HG2  MET   1           HG2      MET   1   1.372  -1.623  -8.892
    8    HG3  MET   1           HG3      MET   1   2.445  -0.443  -9.647
    9    HE1  MET   1           HE1      MET   1   4.442  -1.001 -11.214
   10    HE2  MET   1           HE2      MET   1   5.279  -1.882  -9.910
   11    HE3  MET   1           HE3      MET   1   5.071  -2.634 -11.503
   12    H    ALA   2           H        ALA   2   1.410  -2.387  -6.171
   13    HA   ALA   2           HA       ALA   2  -1.339  -1.381  -6.171
   14    HB1  ALA   2           HB1      ALA   2  -0.141  -4.067  -5.346
   15    HB2  ALA   2           HB2      ALA   2  -1.865  -3.728  -5.625
   16    HB3  ALA   2           HB3      ALA   2  -0.724  -3.647  -6.975
   17    H    SER   3           H        SER   3  -2.754  -1.992  -4.220
   18    HA   SER   3           HA       SER   3  -2.124  -0.355  -2.055
   19    HB2  SER   3           HB2      SER   3  -4.063  -2.684  -1.996
   20    HB3  SER   3           HB3      SER   3  -4.098  -1.226  -0.993
   21    HG   SER   3           HG       SER   3  -5.574  -1.205  -2.720
   22    HA   PRO   4           HA       PRO   4  -1.250  -3.945   0.858
   23    HB2  PRO   4           HB2      PRO   4  -0.353  -6.417   0.090
   24    HB3  PRO   4           HB3      PRO   4  -2.084  -5.957   0.143
   25    HG2  PRO   4           HG2      PRO   4  -0.221  -5.934  -2.253
   26    HG3  PRO   4           HG3      PRO   4  -1.870  -6.636  -2.140
   27    HD2  PRO   4           HD2      PRO   4  -1.417  -4.182  -3.186
   28    HD3  PRO   4           HD3      PRO   4  -2.876  -4.507  -2.202
   29    H    HIS   5           H        HIS   5   0.515  -3.980   2.084
   30    HA   HIS   5           HA       HIS   5   3.293  -4.012   1.016
   31    HB2  HIS   5           HB2      HIS   5   1.941  -1.760   2.587
   32    HB3  HIS   5           HB3      HIS   5   3.681  -1.930   2.482
   33    HD1  HIS   5           HD1      HIS   5   0.699  -1.054   0.189
   34    HD2  HIS   5           HD2      HIS   5   4.906  -1.071   0.312
   35    HE1  HIS   5           HE1      HIS   5   1.477   0.325  -1.803
   36    H    GLN   6           H        GLN   6   4.837  -3.867   3.106
   37    HA   GLN   6           HA       GLN   6   3.523  -5.167   5.446
   38    HB2  GLN   6           HB2      GLN   6   4.915  -6.817   4.237
   39    HB3  GLN   6           HB3      GLN   6   6.305  -5.735   4.352
   40    HG2  GLN   6           HG2      GLN   6   6.488  -7.503   6.012
   41    HG3  GLN   6           HG3      GLN   6   6.315  -5.956   6.820
   42   HE21  GLN   6          HE22      GLN   6   5.105  -9.192   6.798
   43   HE22  GLN   6          HE21      GLN   6   3.628  -8.848   7.684
   44    H    GLU   7           H        GLU   7   4.285  -4.651   7.426
   45    HA   GLU   7           HA       GLU   7   5.550  -3.716   9.083
   46    HB2  GLU   7           HB2      GLU   7   7.334  -2.869   7.568
   47    HB3  GLU   7           HB3      GLU   7   6.388  -1.382   7.344
   48    HG2  GLU   7           HG2      GLU   7   6.412  -1.037   9.833
   49    HG3  GLU   7           HG3      GLU   7   7.390  -2.495  10.003
   50    HA   PRO   8           HA       PRO   8   1.483  -1.698   9.571
   51    HB2  PRO   8           HB2      PRO   8   2.240  -2.354  12.415
   52    HB3  PRO   8           HB3      PRO   8   0.633  -2.436  11.611
   53    HG2  PRO   8           HG2      PRO   8   2.052  -4.701  11.907
   54    HG3  PRO   8           HG3      PRO   8   1.315  -4.351  10.313
   55    HD2  PRO   8           HD2      PRO   8   4.181  -3.861  11.188
   56    HD3  PRO   8           HD3      PRO   8   3.571  -4.635   9.693
   57    H    LYS   9           H        LYS   9   1.124   0.383   9.641
   58    HA   LYS   9           HA       LYS   9   3.089   2.210  10.930
   59    HB2  LYS   9           HB2      LYS   9   0.996   2.796   8.790
   60    HB3  LYS   9           HB3      LYS   9   2.246   3.892   9.364
   61    HG2  LYS   9           HG2      LYS   9   2.613   1.390   7.677
   62    HG3  LYS   9           HG3      LYS   9   2.900   3.065   7.241
   63    HD2  LYS   9           HD2      LYS   9   4.702   3.067   9.122
   64    HD3  LYS   9           HD3      LYS   9   4.567   1.290   9.071
   65    HE2  LYS   9           HE2      LYS   9   5.174   1.220   6.737
   66    HE3  LYS   9           HE3      LYS   9   5.032   2.977   6.570
   67    HZ1  LYS   9           HZ1      LYS   9   6.936   3.208   8.083
   68    HZ2  LYS   9           HZ2      LYS   9   7.135   1.575   8.148
   69    HZ3  LYS   9           HZ3      LYS   9   7.338   2.373   6.743
   70    HA   PRO  10           HA       PRO  10   0.106   3.076  13.984
   71    HB2  PRO  10           HB2      PRO  10   0.760   5.548  14.930
   72    HB3  PRO  10           HB3      PRO  10   1.774   4.083  15.193
   73    HG2  PRO  10           HG2      PRO  10   2.097   6.205  13.040
   74    HG3  PRO  10           HG3      PRO  10   3.349   5.527  14.137
   75    HD2  PRO  10           HD2      PRO  10   3.024   4.600  11.596
   76    HD3  PRO  10           HD3      PRO  10   3.417   3.484  12.943
   77    H    GLY  11           H        GLY  11  -1.972   3.384  13.748
   78    HA2  GLY  11           HA2      GLY  11  -3.992   4.436  13.228
   79    HA3  GLY  11           HA3      GLY  11  -3.124   5.750  12.393
   80    H    ASP  12           H        ASP  12  -2.175   2.581  11.386
   81    HA   ASP  12           HA       ASP  12  -4.177   2.572   9.170
   82    HB2  ASP  12           HB2      ASP  12  -1.682   3.224   8.627
   83    HB3  ASP  12           HB3      ASP  12  -1.373   1.502   8.814
   84    H    LEU  13           H        LEU  13  -4.343   0.385   8.128
   85    HA   LEU  13           HA       LEU  13  -4.543  -1.643  10.291
   86    HB2  LEU  13           HB2      LEU  13  -6.767  -2.263   9.478
   87    HB3  LEU  13           HB3      LEU  13  -6.646  -0.624  10.042
   88    HG   LEU  13           HG       LEU  13  -6.222  -0.185   7.374
   89   HD11  LEU  13          HD11      LEU  13  -6.571  -2.637   6.896
   90   HD12  LEU  13          HD12      LEU  13  -8.224  -2.480   7.504
   91   HD13  LEU  13          HD13      LEU  13  -7.719  -1.578   6.060
   92   HD21  LEU  13          HD21      LEU  13  -8.641   0.448   7.294
   93   HD22  LEU  13          HD22      LEU  13  -8.912  -0.441   8.806
   94   HD23  LEU  13          HD23      LEU  13  -7.861   0.990   8.786
   95    H    ILE  14           H        ILE  14  -4.897  -3.753   9.797
   96    HA   ILE  14           HA       ILE  14  -2.945  -4.762   7.761
   97    HB   ILE  14           HB       ILE  14  -3.320  -5.852  10.569
   98   HG12  ILE  14          HG12      ILE  14  -1.248  -3.693  10.036
   99   HG13  ILE  14          HG13      ILE  14  -2.767  -3.406  10.889
  100   HG21  ILE  14          HG21      ILE  14  -0.865  -5.810   8.767
  101   HG22  ILE  14          HG22      ILE  14  -1.061  -6.738  10.269
  102   HG23  ILE  14          HG23      ILE  14  -2.017  -7.158   8.862
  103   HD11  ILE  14          HD11      ILE  14  -0.557  -5.247  11.835
  104   HD12  ILE  14          HD12      ILE  14  -1.119  -3.733  12.556
  105   HD13  ILE  14          HD13      ILE  14  -2.176  -5.151  12.567
  106    H    GLU  15           H        GLU  15  -3.377  -6.799   6.907
  107    HA   GLU  15           HA       GLU  15  -5.865  -8.251   7.733
  108    HB2  GLU  15           HB2      GLU  15  -4.295  -8.308   5.117
  109    HB3  GLU  15           HB3      GLU  15  -5.568  -9.456   5.554
  110    HG2  GLU  15           HG2      GLU  15  -7.175  -7.571   5.787
  111    HG3  GLU  15           HG3      GLU  15  -5.916  -6.450   5.251
  112    H    ILE  16           H        ILE  16  -5.460 -10.021   8.927
  113    HA   ILE  16           HA       ILE  16  -2.700 -11.221   8.945
  114    HB   ILE  16           HB       ILE  16  -4.607 -10.792  11.289
  115   HG12  ILE  16          HG12      ILE  16  -2.006  -9.321  10.667
  116   HG13  ILE  16          HG13      ILE  16  -3.622  -8.640  10.483
  117   HG21  ILE  16          HG21      ILE  16  -2.697 -11.575  12.678
  118   HG22  ILE  16          HG22      ILE  16  -3.161 -12.808  11.540
  119   HG23  ILE  16          HG23      ILE  16  -1.724 -11.826  11.209
  120   HD11  ILE  16          HD11      ILE  16  -2.661  -7.810  12.504
  121   HD12  ILE  16          HD12      ILE  16  -4.000  -8.906  12.925
  122   HD13  ILE  16          HD13      ILE  16  -2.307  -9.430  13.104
  123    H    PHE  17           H        PHE  17  -2.593 -13.322   8.511
  124    HA   PHE  17           HA       PHE  17  -4.968 -15.058   8.474
  125    HB2  PHE  17           HB2      PHE  17  -2.024 -15.511   7.851
  126    HB3  PHE  17           HB3      PHE  17  -3.241 -16.778   7.800
  127    HD1  PHE  17           HD2      PHE  17  -2.220 -13.540   6.216
  128    HD2  PHE  17           HD1      PHE  17  -4.679 -17.068   5.930
  129    HE1  PHE  17           HE2      PHE  17  -2.750 -12.974   3.863
  130    HE2  PHE  17           HE1      PHE  17  -5.197 -16.510   3.565
  131    HZ   PHE  17           HZ       PHE  17  -4.241 -14.457   2.531
  132    H    ARG  18           H        ARG  18  -5.186 -14.372  10.898
  133    HA   ARG  18           HA       ARG  18  -3.449 -15.458  12.861
  134    HB2  ARG  18           HB2      ARG  18  -5.062 -13.678  13.328
  135    HB3  ARG  18           HB3      ARG  18  -6.394 -14.804  13.087
  136    HG2  ARG  18           HG2      ARG  18  -5.950 -14.365  15.468
  137    HG3  ARG  18           HG3      ARG  18  -5.784 -16.071  15.067
  138    HD2  ARG  18           HD2      ARG  18  -3.252 -15.709  14.962
  139    HD3  ARG  18           HD3      ARG  18  -3.535 -14.063  15.531
  140    HE   ARG  18           HE       ARG  18  -4.004 -14.864  17.657
  141   HH11  ARG  18          HH21      ARG  18  -3.822 -17.687  15.481
  142   HH12  ARG  18          HH22      ARG  18  -3.761 -18.797  16.816
  143   HH21  ARG  18          HH11      ARG  18  -3.940 -16.378  19.302
  144   HH22  ARG  18          HH12      ARG  18  -3.849 -18.074  18.941
  145    H    LEU  19           H        LEU  19  -6.120 -17.021  11.243
  146    HA   LEU  19           HA       LEU  19  -5.098 -19.645  11.870
  147    HB2  LEU  19           HB2      LEU  19  -7.121 -20.386  13.205
  148    HB3  LEU  19           HB3      LEU  19  -5.990 -19.313  14.003
  149    HG   LEU  19           HG       LEU  19  -7.481 -17.397  13.733
  150   HD11  LEU  19          HD11      LEU  19  -8.726 -17.968  11.706
  151   HD12  LEU  19          HD12      LEU  19  -9.458 -19.376  12.515
  152   HD13  LEU  19          HD13      LEU  19  -9.845 -17.723  13.047
  153   HD21  LEU  19          HD21      LEU  19  -7.597 -18.802  15.760
  154   HD22  LEU  19          HD22      LEU  19  -9.179 -18.116  15.360
  155   HD23  LEU  19          HD23      LEU  19  -8.837 -19.820  14.991
  156    H    GLY  20           H        GLY  20  -5.564 -18.317   9.493
  157    HA2  GLY  20           HA2      GLY  20  -6.089 -19.079   7.390
  158    HA3  GLY  20           HA3      GLY  20  -7.190 -20.289   8.084
  159    H    TYR  21           H        TYR  21  -8.536 -17.951   9.585
  160    HA   TYR  21           HA       TYR  21 -10.679 -17.539   7.746
  161    HB2  TYR  21           HB2      TYR  21 -10.888 -17.775  10.160
  162    HB3  TYR  21           HB3      TYR  21  -9.972 -16.298  10.430
  163    HD1  TYR  21           HD1      TYR  21 -13.215 -17.654   9.183
  164    HD2  TYR  21           HD2      TYR  21 -11.005 -14.145  10.358
  165    HE1  TYR  21           HE1      TYR  21 -15.332 -16.342   9.255
  166    HE2  TYR  21           HE2      TYR  21 -13.104 -12.832  10.427
  167    HH   TYR  21           HH       TYR  21 -15.390 -12.860  10.114
  168    H    GLU  22           H        GLU  22  -7.965 -15.501   8.571
  169    HA   GLU  22           HA       GLU  22  -7.117 -13.541   7.820
  170    HB2  GLU  22           HB2      GLU  22  -9.360 -13.400   5.773
  171    HB3  GLU  22           HB3      GLU  22  -7.992 -12.304   5.913
  172    HG2  GLU  22           HG2      GLU  22  -6.410 -14.071   5.449
  173    HG3  GLU  22           HG3      GLU  22  -7.676 -15.300   5.474
  174    H    HIS  23           H        HIS  23  -7.262 -12.328   9.600
  175    HA   HIS  23           HA       HIS  23  -9.852 -11.000  10.342
  176    HB2  HIS  23           HB2      HIS  23  -7.313 -11.541  11.941
  177    HB3  HIS  23           HB3      HIS  23  -8.685 -10.594  12.521
  178    HD1  HIS  23           HD1      HIS  23 -10.332 -11.968  13.973
  179    HD2  HIS  23           HD2      HIS  23  -8.057 -14.256  11.265
  180    HE1  HIS  23           HE1      HIS  23 -10.826 -14.423  14.486
  181    H    TRP  24           H        TRP  24  -9.902  -8.757  10.688
  182    HA   TRP  24           HA       TRP  24  -7.669  -7.166   9.575
  183    HB2  TRP  24           HB2      TRP  24 -10.377  -6.356  10.662
  184    HB3  TRP  24           HB3      TRP  24  -9.158  -5.260  10.027
  185    HD1  TRP  24           HD1      TRP  24 -12.054  -7.238   9.072
  186    HE1  TRP  24           HE1      TRP  24 -12.524  -7.095   6.540
  187    HE3  TRP  24           HE3      TRP  24  -7.678  -5.063   7.589
  188    HZ2  TRP  24           HZ2      TRP  24 -11.231  -5.980   4.216
  189    HZ3  TRP  24           HZ3      TRP  24  -7.365  -4.374   5.229
  190    HH2  TRP  24           HH2      TRP  24  -9.121  -4.826   3.536
  191    H    ALA  25           H        ALA  25  -6.491  -5.658  10.776
  192    HA   ALA  25           HA       ALA  25  -7.177  -5.158  13.600
  193    HB1  ALA  25           HB1      ALA  25  -5.616  -7.097  13.675
  194    HB2  ALA  25           HB2      ALA  25  -4.424  -6.159  12.749
  195    HB3  ALA  25           HB3      ALA  25  -4.884  -5.647  14.386
  196    H    LEU  26           H        LEU  26  -6.225  -3.243  14.477
  197    HA   LEU  26           HA       LEU  26  -5.131  -1.256  12.497
  198    HB2  LEU  26           HB2      LEU  26  -7.506  -1.002  13.556
  199    HB3  LEU  26           HB3      LEU  26  -6.691  -0.714  15.062
  200    HG   LEU  26           HG       LEU  26  -7.331   1.373  14.223
  201   HD11  LEU  26          HD11      LEU  26  -4.967   1.344  15.091
  202   HD12  LEU  26          HD12      LEU  26  -4.425   1.373  13.397
  203   HD13  LEU  26          HD13      LEU  26  -5.399   2.702  14.042
  204   HD21  LEU  26          HD21      LEU  26  -6.932   2.233  11.999
  205   HD22  LEU  26          HD22      LEU  26  -5.934   0.830  11.581
  206   HD23  LEU  26          HD23      LEU  26  -7.682   0.640  11.838
  207    H    TYR  27           H        TYR  27  -3.056  -0.622  12.975
  208    HA   TYR  27           HA       TYR  27  -1.769  -1.384  15.519
  209    HB2  TYR  27           HB2      TYR  27  -0.767  -1.603  13.234
  210    HB3  TYR  27           HB3      TYR  27  -0.724   0.137  13.113
  211    HD1  TYR  27           HD1      TYR  27   0.541  -2.762  15.161
  212    HD2  TYR  27           HD2      TYR  27   1.187   1.282  13.879
  213    HE1  TYR  27           HE1      TYR  27   2.883  -2.870  15.979
  214    HE2  TYR  27           HE2      TYR  27   3.527   1.192  14.671
  215    HH   TYR  27           HH       TYR  27   5.171  -0.134  15.536
  216    H    ILE  28           H        ILE  28  -2.444  -0.222  17.218
  217    HA   ILE  28           HA       ILE  28  -3.064   2.668  16.919
  218    HB   ILE  28           HB       ILE  28  -3.864   2.475  19.287
  219   HG12  ILE  28          HG12      ILE  28  -3.739  -0.536  18.947
  220   HG13  ILE  28          HG13      ILE  28  -2.483   0.362  19.801
  221   HG21  ILE  28          HG21      ILE  28  -5.243   0.588  17.355
  222   HG22  ILE  28          HG22      ILE  28  -5.965   1.578  18.649
  223   HG23  ILE  28          HG23      ILE  28  -5.288   2.362  17.233
  224   HD11  ILE  28          HD11      ILE  28  -5.431   0.496  20.575
  225   HD12  ILE  28          HD12      ILE  28  -4.222  -0.558  21.327
  226   HD13  ILE  28          HD13      ILE  28  -4.056   1.209  21.433
  227    H    GLY  29           H        GLY  29  -0.275   0.933  17.999
  228    HA2  GLY  29           HA2      GLY  29   1.091   3.406  18.463
  229    HA3  GLY  29           HA3      GLY  29   0.727   2.636  19.999
  230    H    ASP  30           H        ASP  30   3.179   2.671  19.960
  231    HA   ASP  30           HA       ASP  30   4.633   1.165  18.091
  232    HB2  ASP  30           HB2      ASP  30   5.623   2.924  19.457
  233    HB3  ASP  30           HB3      ASP  30   5.359   1.991  20.930
  234    H    GLY  31           H        GLY  31   3.957  -0.848  17.739
  235    HA2  GLY  31           HA2      GLY  31   4.143  -3.108  17.855
  236    HA3  GLY  31           HA3      GLY  31   4.828  -2.987  19.495
  237    H    TYR  32           H        TYR  32   1.612  -1.598  18.764
  238    HA   TYR  32           HA       TYR  32   0.335  -4.086  19.583
  239    HB2  TYR  32           HB2      TYR  32  -0.721  -3.445  21.548
  240    HB3  TYR  32           HB3      TYR  32   0.967  -3.063  21.730
  241    HD1  TYR  32           HD1      TYR  32   1.618  -0.504  21.104
  242    HD2  TYR  32           HD2      TYR  32  -2.216  -1.946  22.446
  243    HE1  TYR  32           HE1      TYR  32   1.124   1.727  22.083
  244    HE2  TYR  32           HE2      TYR  32  -2.714   0.285  23.433
  245    HH   TYR  32           HH       TYR  32  -1.916   2.384  23.864
  246    H    VAL  33           H        VAL  33  -1.887  -4.326  19.457
  247    HA   VAL  33           HA       VAL  33  -3.035  -2.566  17.349
  248    HB   VAL  33           HB       VAL  33  -3.764  -4.580  16.109
  249   HG11  VAL  33          HG11      VAL  33  -1.622  -5.222  15.109
  250   HG12  VAL  33          HG12      VAL  33  -1.753  -3.483  15.331
  251   HG13  VAL  33          HG13      VAL  33  -0.750  -4.444  16.446
  252   HG21  VAL  33          HG21      VAL  33  -1.921  -6.187  17.925
  253   HG22  VAL  33          HG22      VAL  33  -3.699  -6.276  17.932
  254   HG23  VAL  33          HG23      VAL  33  -2.794  -6.773  16.502
  255    H    ILE  34           H        ILE  34  -5.187  -2.759  16.910
  256    HA   ILE  34           HA       ILE  34  -7.041  -3.910  19.000
  257    HB   ILE  34           HB       ILE  34  -7.267  -1.595  17.038
  258   HG12  ILE  34          HG12      ILE  34  -6.154  -1.363  19.369
  259   HG13  ILE  34          HG13      ILE  34  -7.317  -0.157  18.809
  260   HG21  ILE  34          HG21      ILE  34  -9.401  -2.666  16.854
  261   HG22  ILE  34          HG22      ILE  34  -9.531  -2.860  18.614
  262   HG23  ILE  34          HG23      ILE  34  -9.607  -1.243  17.867
  263   HD11  ILE  34          HD11      ILE  34  -7.985  -2.395  20.735
  264   HD12  ILE  34          HD12      ILE  34  -7.595  -0.715  21.194
  265   HD13  ILE  34          HD13      ILE  34  -9.044  -1.048  20.246
  266    H    HIS  35           H        HIS  35  -8.565  -5.457  18.176
  267    HA   HIS  35           HA       HIS  35  -8.603  -6.047  15.274
  268    HB2  HIS  35           HB2      HIS  35  -7.628  -8.310  15.597
  269    HB3  HIS  35           HB3      HIS  35  -6.484  -7.029  15.974
  270    HD1  HIS  35           HD1      HIS  35  -8.069 -10.047  17.570
  271    HD2  HIS  35           HD2      HIS  35  -6.031  -6.542  18.699
  272    HE1  HIS  35           HE1      HIS  35  -7.310 -10.390  19.976
  273    H    LEU  36           H        LEU  36  -9.999  -7.925  14.735
  274    HA   LEU  36           HA       LEU  36 -12.387  -7.857  16.512
  275    HB2  LEU  36           HB2      LEU  36 -12.392  -6.812  14.281
  276    HB3  LEU  36           HB3      LEU  36 -12.072  -8.349  13.518
  277    HG   LEU  36           HG       LEU  36 -14.389  -7.486  13.328
  278   HD11  LEU  36          HD11      LEU  36 -13.878  -9.922  13.105
  279   HD12  LEU  36          HD12      LEU  36 -14.381 -10.132  14.794
  280   HD13  LEU  36          HD13      LEU  36 -15.537  -9.554  13.590
  281   HD21  LEU  36          HD21      LEU  36 -15.952  -7.545  15.175
  282   HD22  LEU  36          HD22      LEU  36 -14.706  -8.139  16.284
  283   HD23  LEU  36          HD23      LEU  36 -14.586  -6.497  15.601
  284    H    ALA  37           H        ALA  37 -12.988  -9.590  17.584
  285    HA   ALA  37           HA       ALA  37 -12.188 -12.342  16.762
  286    HB1  ALA  37           HB1      ALA  37 -13.482 -11.246  19.286
  287    HB2  ALA  37           HB2      ALA  37 -13.039 -12.943  18.990
  288    HB3  ALA  37           HB3      ALA  37 -11.776 -11.693  19.069
  289    HA   PRO  38           HA       PRO  38 -16.080 -12.001  14.539
  290    HB2  PRO  38           HB2      PRO  38 -15.702 -14.973  14.144
  291    HB3  PRO  38           HB3      PRO  38 -16.143 -13.736  12.928
  292    HG2  PRO  38           HG2      PRO  38 -13.613 -14.630  13.056
  293    HG3  PRO  38           HG3      PRO  38 -13.924 -12.866  12.897
  294    HD2  PRO  38           HD2      PRO  38 -13.249 -14.436  15.398
  295    HD3  PRO  38           HD3      PRO  38 -12.598 -12.876  14.810
  296    HA   PRO  39           HA       PRO  39 -19.610 -13.520  16.865
  297    HB2  PRO  39           HB2      PRO  39 -20.710 -14.526  14.236
  298    HB3  PRO  39           HB3      PRO  39 -21.532 -13.560  15.501
  299    HG2  PRO  39           HG2      PRO  39 -20.632 -12.331  13.270
  300    HG3  PRO  39           HG3      PRO  39 -20.333 -11.586  14.868
  301    HD2  PRO  39           HD2      PRO  39 -18.451 -13.308  13.215
  302    HD3  PRO  39           HD3      PRO  39 -18.131 -11.728  13.992
  303    H    SER  40           H        SER  40 -20.878 -15.443  17.390
  304    HA   SER  40           HA       SER  40 -21.078 -17.578  18.146
  305    HB2  SER  40           HB2      SER  40 -20.957 -19.387  16.566
  306    HB3  SER  40           HB3      SER  40 -21.639 -17.962  15.782
  307    HG   SER  40           HG       SER  40 -19.281 -17.609  15.186
  308    H    GLU  41           H        GLU  41 -18.451 -16.184  18.548
  309    HA   GLU  41           HA       GLU  41 -16.562 -16.469  19.783
  310    HB2  GLU  41           HB2      GLU  41 -16.872 -19.505  19.650
  311    HB3  GLU  41           HB3      GLU  41 -15.699 -18.595  20.572
  312    HG2  GLU  41           HG2      GLU  41 -18.711 -18.472  21.031
  313    HG3  GLU  41           HG3      GLU  41 -17.576 -19.434  21.958
  314    H    TYR  42           H        TYR  42 -16.986 -18.932  17.293
  315    HA   TYR  42           HA       TYR  42 -15.356 -17.628  15.380
  316    HB2  TYR  42           HB2      TYR  42 -13.438 -18.529  16.557
  317    HB3  TYR  42           HB3      TYR  42 -14.147 -20.135  16.582
  318    HD1  TYR  42           HD1      TYR  42 -13.174 -17.404  14.184
  319    HD2  TYR  42           HD2      TYR  42 -13.544 -21.652  14.851
  320    HE1  TYR  42           HE1      TYR  42 -12.286 -17.838  11.917
  321    HE2  TYR  42           HE2      TYR  42 -12.617 -22.092  12.592
  322    HH   TYR  42           HH       TYR  42 -11.853 -21.166  10.636
  323    HA   PRO  43           HA       PRO  43 -18.577 -19.923  13.271
  324    HB2  PRO  43           HB2      PRO  43 -16.894 -19.303  10.826
  325    HB3  PRO  43           HB3      PRO  43 -18.669 -19.174  11.041
  326    HG2  PRO  43           HG2      PRO  43 -17.137 -16.955  11.217
  327    HG3  PRO  43           HG3      PRO  43 -18.427 -17.234  12.436
  328    HD2  PRO  43           HD2      PRO  43 -15.461 -17.767  12.695
  329    HD3  PRO  43           HD3      PRO  43 -16.589 -16.982  13.845
  330    H    GLY  44           H        GLY  44 -18.762 -22.067  13.292
  331    HA2  GLY  44           HA2      GLY  44 -18.456 -24.280  12.815
  332    HA3  GLY  44           HA3      GLY  44 -17.197 -23.827  11.636
  333    H    ALA  45           H        ALA  45 -16.819 -22.888  14.992
  334    HA   ALA  45           HA       ALA  45 -14.331 -24.230  15.307
  335    HB1  ALA  45           HB1      ALA  45 -16.263 -23.195  17.434
  336    HB2  ALA  45           HB2      ALA  45 -14.551 -23.589  17.694
  337    HB3  ALA  45           HB3      ALA  45 -15.005 -22.258  16.616
  338    H    GLY  46           H        GLY  46 -17.569 -25.427  15.975
  339    HA2  GLY  46           HA2      GLY  46 -18.369 -27.558  16.135
  340    HA3  GLY  46           HA3      GLY  46 -16.726 -28.145  15.821
  341    H    SER  47           H        SER  47 -15.444 -27.176  18.150
  342    HA   SER  47           HA       SER  47 -15.926 -29.431  19.808
  343    HB2  SER  47           HB2      SER  47 -13.729 -28.410  19.488
  344    HB3  SER  47           HB3      SER  47 -14.246 -26.965  20.374
  345    HG   SER  47           HG       SER  47 -13.069 -28.562  21.636
  346    H    SER  48           H        SER  48 -17.163 -29.815  21.563
  347    HA   SER  48           HA       SER  48 -19.195 -28.149  22.468
  348    HB2  SER  48           HB2      SER  48 -17.818 -30.387  24.010
  349    HB3  SER  48           HB3      SER  48 -19.455 -29.776  24.285
  350    HG   SER  48           HG       SER  48 -19.453 -31.678  22.999
  351    H    SER  49           H        SER  49 -15.849 -28.096  23.522
  352    HA   SER  49           HA       SER  49 -16.231 -26.636  25.993
  353    HB2  SER  49           HB2      SER  49 -13.801 -26.784  24.162
  354    HB3  SER  49           HB3      SER  49 -13.820 -26.270  25.859
  355    HG   SER  49           HG       SER  49 -13.178 -28.462  25.650
  356    H    VAL  50           H        VAL  50 -16.652 -25.575  22.757
  357    HA   VAL  50           HA       VAL  50 -16.681 -22.743  23.666
  358    HB   VAL  50           HB       VAL  50 -14.398 -23.091  22.868
  359   HG11  VAL  50          HG11      VAL  50 -15.545 -23.679  20.109
  360   HG12  VAL  50          HG12      VAL  50 -13.840 -23.525  20.543
  361   HG13  VAL  50          HG13      VAL  50 -14.780 -24.877  21.176
  362   HG21  VAL  50          HG21      VAL  50 -15.945 -21.327  20.940
  363   HG22  VAL  50          HG22      VAL  50 -15.487 -20.875  22.600
  364   HG23  VAL  50          HG23      VAL  50 -14.236 -21.186  21.381
  365    H    PHE  51           H        PHE  51 -17.488 -24.929  20.907
  366    HA   PHE  51           HA       PHE  51 -19.117 -22.829  19.761
  367    HB2  PHE  51           HB2      PHE  51 -17.633 -24.607  18.607
  368    HB3  PHE  51           HB3      PHE  51 -18.943 -25.737  18.894
  369    HD1  PHE  51           HD2      PHE  51 -18.487 -22.217  17.563
  370    HD2  PHE  51           HD1      PHE  51 -20.379 -26.062  17.041
  371    HE1  PHE  51           HE2      PHE  51 -19.514 -21.427  15.458
  372    HE2  PHE  51           HE1      PHE  51 -21.390 -25.269  14.921
  373    HZ   PHE  51           HZ       PHE  51 -20.977 -22.945  14.129
  374    H    SER  52           H        SER  52 -19.751 -25.059  22.181
  375    HA   SER  52           HA       SER  52 -22.402 -25.970  21.684
  376    HB2  SER  52           HB2      SER  52 -22.427 -26.282  24.190
  377    HB3  SER  52           HB3      SER  52 -21.051 -27.002  23.353
  378    HG   SER  52           HG       SER  52 -19.907 -25.932  24.752
  379    H    VAL  53           H        VAL  53 -21.340 -22.783  22.617
  380    HA   VAL  53           HA       VAL  53 -23.789 -21.762  23.671
  381    HB   VAL  53           HB       VAL  53 -23.048 -19.534  23.033
  382   HG11  VAL  53          HG11      VAL  53 -22.082 -20.630  25.038
  383   HG12  VAL  53          HG12      VAL  53 -20.697 -21.166  24.067
  384   HG13  VAL  53          HG13      VAL  53 -20.991 -19.435  24.310
  385   HG21  VAL  53          HG21      VAL  53 -22.113 -19.908  20.792
  386   HG22  VAL  53          HG22      VAL  53 -20.925 -19.139  21.845
  387   HG23  VAL  53          HG23      VAL  53 -20.784 -20.870  21.482
  388    H    LEU  54           H        LEU  54 -23.049 -22.724  20.435
  389    HA   LEU  54           HA       LEU  54 -24.187 -22.943  18.544
  390    HB2  LEU  54           HB2      LEU  54 -26.085 -23.483  20.092
  391    HB3  LEU  54           HB3      LEU  54 -26.640 -21.826  19.985
  392    HG   LEU  54           HG       LEU  54 -27.884 -23.497  18.646
  393   HD11  LEU  54          HD11      LEU  54 -28.283 -22.117  16.733
  394   HD12  LEU  54          HD12      LEU  54 -27.955 -21.056  18.110
  395   HD13  LEU  54          HD13      LEU  54 -26.714 -21.327  16.871
  396   HD21  LEU  54          HD21      LEU  54 -27.043 -24.366  16.551
  397   HD22  LEU  54          HD22      LEU  54 -25.483 -23.551  16.771
  398   HD23  LEU  54          HD23      LEU  54 -25.962 -24.863  17.868
  399    H    SER  55           H        SER  55 -25.044 -19.832  20.041
  400    HA   SER  55           HA       SER  55 -23.923 -18.365  17.726
  401    HB2  SER  55           HB2      SER  55 -26.379 -18.640  17.304
  402    HB3  SER  55           HB3      SER  55 -26.707 -17.787  18.821
  403    HG   SER  55           HG       SER  55 -26.707 -16.455  16.876
  404    H    ASN  56           H        ASN  56 -23.494 -16.110  18.254
  405    HA   ASN  56           HA       ASN  56 -23.697 -14.904  20.766
  406    HB2  ASN  56           HB2      ASN  56 -21.640 -16.918  20.820
  407    HB3  ASN  56           HB3      ASN  56 -20.819 -15.373  20.750
  408   HD21  ASN  56          HD22      ASN  56 -23.434 -17.100  22.492
  409   HD22  ASN  56          HD21      ASN  56 -23.162 -16.282  24.033
  410    H    SER  57           H        SER  57 -22.482 -12.807  20.864
  411    HA   SER  57           HA       SER  57 -22.216 -11.675  18.193
  412    HB2  SER  57           HB2      SER  57 -21.527 -10.371  20.845
  413    HB3  SER  57           HB3      SER  57 -21.921  -9.571  19.309
  414    HG   SER  57           HG       SER  57 -23.689  -9.635  20.823
  415    H    ALA  58           H        ALA  58 -20.378 -10.381  17.458
  416    HA   ALA  58           HA       ALA  58 -17.720 -11.512  17.859
  417    HB1  ALA  58           HB1      ALA  58 -18.638  -8.891  16.559
  418    HB2  ALA  58           HB2      ALA  58 -17.071  -9.673  16.327
  419    HB3  ALA  58           HB3      ALA  58 -18.538 -10.442  15.715
  420    H    GLU  59           H        GLU  59 -15.886 -10.123  18.627
  421    HA   GLU  59           HA       GLU  59 -16.648  -7.901  20.454
  422    HB2  GLU  59           HB2      GLU  59 -16.336 -10.051  21.773
  423    HB3  GLU  59           HB3      GLU  59 -14.633 -10.025  21.294
  424    HG2  GLU  59           HG2      GLU  59 -14.339  -7.839  22.391
  425    HG3  GLU  59           HG3      GLU  59 -16.057  -7.764  22.776
  426    H    VAL  60           H        VAL  60 -15.332  -6.175  20.335
  427    HA   VAL  60           HA       VAL  60 -12.898  -6.254  18.630
  428    HB   VAL  60           HB       VAL  60 -14.146  -3.932  20.159
  429   HG11  VAL  60          HG11      VAL  60 -11.843  -4.043  18.159
  430   HG12  VAL  60          HG12      VAL  60 -12.620  -2.547  18.729
  431   HG13  VAL  60          HG13      VAL  60 -11.726  -3.573  19.856
  432   HG21  VAL  60          HG21      VAL  60 -14.179  -4.679  17.199
  433   HG22  VAL  60          HG22      VAL  60 -15.576  -4.701  18.295
  434   HG23  VAL  60          HG23      VAL  60 -14.806  -3.165  17.885
  435    H    LYS  61           H        LYS  61 -10.961  -6.665  19.416
  436    HA   LYS  61           HA       LYS  61 -10.422  -6.558  22.371
  437    HB2  LYS  61           HB2      LYS  61  -9.645  -8.692  20.327
  438    HB3  LYS  61           HB3      LYS  61  -9.212  -8.694  22.044
  439    HG2  LYS  61           HG2      LYS  61 -11.717  -8.709  22.559
  440    HG3  LYS  61           HG3      LYS  61 -11.994  -8.932  20.828
  441    HD2  LYS  61           HD2      LYS  61 -12.075 -11.120  21.611
  442    HD3  LYS  61           HD3      LYS  61 -10.433 -10.965  20.980
  443    HE2  LYS  61           HE2      LYS  61 -10.027 -12.009  23.010
  444    HE3  LYS  61           HE3      LYS  61  -9.802 -10.314  23.449
  445    HZ1  LYS  61           HZ1      LYS  61 -12.213 -10.384  24.204
  446    HZ2  LYS  61           HZ2      LYS  61 -12.180 -11.999  23.979
  447    HZ3  LYS  61           HZ3      LYS  61 -11.190 -11.323  25.088
  448    H    ARG  62           H        ARG  62  -7.958  -6.872  22.781
  449    HA   ARG  62           HA       ARG  62  -6.280  -5.201  20.992
  450    HB2  ARG  62           HB2      ARG  62  -7.594  -3.693  22.515
  451    HB3  ARG  62           HB3      ARG  62  -6.898  -4.523  23.904
  452    HG2  ARG  62           HG2      ARG  62  -4.621  -3.753  23.183
  453    HG3  ARG  62           HG3      ARG  62  -5.350  -2.945  21.793
  454    HD2  ARG  62           HD2      ARG  62  -4.896  -1.324  23.574
  455    HD3  ARG  62           HD3      ARG  62  -6.626  -1.467  23.300
  456    HE   ARG  62           HE       ARG  62  -6.927  -2.323  25.416
  457   HH11  ARG  62          HH11      ARG  62  -3.417  -2.336  24.850
  458   HH12  ARG  62          HH12      ARG  62  -3.084  -2.745  26.506
  459   HH21  ARG  62          HH21      ARG  62  -6.393  -2.843  27.521
  460   HH22  ARG  62          HH22      ARG  62  -4.731  -3.018  27.986
  461    H    GLU  63           H        GLU  63  -4.118  -5.646  21.150
  462    HA   GLU  63           HA       GLU  63  -2.677  -6.381  23.416
  463    HB2  GLU  63           HB2      GLU  63  -2.045  -8.716  23.118
  464    HB3  GLU  63           HB3      GLU  63  -3.750  -8.584  23.409
  465    HG2  GLU  63           HG2      GLU  63  -4.052  -8.736  20.841
  466    HG3  GLU  63           HG3      GLU  63  -2.342  -9.154  20.792
  467    H    ARG  64           H        ARG  64  -0.422  -7.579  22.617
  468    HA   ARG  64           HA       ARG  64   0.696  -5.559  20.900
  469    HB2  ARG  64           HB2      ARG  64   1.927  -7.930  22.324
  470    HB3  ARG  64           HB3      ARG  64   2.838  -6.886  21.226
  471    HG2  ARG  64           HG2      ARG  64   1.882  -4.900  22.589
  472    HG3  ARG  64           HG3      ARG  64   1.490  -6.088  23.830
  473    HD2  ARG  64           HD2      ARG  64   3.814  -6.652  24.119
  474    HD3  ARG  64           HD3      ARG  64   4.289  -5.840  22.628
  475    HE   ARG  64           HE       ARG  64   3.886  -4.630  25.236
  476   HH11  ARG  64          HH21      ARG  64   3.823  -3.853  21.774
  477   HH12  ARG  64          HH22      ARG  64   4.272  -2.189  22.041
  478   HH21  ARG  64          HH11      ARG  64   4.400  -2.459  25.508
  479   HH22  ARG  64          HH12      ARG  64   4.548  -1.410  24.131
  480    H    LEU  65           H        LEU  65   1.894  -5.776  18.985
  481    HA   LEU  65           HA       LEU  65   0.430  -7.070  16.917
  482    HB2  LEU  65           HB2      LEU  65   1.752  -5.056  16.510
  483    HB3  LEU  65           HB3      LEU  65   3.239  -5.879  16.975
  484    HG   LEU  65           HG       LEU  65   3.020  -7.390  14.992
  485   HD11  LEU  65          HD11      LEU  65   0.558  -7.282  14.647
  486   HD12  LEU  65          HD12      LEU  65   0.701  -5.571  14.200
  487   HD13  LEU  65          HD13      LEU  65   1.441  -6.831  13.188
  488   HD21  LEU  65          HD21      LEU  65   3.723  -5.773  13.344
  489   HD22  LEU  65          HD22      LEU  65   2.953  -4.445  14.238
  490   HD23  LEU  65          HD23      LEU  65   4.364  -5.290  14.922
  491    H    GLU  66           H        GLU  66   3.730  -7.915  18.111
  492    HA   GLU  66           HA       GLU  66   3.843 -10.369  16.610
  493    HB2  GLU  66           HB2      GLU  66   5.844 -10.852  17.894
  494    HB3  GLU  66           HB3      GLU  66   5.878  -9.232  17.229
  495    HG2  GLU  66           HG2      GLU  66   4.975  -9.643  20.100
  496    HG3  GLU  66           HG3      GLU  66   6.683  -9.733  19.692
  497    H    ASP  67           H        ASP  67   2.254  -9.692  19.661
  498    HA   ASP  67           HA       ASP  67   2.139 -12.501  20.449
  499    HB2  ASP  67           HB2      ASP  67   1.889 -10.478  21.988
  500    HB3  ASP  67           HB3      ASP  67   0.285 -10.232  21.293
  501    H    VAL  68           H        VAL  68   0.117 -10.292  18.508
  502    HA   VAL  68           HA       VAL  68  -1.850 -12.316  17.854
  503    HB   VAL  68           HB       VAL  68  -1.241  -9.759  16.325
  504   HG11  VAL  68          HG11      VAL  68  -2.448 -11.396  14.929
  505   HG12  VAL  68          HG12      VAL  68  -3.652 -11.627  16.211
  506   HG13  VAL  68          HG13      VAL  68  -3.515 -10.064  15.379
  507   HG21  VAL  68          HG21      VAL  68  -3.328 -10.347  18.465
  508   HG22  VAL  68          HG22      VAL  68  -1.990  -9.175  18.551
  509   HG23  VAL  68          HG23      VAL  68  -3.322  -8.911  17.428
  510    H    VAL  69           H        VAL  69   0.920 -10.898  15.954
  511    HA   VAL  69           HA       VAL  69   0.481 -12.841  13.860
  512    HB   VAL  69           HB       VAL  69   2.016 -11.606  12.582
  513   HG11  VAL  69          HG11      VAL  69   0.267  -9.648  14.091
  514   HG12  VAL  69          HG12      VAL  69   0.921  -9.441  12.456
  515   HG13  VAL  69          HG13      VAL  69  -0.254 -10.721  12.776
  516   HG21  VAL  69          HG21      VAL  69   3.782 -11.057  14.231
  517   HG22  VAL  69          HG22      VAL  69   3.301  -9.694  13.218
  518   HG23  VAL  69          HG23      VAL  69   2.720  -9.786  14.866
  519    H    GLY  70           H        GLY  70   2.199 -13.331  16.624
  520    HA2  GLY  70           HA2      GLY  70   4.790 -13.921  15.999
  521    HA3  GLY  70           HA3      GLY  70   3.873 -14.700  17.294
  522    H    GLY  71           H        GLY  71   2.127 -16.011  15.126
  523    HA2  GLY  71           HA2      GLY  71   4.067 -17.930  13.864
  524    HA3  GLY  71           HA3      GLY  71   2.601 -18.491  14.697
  525    H    CYS  72           H        CYS  72   2.499 -15.531  12.810
  526    HA   CYS  72           HA       CYS  72   0.657 -16.878  10.851
  527    HB2  CYS  72           HB2      CYS  72   0.395 -14.125  12.155
  528    HB3  CYS  72           HB3      CYS  72  -0.790 -14.895  11.102
  529    HG   CYS  72           HG       CYS  72  -1.210 -17.000  12.659
  530    H    CYS  73           H        CYS  73   0.189 -15.734   8.935
  531    HA   CYS  73           HA       CYS  73   2.364 -13.998   7.826
  532    HB2  CYS  73           HB2      CYS  73   0.126 -15.588   6.464
  533    HB3  CYS  73           HB3      CYS  73   1.249 -14.505   5.630
  534    HG   CYS  73           HG       CYS  73   2.050 -17.109   7.546
  535    H    TYR  74           H        TYR  74   1.774 -11.973   6.883
  536    HA   TYR  74           HA       TYR  74  -0.909 -10.916   7.057
  537    HB2  TYR  74           HB2      TYR  74  -0.624  -9.333   8.836
  538    HB3  TYR  74           HB3      TYR  74  -0.352 -10.939   9.473
  539    HD1  TYR  74           HD1      TYR  74   2.116 -11.726   9.794
  540    HD2  TYR  74           HD2      TYR  74   0.965  -7.622   9.150
  541    HE1  TYR  74           HE1      TYR  74   4.270 -10.971  10.766
  542    HE2  TYR  74           HE2      TYR  74   3.089  -6.863  10.178
  543    HH   TYR  74           HH       TYR  74   5.071  -7.497  11.139
  544    H    ARG  75           H        ARG  75  -1.123  -8.686   6.469
  545    HA   ARG  75           HA       ARG  75   1.211  -7.233   5.378
  546    HB2  ARG  75           HB2      ARG  75  -1.173  -8.119   3.681
  547    HB3  ARG  75           HB3      ARG  75  -0.094  -6.818   3.207
  548    HG2  ARG  75           HG2      ARG  75   0.731  -9.725   3.575
  549    HG3  ARG  75           HG3      ARG  75   0.418  -8.904   2.047
  550    HD2  ARG  75           HD2      ARG  75   2.300  -7.331   2.490
  551    HD3  ARG  75           HD3      ARG  75   2.626  -8.158   4.010
  552    HE   ARG  75           HE       ARG  75   3.539  -9.972   2.908
  553   HH11  ARG  75          HH11      ARG  75   2.164  -7.842   0.422
  554   HH12  ARG  75          HH12      ARG  75   2.999  -8.665  -0.860
  555   HH21  ARG  75          HH21      ARG  75   4.557 -10.985   1.208
  556   HH22  ARG  75          HH22      ARG  75   4.329 -10.418  -0.419
  557    H    VAL  76           H        VAL  76   0.776  -5.046   4.959
  558    HA   VAL  76           HA       VAL  76  -1.528  -3.841   6.446
  559    HB   VAL  76           HB       VAL  76   0.842  -2.492   5.091
  560   HG11  VAL  76          HG11      VAL  76  -1.232  -1.323   7.003
  561   HG12  VAL  76          HG12      VAL  76   0.146  -0.465   6.297
  562   HG13  VAL  76          HG13      VAL  76  -1.174  -1.010   5.256
  563   HG21  VAL  76          HG21      VAL  76   1.635  -2.050   7.383
  564   HG22  VAL  76          HG22      VAL  76   0.346  -3.092   8.033
  565   HG23  VAL  76          HG23      VAL  76   1.635  -3.774   7.010
  566    H    ASN  77           H        ASN  77  -3.273  -3.086   5.267
  567    HA   ASN  77           HA       ASN  77  -3.075  -2.404   2.449
  568    HB2  ASN  77           HB2      ASN  77  -3.041  -4.913   2.323
  569    HB3  ASN  77           HB3      ASN  77  -4.551  -4.952   3.240
  570   HD21  ASN  77          HD22      ASN  77  -5.901  -5.808   1.618
  571   HD22  ASN  77          HD21      ASN  77  -6.241  -4.930   0.116
  572    H    ASN  78           H        ASN  78  -4.690  -1.001   1.926
  573    HA   ASN  78           HA       ASN  78  -7.166  -0.878   3.524
  574    HB2  ASN  78           HB2      ASN  78  -5.149   0.206   4.756
  575    HB3  ASN  78           HB3      ASN  78  -5.252   1.483   3.561
  576   HD21  ASN  78          HD22      ASN  78  -5.485   2.186   6.124
  577   HD22  ASN  78          HD21      ASN  78  -7.157   2.605   6.504
  578    H    SER  79           H        SER  79  -7.208  -1.486   0.908
  579    HA   SER  79           HA       SER  79  -7.032   0.499  -0.992
  580    HB2  SER  79           HB2      SER  79  -8.956  -1.848  -0.910
  581    HB3  SER  79           HB3      SER  79  -8.596  -0.882  -2.359
  582    HG   SER  79           HG       SER  79  -7.328  -2.852  -2.082
  583    H    LEU  80           H        LEU  80  -9.858   0.121   1.156
  584    HA   LEU  80           HA       LEU  80 -11.534   1.851  -0.437
  585    HB2  LEU  80           HB2      LEU  80 -12.302   0.110   1.278
  586    HB3  LEU  80           HB3      LEU  80 -11.786   1.249   2.538
  587    HG   LEU  80           HG       LEU  80 -13.380   2.922   1.678
  588   HD11  LEU  80          HD11      LEU  80 -14.237   0.700  -0.237
  589   HD12  LEU  80          HD12      LEU  80 -15.193   2.157   0.087
  590   HD13  LEU  80          HD13      LEU  80 -13.619   2.309  -0.683
  591   HD21  LEU  80          HD21      LEU  80 -14.058   1.412   3.493
  592   HD22  LEU  80          HD22      LEU  80 -15.437   1.794   2.464
  593   HD23  LEU  80          HD23      LEU  80 -14.630   0.215   2.311
  594    H    ASP  81           H        ASP  81  -9.325   2.464   2.278
  595    HA   ASP  81           HA       ASP  81  -9.844   5.300   2.577
  596    HB2  ASP  81           HB2      ASP  81  -8.681   4.282   4.353
  597    HB3  ASP  81           HB3      ASP  81  -7.678   3.322   3.283
  598    H    HIS  82           H        HIS  82  -7.649   3.358   0.567
  599    HA   HIS  82           HA       HIS  82  -6.311   5.538  -0.703
  600    HB2  HIS  82           HB2      HIS  82  -6.763   2.711  -1.741
  601    HB3  HIS  82           HB3      HIS  82  -5.570   3.847  -2.322
  602    HD1  HIS  82           HD1      HIS  82  -5.284   4.136   1.349
  603    HD2  HIS  82           HD2      HIS  82  -4.223   1.361  -1.637
  604    HE1  HIS  82           HE1      HIS  82  -3.436   2.700   2.324
  605    H    GLU  83           H        GLU  83  -9.583   4.551  -1.176
  606    HA   GLU  83           HA       GLU  83  -9.838   5.503  -3.925
  607    HB2  GLU  83           HB2      GLU  83 -11.918   5.036  -1.756
  608    HB3  GLU  83           HB3      GLU  83 -12.296   5.575  -3.378
  609    HG2  GLU  83           HG2      GLU  83 -10.890   2.947  -2.786
  610    HG3  GLU  83           HG3      GLU  83 -12.622   3.126  -3.017
  611    H    TYR  84           H        TYR  84  -9.675   7.103  -0.798
  612    HA   TYR  84           HA       TYR  84 -10.170   9.699  -2.114
  613    HB2  TYR  84           HB2      TYR  84 -12.038  10.066  -0.212
  614    HB3  TYR  84           HB3      TYR  84 -12.345   9.590  -1.862
  615    HD1  TYR  84           HD1      TYR  84 -11.619   7.897   1.462
  616    HD2  TYR  84           HD2      TYR  84 -13.898   7.930  -2.202
  617    HE1  TYR  84           HE1      TYR  84 -12.969   5.969   2.284
  618    HE2  TYR  84           HE2      TYR  84 -15.285   6.051  -1.356
  619    HH   TYR  84           HH       TYR  84 -14.809   4.690   1.920
  620    H    GLN  85           H        GLN  85  -9.303   8.268   1.109
  621    HA   GLN  85           HA       GLN  85  -9.452  11.064   2.083
  622    HB2  GLN  85           HB2      GLN  85  -9.769  10.223   4.264
  623    HB3  GLN  85           HB3      GLN  85 -10.858   9.387   3.162
  624    HG2  GLN  85           HG2      GLN  85  -9.393   7.394   3.218
  625    HG3  GLN  85           HG3      GLN  85  -8.244   8.269   4.240
  626   HE21  GLN  85          HE22      GLN  85 -11.557   6.798   4.265
  627   HE22  GLN  85          HE21      GLN  85 -11.600   6.757   6.030
  628    HA   PRO  86           HA       PRO  86  -5.025  11.233   3.083
  629    HB2  PRO  86           HB2      PRO  86  -4.952  13.452   4.636
  630    HB3  PRO  86           HB3      PRO  86  -5.256  13.534   2.872
  631    HG2  PRO  86           HG2      PRO  86  -7.296  13.593   5.121
  632    HG3  PRO  86           HG3      PRO  86  -7.184  14.675   3.700
  633    HD2  PRO  86           HD2      PRO  86  -8.858  12.509   3.771
  634    HD3  PRO  86           HD3      PRO  86  -8.065  13.039   2.261
  635    H    ARG  87           H        ARG  87  -7.591  11.185   5.495
  636    HA   ARG  87           HA       ARG  87  -7.951  10.140   7.334
  637    HB2  ARG  87           HB2      ARG  87  -6.784   8.368   6.103
  638    HB3  ARG  87           HB3      ARG  87  -5.312   8.686   7.035
  639    HG2  ARG  87           HG2      ARG  87  -6.358   8.086   9.093
  640    HG3  ARG  87           HG3      ARG  87  -7.978   8.182   8.393
  641    HD2  ARG  87           HD2      ARG  87  -7.694   5.919   8.529
  642    HD3  ARG  87           HD3      ARG  87  -7.292   6.229   6.862
  643    HE   ARG  87           HE       ARG  87  -5.452   5.474   9.085
  644   HH11  ARG  87          HH11      ARG  87  -5.600   6.184   5.595
  645   HH12  ARG  87          HH12      ARG  87  -3.894   5.909   5.410
  646   HH21  ARG  87          HH21      ARG  87  -3.349   5.073   8.745
  647   HH22  ARG  87          HH22      ARG  87  -2.630   5.243   7.159
  648    HA   PRO  88           HA       PRO  88  -5.762  12.715  10.410
  649    HB2  PRO  88           HB2      PRO  88  -7.759  12.997  12.205
  650    HB3  PRO  88           HB3      PRO  88  -7.788  13.812  10.622
  651    HG2  PRO  88           HG2      PRO  88  -9.198  11.227  11.381
  652    HG3  PRO  88           HG3      PRO  88  -9.870  12.659  10.539
  653    HD2  PRO  88           HD2      PRO  88  -8.936  10.426   9.243
  654    HD3  PRO  88           HD3      PRO  88  -8.833  12.072   8.529
  655    H    VAL  89           H        VAL  89  -4.241  11.124  10.865
  656    HA   VAL  89           HA       VAL  89  -4.578   8.558  11.774
  657    HB   VAL  89           HB       VAL  89  -2.297  10.507  12.100
  658   HG11  VAL  89          HG11      VAL  89  -0.789   8.587  12.676
  659   HG12  VAL  89          HG12      VAL  89  -1.879   9.048  13.981
  660   HG13  VAL  89          HG13      VAL  89  -2.236   7.609  13.009
  661   HG21  VAL  89          HG21      VAL  89  -2.675   7.991  10.413
  662   HG22  VAL  89          HG22      VAL  89  -2.858   9.662   9.832
  663   HG23  VAL  89          HG23      VAL  89  -1.274   9.085  10.359
  664    H    GLU  90           H        GLU  90  -4.163  11.358  14.001
  665    HA   GLU  90           HA       GLU  90  -4.170   9.689  16.363
  666    HB2  GLU  90           HB2      GLU  90  -4.132  11.604  17.651
  667    HB3  GLU  90           HB3      GLU  90  -3.144  11.955  16.241
  668    HG2  GLU  90           HG2      GLU  90  -5.971  12.958  16.772
  669    HG3  GLU  90           HG3      GLU  90  -4.485  13.876  16.962
  670    H    VAL  91           H        VAL  91  -6.759  11.495  14.671
  671    HA   VAL  91           HA       VAL  91  -8.857  10.710  16.484
  672    HB   VAL  91           HB       VAL  91  -8.891  11.606  13.609
  673   HG11  VAL  91          HG11      VAL  91 -11.335  10.993  15.325
  674   HG12  VAL  91          HG12      VAL  91 -11.354  11.923  13.810
  675   HG13  VAL  91          HG13      VAL  91 -10.897  10.222  13.780
  676   HG21  VAL  91          HG21      VAL  91  -9.844  13.660  14.567
  677   HG22  VAL  91          HG22      VAL  91  -9.861  12.924  16.185
  678   HG23  VAL  91          HG23      VAL  91  -8.321  13.276  15.378
  679    H    ILE  92           H        ILE  92  -7.510   8.986  13.624
  680    HA   ILE  92           HA       ILE  92  -9.395   6.756  13.732
  681    HB   ILE  92           HB       ILE  92  -6.479   6.735  12.823
  682   HG12  ILE  92          HG12      ILE  92  -7.415   8.278  11.375
  683   HG13  ILE  92          HG13      ILE  92  -7.536   6.763  10.534
  684   HG21  ILE  92          HG21      ILE  92  -8.739   4.777  12.263
  685   HG22  ILE  92          HG22      ILE  92  -7.138   4.751  11.503
  686   HG23  ILE  92          HG23      ILE  92  -7.284   4.464  13.230
  687   HD11  ILE  92          HD11      ILE  92  -9.971   6.663  11.082
  688   HD12  ILE  92          HD12      ILE  92  -9.830   8.244  11.888
  689   HD13  ILE  92          HD13      ILE  92  -9.533   8.110  10.155
  690    H    ILE  93           H        ILE  93  -6.179   7.194  15.250
  691    HA   ILE  93           HA       ILE  93  -6.222   4.716  16.722
  692    HB   ILE  93           HB       ILE  93  -4.738   7.352  17.145
  693   HG12  ILE  93          HG12      ILE  93  -3.736   4.656  16.112
  694   HG13  ILE  93          HG13      ILE  93  -4.262   5.956  15.063
  695   HG21  ILE  93          HG21      ILE  93  -3.231   6.114  18.695
  696   HG22  ILE  93          HG22      ILE  93  -4.857   6.228  19.325
  697   HG23  ILE  93          HG23      ILE  93  -4.306   4.702  18.587
  698   HD11  ILE  93          HD11      ILE  93  -1.872   6.062  16.944
  699   HD12  ILE  93          HD12      ILE  93  -1.861   6.007  15.182
  700   HD13  ILE  93          HD13      ILE  93  -2.493   7.444  16.003
  701    H    SER  94           H        SER  94  -7.449   7.943  17.558
  702    HA   SER  94           HA       SER  94  -8.214   7.263  20.248
  703    HB2  SER  94           HB2      SER  94  -9.398   9.381  18.411
  704    HB3  SER  94           HB3      SER  94  -9.575   9.297  20.169
  705    HG   SER  94           HG       SER  94  -7.206   9.758  18.650
  706    H    SER  95           H        SER  95  -9.932   7.118  17.123
  707    HA   SER  95           HA       SER  95 -12.498   6.324  18.111
  708    HB2  SER  95           HB2      SER  95 -11.103   5.853  15.449
  709    HB3  SER  95           HB3      SER  95 -12.805   5.455  15.769
  710    HG   SER  95           HG       SER  95 -11.556   8.007  15.753
  711    H    ALA  96           H        ALA  96  -9.662   4.397  17.002
  712    HA   ALA  96           HA       ALA  96 -10.750   1.810  17.456
  713    HB1  ALA  96           HB1      ALA  96  -7.857   2.744  17.700
  714    HB2  ALA  96           HB2      ALA  96  -8.434   1.104  17.315
  715    HB3  ALA  96           HB3      ALA  96  -8.680   2.428  16.166
  716    H    LYS  97           H        LYS  97  -8.757   3.860  19.649
  717    HA   LYS  97           HA       LYS  97  -8.977   2.142  21.950
  718    HB2  LYS  97           HB2      LYS  97  -8.344   5.096  21.615
  719    HB3  LYS  97           HB3      LYS  97  -8.245   4.234  23.159
  720    HG2  LYS  97           HG2      LYS  97  -6.527   2.736  22.317
  721    HG3  LYS  97           HG3      LYS  97  -6.617   3.449  20.699
  722    HD2  LYS  97           HD2      LYS  97  -5.934   5.661  21.640
  723    HD3  LYS  97           HD3      LYS  97  -5.845   4.935  23.257
  724    HE2  LYS  97           HE2      LYS  97  -4.098   3.350  22.450
  725    HE3  LYS  97           HE3      LYS  97  -4.165   4.109  20.846
  726    HZ1  LYS  97           HZ1      LYS  97  -3.443   6.201  21.894
  727    HZ2  LYS  97           HZ2      LYS  97  -3.361   5.487  23.362
  728    HZ3  LYS  97           HZ3      LYS  97  -2.345   5.020  22.167
  729    H    GLU  98           H        GLU  98 -11.312   4.484  20.689
  730    HA   GLU  98           HA       GLU  98 -12.929   4.385  23.105
  731    HB2  GLU  98           HB2      GLU  98 -13.382   5.513  20.334
  732    HB3  GLU  98           HB3      GLU  98 -14.700   5.361  21.499
  733    HG2  GLU  98           HG2      GLU  98 -13.437   6.689  23.155
  734    HG3  GLU  98           HG3      GLU  98 -12.122   6.903  22.002
  735    H    MET  99           H        MET  99 -13.125   2.785  19.891
  736    HA   MET  99           HA       MET  99 -15.494   1.255  20.657
  737    HB2  MET  99           HB2      MET  99 -15.382   0.241  18.554
  738    HB3  MET  99           HB3      MET  99 -15.059   1.971  18.370
  739    HG2  MET  99           HG2      MET  99 -12.650   1.464  18.192
  740    HG3  MET  99           HG3      MET  99 -12.983  -0.261  18.276
  741    HE1  MET  99           HE1      MET  99 -15.462  -0.840  16.555
  742    HE2  MET  99           HE2      MET  99 -14.728  -1.075  14.948
  743    HE3  MET  99           HE3      MET  99 -13.911  -1.688  16.397
  744    H    VAL 100           H        VAL 100 -12.116   0.574  21.056
  745    HA   VAL 100           HA       VAL 100 -12.004  -2.106  21.415
  746    HB   VAL 100           HB       VAL 100 -10.228  -0.432  22.041
  747   HG11  VAL 100          HG11      VAL 100  -9.907   0.330  24.247
  748   HG12  VAL 100          HG12      VAL 100 -11.588   0.743  23.844
  749   HG13  VAL 100          HG13      VAL 100 -11.242  -0.648  24.887
  750   HG21  VAL 100          HG21      VAL 100  -9.955  -2.883  22.234
  751   HG22  VAL 100          HG22      VAL 100  -9.059  -2.015  23.500
  752   HG23  VAL 100          HG23      VAL 100 -10.583  -2.825  23.894
  753    H    GLY 101           H        GLY 101 -12.943  -3.686  22.435
  754    HA2  GLY 101           HA2      GLY 101 -14.083  -4.869  24.090
  755    HA3  GLY 101           HA3      GLY 101 -14.404  -3.361  24.974
  756    H    GLN 102           H        GLN 102 -15.473  -2.637  21.859
  757    HA   GLN 102           HA       GLN 102 -18.222  -3.148  22.619
  758    HB2  GLN 102           HB2      GLN 102 -18.913  -1.967  20.790
  759    HB3  GLN 102           HB3      GLN 102 -17.444  -1.133  21.275
  760    HG2  GLN 102           HG2      GLN 102 -16.245  -2.048  19.328
  761    HG3  GLN 102           HG3      GLN 102 -17.568  -3.156  18.980
  762   HE21  GLN 102          HE22      GLN 102 -18.025  -2.401  16.870
  763   HE22  GLN 102          HE21      GLN 102 -18.607  -0.766  16.580
  764    H    LYS 103           H        LYS 103 -19.740  -4.191  21.262
  765    HA   LYS 103           HA       LYS 103 -18.775  -6.738  20.040
  766    HB2  LYS 103           HB2      LYS 103 -21.099  -6.320  21.973
  767    HB3  LYS 103           HB3      LYS 103 -20.777  -7.828  21.111
  768    HG2  LYS 103           HG2      LYS 103 -18.560  -8.002  22.216
  769    HG3  LYS 103           HG3      LYS 103 -18.894  -6.510  23.117
  770    HD2  LYS 103           HD2      LYS 103 -20.878  -7.567  24.155
  771    HD3  LYS 103           HD3      LYS 103 -20.542  -9.074  23.271
  772    HE2  LYS 103           HE2      LYS 103 -18.327  -9.230  24.379
  773    HE3  LYS 103           HE3      LYS 103 -18.639  -7.717  25.241
  774    HZ1  LYS 103           HZ1      LYS 103 -19.120  -9.643  26.626
  775    HZ2  LYS 103           HZ2      LYS 103 -20.501  -8.814  26.363
  776    HZ3  LYS 103           HZ3      LYS 103 -20.217 -10.216  25.559
  777    H    MET 104           H        MET 104 -20.107  -7.705  18.447
  778    HA   MET 104           HA       MET 104 -22.303  -6.060  17.245
  779    HB2  MET 104           HB2      MET 104 -19.792  -6.916  15.730
  780    HB3  MET 104           HB3      MET 104 -21.243  -6.221  15.001
  781    HG2  MET 104           HG2      MET 104 -20.909  -4.202  16.536
  782    HG3  MET 104           HG3      MET 104 -19.303  -4.845  16.889
  783    HE1  MET 104           HE1      MET 104 -18.472  -6.102  14.043
  784    HE2  MET 104           HE2      MET 104 -17.612  -4.736  13.334
  785    HE3  MET 104           HE3      MET 104 -17.377  -5.130  15.057
  786    H    LYS 105           H        LYS 105 -23.812  -7.200  16.076
  787    HA   LYS 105           HA       LYS 105 -23.229  -9.930  15.153
  788    HB2  LYS 105           HB2      LYS 105 -24.237  -9.827  17.640
  789    HB3  LYS 105           HB3      LYS 105 -25.759  -9.667  16.772
  790    HG2  LYS 105           HG2      LYS 105 -24.941 -11.771  15.416
  791    HG3  LYS 105           HG3      LYS 105 -23.695 -11.913  16.634
  792    HD2  LYS 105           HD2      LYS 105 -26.680 -12.244  16.910
  793    HD3  LYS 105           HD3      LYS 105 -25.386 -13.400  17.275
  794    HE2  LYS 105           HE2      LYS 105 -24.747 -12.127  19.266
  795    HE3  LYS 105           HE3      LYS 105 -25.902 -10.850  18.875
  796    HZ1  LYS 105           HZ1      LYS 105 -26.800 -12.370  20.539
  797    HZ2  LYS 105           HZ2      LYS 105 -27.705 -12.446  19.184
  798    HZ3  LYS 105           HZ3      LYS 105 -26.659 -13.655  19.529
  799    H    TYR 106           H        TYR 106 -26.129 -10.409  14.679
  800    HA   TYR 106           HA       TYR 106 -27.823 -10.113  13.254
  801    HB2  TYR 106           HB2      TYR 106 -28.016  -7.905  14.328
  802    HB3  TYR 106           HB3      TYR 106 -26.967  -7.198  13.111
  803    HD1  TYR 106           HD2      TYR 106 -30.276  -8.814  13.663
  804    HD2  TYR 106           HD1      TYR 106 -27.781  -6.610  10.918
  805    HE1  TYR 106           HE2      TYR 106 -32.244  -8.424  12.197
  806    HE2  TYR 106           HE1      TYR 106 -29.749  -6.210   9.450
  807    HH   TYR 106           HH       TYR 106 -33.011  -7.460  10.258
  808    H    SER 107           H        SER 107 -25.132  -8.201  11.834
  809    HA   SER 107           HA       SER 107 -25.781  -8.939   9.099
  810    HB2  SER 107           HB2      SER 107 -23.238  -7.741  10.279
  811    HB3  SER 107           HB3      SER 107 -23.669  -7.798   8.559
  812    HG   SER 107           HG       SER 107 -24.227  -5.780   9.467
  813    H    ILE 108           H        ILE 108 -24.277 -10.049   7.609
  814    HA   ILE 108           HA       ILE 108 -23.424 -12.632   8.538
  815    HB   ILE 108           HB       ILE 108 -22.470 -12.925   6.276
  816   HG12  ILE 108          HG12      ILE 108 -23.301 -10.032   5.747
  817   HG13  ILE 108          HG13      ILE 108 -21.647 -10.627   5.879
  818   HG21  ILE 108          HG21      ILE 108 -24.596 -12.942   5.124
  819   HG22  ILE 108          HG22      ILE 108 -24.890 -13.309   6.821
  820   HG23  ILE 108          HG23      ILE 108 -25.257 -11.686   6.189
  821   HD11  ILE 108          HD11      ILE 108 -22.064 -12.121   3.902
  822   HD12  ILE 108          HD12      ILE 108 -23.656 -11.345   3.714
  823   HD13  ILE 108          HD13      ILE 108 -22.180 -10.384   3.555
  824    H    VAL 109           H        VAL 109 -21.316 -13.542   8.686
  825    HA   VAL 109           HA       VAL 109 -19.715 -11.969  10.366
  826    HB   VAL 109           HB       VAL 109 -18.124 -13.759  10.524
  827   HG11  VAL 109          HG11      VAL 109 -20.917 -14.945  10.306
  828   HG12  VAL 109          HG12      VAL 109 -19.571 -15.523  11.294
  829   HG13  VAL 109          HG13      VAL 109 -20.327 -13.965  11.657
  830   HG21  VAL 109          HG21      VAL 109 -18.298 -15.832   9.172
  831   HG22  VAL 109          HG22      VAL 109 -19.517 -15.063   8.138
  832   HG23  VAL 109          HG23      VAL 109 -17.855 -14.449   8.171
  833    H    SER 110           H        SER 110 -19.270 -12.395   6.877
  834    HA   SER 110           HA       SER 110 -16.625 -11.201   6.728
  835    HB2  SER 110           HB2      SER 110 -17.295 -10.872   4.320
  836    HB3  SER 110           HB3      SER 110 -17.406 -12.539   4.907
  837    HG   SER 110           HG       SER 110 -19.268 -11.907   3.703
  838    H    ARG 111           H        ARG 111 -19.971  -9.872   6.435
  839    HA   ARG 111           HA       ARG 111 -18.976  -7.184   6.137
  840    HB2  ARG 111           HB2      ARG 111 -21.273  -8.035   5.365
  841    HB3  ARG 111           HB3      ARG 111 -21.774  -7.915   7.054
  842    HG2  ARG 111           HG2      ARG 111 -22.444  -5.868   5.997
  843    HG3  ARG 111           HG3      ARG 111 -21.032  -5.441   6.966
  844    HD2  ARG 111           HD2      ARG 111 -19.622  -5.673   4.883
  845    HD3  ARG 111           HD3      ARG 111 -21.103  -5.945   3.955
  846    HE   ARG 111           HE       ARG 111 -21.503  -3.588   5.412
  847   HH11  ARG 111          HH11      ARG 111 -18.986  -4.557   3.090
  848   HH12  ARG 111          HH12      ARG 111 -18.885  -2.950   2.426
  849   HH21  ARG 111          HH21      ARG 111 -21.257  -1.569   4.579
  850   HH22  ARG 111          HH22      ARG 111 -20.110  -1.251   3.312
  851    H    ASN 112           H        ASN 112 -19.847  -9.112   8.962
  852    HA   ASN 112           HA       ASN 112 -19.734  -7.101  10.960
  853    HB2  ASN 112           HB2      ASN 112 -20.324  -9.572  11.171
  854    HB3  ASN 112           HB3      ASN 112 -18.599  -9.924  11.184
  855   HD21  ASN 112          HD22      ASN 112 -21.287  -9.168  13.129
  856   HD22  ASN 112          HD21      ASN 112 -20.388  -8.873  14.609
  857    H    CYS 113           H        CYS 113 -17.021  -8.917   9.462
  858    HA   CYS 113           HA       CYS 113 -14.865  -7.495  10.701
  859    HB2  CYS 113           HB2      CYS 113 -15.118  -9.147   8.131
  860    HB3  CYS 113           HB3      CYS 113 -13.590  -8.559   8.760
  861    HG   CYS 113           HG       CYS 113 -13.754 -11.028   9.398
  862    H    GLU 114           H        GLU 114 -16.409  -6.942   7.451
  863    HA   GLU 114           HA       GLU 114 -14.767  -4.668   6.848
  864    HB2  GLU 114           HB2      GLU 114 -17.594  -5.304   5.896
  865    HB3  GLU 114           HB3      GLU 114 -16.570  -4.029   5.240
  866    HG2  GLU 114           HG2      GLU 114 -14.851  -5.786   4.660
  867    HG3  GLU 114           HG3      GLU 114 -16.042  -7.017   5.088
  868    H    HIS 115           H        HIS 115 -18.016  -4.764   8.453
  869    HA   HIS 115           HA       HIS 115 -18.241  -1.948   8.841
  870    HB2  HIS 115           HB2      HIS 115 -19.429  -4.349  10.268
  871    HB3  HIS 115           HB3      HIS 115 -19.710  -2.711  10.824
  872    HD1  HIS 115           HD1      HIS 115 -22.333  -3.420  10.197
  873    HD2  HIS 115           HD2      HIS 115 -19.640  -2.547   7.090
  874    HE1  HIS 115           HE1      HIS 115 -23.749  -2.873   8.152
  875    H    PHE 116           H        PHE 116 -16.500  -4.447  10.778
  876    HA   PHE 116           HA       PHE 116 -15.713  -2.700  12.914
  877    HB2  PHE 116           HB2      PHE 116 -15.374  -4.977  13.294
  878    HB3  PHE 116           HB3      PHE 116 -14.614  -5.264  11.764
  879    HD1  PHE 116           HD2      PHE 116 -14.096  -3.550  15.044
  880    HD2  PHE 116           HD1      PHE 116 -12.249  -5.228  11.533
  881    HE1  PHE 116           HE2      PHE 116 -11.854  -3.281  16.085
  882    HE2  PHE 116           HE1      PHE 116 -10.015  -4.990  12.603
  883    HZ   PHE 116           HZ       PHE 116  -9.817  -4.038  14.880
  884    H    VAL 117           H        VAL 117 -13.832  -3.480   9.869
  885    HA   VAL 117           HA       VAL 117 -12.004  -1.317  10.531
  886    HB   VAL 117           HB       VAL 117 -11.158  -1.477   8.141
  887   HG11  VAL 117          HG11      VAL 117  -9.881  -3.490   8.714
  888   HG12  VAL 117          HG12      VAL 117 -10.000  -2.357  10.066
  889   HG13  VAL 117          HG13      VAL 117 -11.011  -3.817  10.055
  890   HG21  VAL 117          HG21      VAL 117 -12.737  -4.061   8.078
  891   HG22  VAL 117          HG22      VAL 117 -13.157  -2.599   7.153
  892   HG23  VAL 117          HG23      VAL 117 -11.625  -3.429   6.856
  893    H    THR 118           H        THR 118 -15.064  -1.158   8.870
  894    HA   THR 118           HA       THR 118 -14.564   1.534   7.804
  895    HB   THR 118           HB       THR 118 -17.304   0.538   8.549
  896    HG1  THR 118           HG1      THR 118 -16.212  -1.071   7.212
  897   HG21  THR 118          HG21      THR 118 -17.105   2.881   7.794
  898   HG22  THR 118          HG22      THR 118 -16.273   2.337   6.320
  899   HG23  THR 118          HG23      THR 118 -17.968   1.887   6.613
  900    H    GLN 119           H        GLN 119 -15.982   0.306  10.898
  901    HA   GLN 119           HA       GLN 119 -16.328   2.925  12.057
  902    HB2  GLN 119           HB2      GLN 119 -16.035   0.131  13.178
  903    HB3  GLN 119           HB3      GLN 119 -16.113   1.538  14.244
  904    HG2  GLN 119           HG2      GLN 119 -18.283   2.170  13.514
  905    HG3  GLN 119           HG3      GLN 119 -18.217   1.115  12.099
  906   HE21  GLN 119          HE22      GLN 119 -18.152  -1.232  12.477
  907   HE22  GLN 119          HE21      GLN 119 -19.042  -1.873  13.873
  908    H    LEU 120           H        LEU 120 -13.404   0.942  11.687
  909    HA   LEU 120           HA       LEU 120 -11.781   2.695  13.343
  910    HB2  LEU 120           HB2      LEU 120 -11.062   0.650  11.208
  911    HB3  LEU 120           HB3      LEU 120  -9.878   1.523  12.168
  912    HG   LEU 120           HG       LEU 120 -12.045  -0.220  13.435
  913   HD11  LEU 120          HD11      LEU 120 -10.871  -1.847  12.287
  914   HD12  LEU 120          HD12      LEU 120  -9.352  -0.936  12.286
  915   HD13  LEU 120          HD13      LEU 120  -9.902  -1.746  13.763
  916   HD21  LEU 120          HD21      LEU 120 -10.599  -0.180  15.401
  917   HD22  LEU 120          HD22      LEU 120  -9.405   0.804  14.537
  918   HD23  LEU 120          HD23      LEU 120 -10.996   1.477  14.931
  919    H    ARG 121           H        ARG 121 -11.926   2.405   9.715
  920    HA   ARG 121           HA       ARG 121 -10.559   4.960   9.461
  921    HB2  ARG 121           HB2      ARG 121 -10.493   4.633   7.150
  922    HB3  ARG 121           HB3      ARG 121 -10.249   3.041   7.862
  923    HG2  ARG 121           HG2      ARG 121 -12.577   2.416   7.326
  924    HG3  ARG 121           HG3      ARG 121 -12.919   4.040   6.745
  925    HD2  ARG 121           HD2      ARG 121 -12.604   2.755   4.801
  926    HD3  ARG 121           HD3      ARG 121 -11.163   3.735   4.978
  927    HE   ARG 121           HE       ARG 121  -9.878   1.836   5.265
  928   HH11  ARG 121          HH11      ARG 121 -13.258   0.764   5.599
  929   HH12  ARG 121          HH12      ARG 121 -12.833  -0.892   5.325
  930   HH21  ARG 121          HH21      ARG 121  -9.420  -0.258   4.997
  931   HH22  ARG 121          HH22      ARG 121 -10.658  -1.492   5.054
  932    H    TYR 122           H        TYR 122 -13.542   4.618  10.485
  933    HA   TYR 122           HA       TYR 122 -15.379   5.853   8.941
  934    HB2  TYR 122           HB2      TYR 122 -15.449   4.786  11.326
  935    HB3  TYR 122           HB3      TYR 122 -15.213   6.399  11.925
  936    HD1  TYR 122           HD1      TYR 122 -17.500   4.074  10.191
  937    HD2  TYR 122           HD2      TYR 122 -17.034   8.081  11.739
  938    HE1  TYR 122           HE1      TYR 122 -19.954   4.422  10.015
  939    HE2  TYR 122           HE2      TYR 122 -19.489   8.431  11.564
  940    HH   TYR 122           HH       TYR 122 -21.697   5.887  10.333
  941    H    GLY 123           H        GLY 123 -12.811   7.349  10.746
  942    HA2  GLY 123           HA2      GLY 123 -13.652   9.918  11.363
  943    HA3  GLY 123           HA3      GLY 123 -11.959   9.446  11.067
  944    H    LYS 124           H        LYS 124 -12.540   8.834   8.188
  945    HA   LYS 124           HA       LYS 124 -13.319  11.460   7.063
  946    HB2  LYS 124           HB2      LYS 124 -10.830  11.347   7.835
  947    HB3  LYS 124           HB3      LYS 124 -10.572  10.283   6.477
  948    HG2  LYS 124           HG2      LYS 124  -9.873  12.522   5.929
  949    HG3  LYS 124           HG3      LYS 124 -11.283  12.147   4.941
  950    HD2  LYS 124           HD2      LYS 124 -12.721  13.490   6.440
  951    HD3  LYS 124           HD3      LYS 124 -11.345  13.771   7.530
  952    HE2  LYS 124           HE2      LYS 124 -10.136  14.936   5.693
  953    HE3  LYS 124           HE3      LYS 124 -11.504  14.638   4.603
  954    HZ1  LYS 124           HZ1      LYS 124 -11.597  16.870   5.560
  955    HZ2  LYS 124           HZ2      LYS 124 -12.884  16.005   6.064
  956    HZ3  LYS 124           HZ3      LYS 124 -11.628  16.279   7.082
  957    H    SER 125           H        SER 125 -14.142   8.504   6.882
  958    HA   SER 125           HA       SER 125 -13.899   7.924   3.986
  959    HB2  SER 125           HB2      SER 125 -13.820   6.074   5.711
  960    HB3  SER 125           HB3      SER 125 -15.520   6.444   6.095
  961    HG   SER 125           HG       SER 125 -15.735   6.413   3.707
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   0.806 -14.217 -15.764
    2    H2   MET   1           H2       MET   1   0.386 -14.157 -14.183
    3    H3   MET   1           H3       MET   1  -0.074 -12.955 -15.195
    4    HA   MET   1           HA       MET   1   2.681 -13.617 -14.400
    5    HB2  MET   1           HB2      MET   1   3.524 -11.815 -15.672
    6    HB3  MET   1           HB3      MET   1   2.536 -12.776 -16.753
    7    HG2  MET   1           HG2      MET   1   1.707 -10.137 -15.456
    8    HG3  MET   1           HG3      MET   1   2.348 -10.324 -17.079
    9    HE1  MET   1           HE1      MET   1  -1.352  -9.242 -17.734
   10    HE2  MET   1           HE2      MET   1  -0.307  -8.716 -16.393
   11    HE3  MET   1           HE3      MET   1   0.362  -8.883 -18.034
   12    H    ALA   2           H        ALA   2   3.798 -11.750 -13.302
   13    HA   ALA   2           HA       ALA   2   4.071 -10.337 -11.576
   14    HB1  ALA   2           HB1      ALA   2   2.728  -8.857 -13.099
   15    HB2  ALA   2           HB2      ALA   2   1.279  -9.278 -12.164
   16    HB3  ALA   2           HB3      ALA   2   2.631  -8.421 -11.391
   17    H    SER   3           H        SER   3   2.408  -9.330  -9.568
   18    HA   SER   3           HA       SER   3   0.859 -11.283  -8.158
   19    HB2  SER   3           HB2      SER   3   3.797 -11.002  -7.421
   20    HB3  SER   3           HB3      SER   3   2.592 -11.479  -6.218
   21    HG   SER   3           HG       SER   3   2.779 -12.818  -8.700
   22    HA   PRO   4           HA       PRO   4  -0.106  -7.505  -5.979
   23    HB2  PRO   4           HB2      PRO   4  -1.216  -8.365  -3.639
   24    HB3  PRO   4           HB3      PRO   4  -2.005  -8.608  -5.228
   25    HG2  PRO   4           HG2      PRO   4  -0.272 -10.574  -3.691
   26    HG3  PRO   4           HG3      PRO   4  -1.888 -10.865  -4.406
   27    HD2  PRO   4           HD2      PRO   4   0.395 -11.555  -5.705
   28    HD3  PRO   4           HD3      PRO   4  -1.008 -10.902  -6.598
   29    H    HIS   5           H        HIS   5   0.490  -6.150  -4.169
   30    HA   HIS   5           HA       HIS   5   2.540  -6.980  -2.268
   31    HB2  HIS   5           HB2      HIS   5   3.830  -6.652  -4.385
   32    HB3  HIS   5           HB3      HIS   5   3.199  -5.016  -4.506
   33    HD1  HIS   5           HD1      HIS   5   5.509  -7.094  -2.160
   34    HD2  HIS   5           HD2      HIS   5   4.555  -3.142  -3.255
   35    HE1  HIS   5           HE1      HIS   5   7.201  -5.593  -0.981
   36    H    GLN   6           H        GLN   6   3.038  -5.276  -0.715
   37    HA   GLN   6           HA       GLN   6   1.555  -2.812  -0.592
   38    HB2  GLN   6           HB2      GLN   6   0.067  -3.375   1.235
   39    HB3  GLN   6           HB3      GLN   6  -0.325  -4.346  -0.175
   40    HG2  GLN   6           HG2      GLN   6   1.308  -5.370   2.190
   41    HG3  GLN   6           HG3      GLN   6  -0.438  -5.501   2.039
   42   HE21  GLN   6          HE22      GLN   6  -1.371  -7.011   0.461
   43   HE22  GLN   6          HE21      GLN   6  -0.346  -8.266  -0.219
   44    H    GLU   7           H        GLU   7   2.038  -1.578   1.353
   45    HA   GLU   7           HA       GLU   7   4.396  -2.567   2.923
   46    HB2  GLU   7           HB2      GLU   7   4.026   0.147   1.608
   47    HB3  GLU   7           HB3      GLU   7   5.261  -0.239   2.815
   48    HG2  GLU   7           HG2      GLU   7   6.157  -2.020   1.309
   49    HG3  GLU   7           HG3      GLU   7   4.979  -1.552   0.079
   50    HA   PRO   8           HA       PRO   8   1.363  -0.967   5.992
   51    HB2  PRO   8           HB2      PRO   8   1.498  -2.950   7.818
   52    HB3  PRO   8           HB3      PRO   8   0.588  -3.146   6.288
   53    HG2  PRO   8           HG2      PRO   8   3.411  -4.084   6.906
   54    HG3  PRO   8           HG3      PRO   8   2.072  -5.026   6.181
   55    HD2  PRO   8           HD2      PRO   8   4.009  -3.790   4.680
   56    HD3  PRO   8           HD3      PRO   8   2.324  -3.973   4.101
   57    H    LYS   9           H        LYS   9   1.764   0.078   7.924
   58    HA   LYS   9           HA       LYS   9   4.175  -0.064   9.450
   59    HB2  LYS   9           HB2      LYS   9   5.300   1.933   8.846
   60    HB3  LYS   9           HB3      LYS   9   5.081   1.018   7.406
   61    HG2  LYS   9           HG2      LYS   9   3.353   3.405   8.198
   62    HG3  LYS   9           HG3      LYS   9   4.788   3.467   7.170
   63    HD2  LYS   9           HD2      LYS   9   3.604   1.739   5.663
   64    HD3  LYS   9           HD3      LYS   9   2.121   2.159   6.538
   65    HE2  LYS   9           HE2      LYS   9   3.930   4.031   4.925
   66    HE3  LYS   9           HE3      LYS   9   2.350   3.420   4.434
   67    HZ1  LYS   9           HZ1      LYS   9   2.861   5.281   6.693
   68    HZ2  LYS   9           HZ2      LYS   9   2.119   5.639   5.284
   69    HZ3  LYS   9           HZ3      LYS   9   1.390   4.630   6.359
   70    HA   PRO  10           HA       PRO  10   1.567   1.427  12.484
   71    HB2  PRO  10           HB2      PRO  10   2.907   3.108  14.161
   72    HB3  PRO  10           HB3      PRO  10   3.253   1.344  14.014
   73    HG2  PRO  10           HG2      PRO  10   4.690   3.635  12.659
   74    HG3  PRO  10           HG3      PRO  10   5.401   2.237  13.528
   75    HD2  PRO  10           HD2      PRO  10   5.187   2.288  10.846
   76    HD3  PRO  10           HD3      PRO  10   4.913   0.763  11.738
   77    H    GLY  11           H        GLY  11   0.002   2.729  13.022
   78    HA2  GLY  11           HA2      GLY  11  -1.171   4.756  13.239
   79    HA3  GLY  11           HA3      GLY  11  -0.051   5.562  12.106
   80    H    ASP  12           H        ASP  12  -0.801   2.732  10.594
   81    HA   ASP  12           HA       ASP  12  -3.320   3.795   9.360
   82    HB2  ASP  12           HB2      ASP  12  -1.123   2.124   8.093
   83    HB3  ASP  12           HB3      ASP  12  -2.652   2.556   7.338
   84    H    LEU  13           H        LEU  13  -4.797   2.261   8.568
   85    HA   LEU  13           HA       LEU  13  -4.728  -0.397   9.899
   86    HB2  LEU  13           HB2      LEU  13  -7.177  -0.462   9.807
   87    HB3  LEU  13           HB3      LEU  13  -6.575   0.730  10.921
   88    HG   LEU  13           HG       LEU  13  -7.111   1.717   8.159
   89   HD11  LEU  13          HD11      LEU  13  -9.386   0.985  10.037
   90   HD12  LEU  13          HD12      LEU  13  -9.553   1.853   8.498
   91   HD13  LEU  13          HD13      LEU  13  -9.004   0.170   8.504
   92   HD21  LEU  13          HD21      LEU  13  -7.830   2.785  10.936
   93   HD22  LEU  13          HD22      LEU  13  -6.434   3.284   9.961
   94   HD23  LEU  13          HD23      LEU  13  -8.078   3.654   9.411
   95    H    ILE  14           H        ILE  14  -5.836  -2.028   8.802
   96    HA   ILE  14           HA       ILE  14  -5.108  -2.068   5.898
   97    HB   ILE  14           HB       ILE  14  -4.363  -4.133   8.012
   98   HG12  ILE  14          HG12      ILE  14  -2.502  -1.941   6.987
   99   HG13  ILE  14          HG13      ILE  14  -3.219  -1.962   8.593
  100   HG21  ILE  14          HG21      ILE  14  -4.434  -4.744   5.513
  101   HG22  ILE  14          HG22      ILE  14  -3.097  -3.604   5.283
  102   HG23  ILE  14          HG23      ILE  14  -2.897  -5.031   6.323
  103   HD11  ILE  14          HD11      ILE  14  -0.969  -2.737   8.717
  104   HD12  ILE  14          HD12      ILE  14  -2.098  -4.021   9.179
  105   HD13  ILE  14          HD13      ILE  14  -1.302  -4.065   7.584
  106    H    GLU  15           H        GLU  15  -6.508  -3.205   4.665
  107    HA   GLU  15           HA       GLU  15  -8.799  -4.612   5.928
  108    HB2  GLU  15           HB2      GLU  15  -9.090  -2.926   4.041
  109    HB3  GLU  15           HB3      GLU  15  -8.242  -4.055   2.991
  110    HG2  GLU  15           HG2      GLU  15 -10.011  -5.787   3.571
  111    HG3  GLU  15           HG3      GLU  15 -10.859  -4.530   4.485
  112    H    ILE  16           H        ILE  16  -8.680  -6.757   6.188
  113    HA   ILE  16           HA       ILE  16  -6.682  -8.445   4.707
  114    HB   ILE  16           HB       ILE  16  -8.003  -9.077   7.376
  115   HG12  ILE  16          HG12      ILE  16  -6.976  -6.966   7.913
  116   HG13  ILE  16          HG13      ILE  16  -6.139  -8.292   8.674
  117   HG21  ILE  16          HG21      ILE  16  -5.942 -10.469   7.660
  118   HG22  ILE  16          HG22      ILE  16  -6.918 -10.935   6.263
  119   HG23  ILE  16          HG23      ILE  16  -5.439  -9.998   6.026
  120   HD11  ILE  16          HD11      ILE  16  -5.191  -6.786   6.222
  121   HD12  ILE  16          HD12      ILE  16  -4.571  -6.613   7.871
  122   HD13  ILE  16          HD13      ILE  16  -4.316  -8.131   6.991
  123    H    PHE  17           H        PHE  17  -7.524 -10.214   3.573
  124    HA   PHE  17           HA       PHE  17 -10.431 -10.714   3.674
  125    HB2  PHE  17           HB2      PHE  17  -9.071 -10.745   1.567
  126    HB3  PHE  17           HB3      PHE  17  -8.253 -12.186   2.145
  127    HD1  PHE  17           HD2      PHE  17 -11.666 -10.777   1.416
  128    HD2  PHE  17           HD1      PHE  17  -9.238 -14.331   1.694
  129    HE1  PHE  17           HE2      PHE  17 -13.517 -12.115   0.445
  130    HE2  PHE  17           HE1      PHE  17 -11.090 -15.667   0.721
  131    HZ   PHE  17           HZ       PHE  17 -13.230 -14.556   0.091
  132    H    ARG  18           H        ARG  18 -10.038 -10.968   6.076
  133    HA   ARG  18           HA       ARG  18  -8.551 -12.996   7.276
  134    HB2  ARG  18           HB2      ARG  18  -9.421 -11.012   8.395
  135    HB3  ARG  18           HB3      ARG  18 -11.074 -11.603   8.241
  136    HG2  ARG  18           HG2      ARG  18 -10.166 -11.849  10.521
  137    HG3  ARG  18           HG3      ARG  18 -10.664 -13.384   9.819
  138    HD2  ARG  18           HD2      ARG  18  -8.307 -13.931   9.303
  139    HD3  ARG  18           HD3      ARG  18  -7.806 -12.368   9.997
  140    HE   ARG  18           HE       ARG  18  -9.283 -13.642  11.992
  141   HH11  ARG  18          HH11      ARG  18  -6.285 -14.350  10.267
  142   HH12  ARG  18          HH12      ARG  18  -5.659 -15.348  11.546
  143   HH21  ARG  18          HH21      ARG  18  -8.425 -14.963  13.620
  144   HH22  ARG  18          HH22      ARG  18  -6.856 -15.678  13.420
  145    H    LEU  19           H        LEU  19 -11.963 -13.255   6.334
  146    HA   LEU  19           HA       LEU  19 -11.977 -16.110   7.214
  147    HB2  LEU  19           HB2      LEU  19 -13.031 -13.690   8.542
  148    HB3  LEU  19           HB3      LEU  19 -14.290 -14.895   8.357
  149    HG   LEU  19           HG       LEU  19 -11.577 -15.469   9.609
  150   HD11  LEU  19          HD11      LEU  19 -12.840 -13.813  10.936
  151   HD12  LEU  19          HD12      LEU  19 -14.260 -14.880  10.941
  152   HD13  LEU  19          HD13      LEU  19 -12.767 -15.369  11.776
  153   HD21  LEU  19          HD21      LEU  19 -12.690 -17.516   8.743
  154   HD22  LEU  19          HD22      LEU  19 -12.704 -17.489  10.512
  155   HD23  LEU  19          HD23      LEU  19 -14.179 -17.077   9.606
  156    H    GLY  20           H        GLY  20 -12.143 -15.114   4.520
  157    HA2  GLY  20           HA2      GLY  20 -13.373 -15.692   2.606
  158    HA3  GLY  20           HA3      GLY  20 -14.764 -16.159   3.618
  159    H    TYR  21           H        TYR  21 -13.807 -13.252   4.755
  160    HA   TYR  21           HA       TYR  21 -15.095 -11.460   2.796
  161    HB2  TYR  21           HB2      TYR  21 -15.902 -11.656   5.733
  162    HB3  TYR  21           HB3      TYR  21 -16.443 -10.425   4.605
  163    HD1  TYR  21           HD2      TYR  21 -17.957 -11.029   2.687
  164    HD2  TYR  21           HD1      TYR  21 -16.939 -13.845   5.793
  165    HE1  TYR  21           HE2      TYR  21 -19.886 -12.450   2.025
  166    HE2  TYR  21           HE1      TYR  21 -18.872 -15.268   5.137
  167    HH   TYR  21           HH       TYR  21 -21.062 -14.381   2.440
  168    H    GLU  22           H        GLU  22 -14.517  -9.279   3.096
  169    HA   GLU  22           HA       GLU  22 -11.911  -8.694   4.069
  170    HB2  GLU  22           HB2      GLU  22 -14.154  -6.734   3.432
  171    HB3  GLU  22           HB3      GLU  22 -12.428  -6.410   3.501
  172    HG2  GLU  22           HG2      GLU  22 -12.583  -6.619   1.257
  173    HG3  GLU  22           HG3      GLU  22 -12.357  -8.327   1.602
  174    H    HIS  23           H        HIS  23 -11.160  -7.984   5.998
  175    HA   HIS  23           HA       HIS  23 -12.940  -6.743   8.031
  176    HB2  HIS  23           HB2      HIS  23 -12.956  -9.273   8.259
  177    HB3  HIS  23           HB3      HIS  23 -11.212  -9.211   8.508
  178    HD1  HIS  23           HD1      HIS  23 -10.515  -7.627  10.827
  179    HD2  HIS  23           HD2      HIS  23 -14.436  -9.092  10.366
  180    HE1  HIS  23           HE1      HIS  23 -11.599  -7.489  13.099
  181    H    TRP  24           H        TRP  24 -11.769  -5.371   9.506
  182    HA   TRP  24           HA       TRP  24  -9.205  -4.526   8.436
  183    HB2  TRP  24           HB2      TRP  24 -10.681  -3.374  10.794
  184    HB3  TRP  24           HB3      TRP  24  -9.480  -2.574   9.778
  185    HD1  TRP  24           HD1      TRP  24 -13.097  -3.178  10.153
  186    HE1  TRP  24           HE1      TRP  24 -14.448  -2.140   8.252
  187    HE3  TRP  24           HE3      TRP  24  -9.239  -1.935   7.033
  188    HZ2  TRP  24           HZ2      TRP  24 -13.912  -0.767   5.748
  189    HZ3  TRP  24           HZ3      TRP  24  -9.685  -0.722   4.919
  190    HH2  TRP  24           HH2      TRP  24 -12.003  -0.138   4.263
  191    H    ALA  25           H        ALA  25  -7.363  -3.965   9.619
  192    HA   ALA  25           HA       ALA  25  -7.013  -4.738  12.458
  193    HB1  ALA  25           HB1      ALA  25  -5.125  -5.604  10.206
  194    HB2  ALA  25           HB2      ALA  25  -4.869  -5.863  11.946
  195    HB3  ALA  25           HB3      ALA  25  -6.211  -6.677  11.121
  196    H    LEU  26           H        LEU  26  -5.768  -3.235  13.557
  197    HA   LEU  26           HA       LEU  26  -4.765  -0.828  12.078
  198    HB2  LEU  26           HB2      LEU  26  -6.620  -0.720  13.820
  199    HB3  LEU  26           HB3      LEU  26  -5.469  -1.261  15.011
  200    HG   LEU  26           HG       LEU  26  -5.790   1.038  15.314
  201   HD11  LEU  26          HD11      LEU  26  -3.655   2.052  15.190
  202   HD12  LEU  26          HD12      LEU  26  -3.399   0.327  15.492
  203   HD13  LEU  26          HD13      LEU  26  -3.132   1.005  13.866
  204   HD21  LEU  26          HD21      LEU  26  -5.526   2.777  13.634
  205   HD22  LEU  26          HD22      LEU  26  -5.070   1.575  12.413
  206   HD23  LEU  26          HD23      LEU  26  -6.722   1.587  13.098
  207    H    TYR  27           H        TYR  27  -2.557  -0.804  11.771
  208    HA   TYR  27           HA       TYR  27  -0.748  -2.550  13.211
  209    HB2  TYR  27           HB2      TYR  27  -0.791  -1.605  10.762
  210    HB3  TYR  27           HB3      TYR  27   0.036  -0.234  11.441
  211    HD1  TYR  27           HD2      TYR  27   2.391  -0.571  12.372
  212    HD2  TYR  27           HD1      TYR  27   0.249  -3.746  10.420
  213    HE1  TYR  27           HE2      TYR  27   4.543  -1.545  11.613
  214    HE2  TYR  27           HE1      TYR  27   2.404  -4.771   9.715
  215    HH   TYR  27           HH       TYR  27   5.550  -3.159  10.275
  216    H    ILE  28           H        ILE  28  -0.145  -2.208  15.240
  217    HA   ILE  28           HA       ILE  28   0.060   0.581  16.339
  218    HB   ILE  28           HB       ILE  28   0.119  -0.534  18.550
  219   HG12  ILE  28          HG12      ILE  28  -0.711  -3.126  17.196
  220   HG13  ILE  28          HG13      ILE  28   0.967  -2.796  17.640
  221   HG21  ILE  28          HG21      ILE  28  -2.245  -0.927  18.657
  222   HG22  ILE  28          HG22      ILE  28  -1.979   0.330  17.456
  223   HG23  ILE  28          HG23      ILE  28  -2.326  -1.320  16.918
  224   HD11  ILE  28          HD11      ILE  28   0.336  -2.515  19.998
  225   HD12  ILE  28          HD12      ILE  28  -1.358  -2.875  19.602
  226   HD13  ILE  28          HD13      ILE  28  -0.109  -4.116  19.375
  227    H    GLY  29           H        GLY  29   2.141  -1.998  15.382
  228    HA2  GLY  29           HA2      GLY  29   4.553  -0.518  15.989
  229    HA3  GLY  29           HA3      GLY  29   4.331  -1.898  17.067
  230    H    ASP  30           H        ASP  30   6.491  -2.264  15.650
  231    HA   ASP  30           HA       ASP  30   6.255  -2.871  12.926
  232    HB2  ASP  30           HB2      ASP  30   8.351  -2.265  14.019
  233    HB3  ASP  30           HB3      ASP  30   8.357  -3.784  14.922
  234    H    GLY  31           H        GLY  31   4.679  -4.233  12.364
  235    HA2  GLY  31           HA2      GLY  31   3.868  -6.249  11.587
  236    HA3  GLY  31           HA3      GLY  31   5.027  -7.143  12.598
  237    H    TYR  32           H        TYR  32   3.530  -4.908  14.586
  238    HA   TYR  32           HA       TYR  32   1.680  -6.973  15.685
  239    HB2  TYR  32           HB2      TYR  32   2.920  -4.482  16.892
  240    HB3  TYR  32           HB3      TYR  32   1.673  -5.437  17.685
  241    HD1  TYR  32           HD2      TYR  32   2.080  -7.863  18.253
  242    HD2  TYR  32           HD1      TYR  32   5.233  -5.221  16.942
  243    HE1  TYR  32           HE2      TYR  32   3.769  -9.424  19.190
  244    HE2  TYR  32           HE1      TYR  32   6.930  -6.783  17.883
  245    HH   TYR  32           HH       TYR  32   6.006  -9.826  19.541
  246    H    VAL  33           H        VAL  33  -0.489  -6.667  15.882
  247    HA   VAL  33           HA       VAL  33  -1.670  -4.106  14.964
  248    HB   VAL  33           HB       VAL  33  -3.352  -5.380  13.624
  249   HG11  VAL  33          HG11      VAL  33  -0.480  -5.641  12.678
  250   HG12  VAL  33          HG12      VAL  33  -1.922  -5.843  11.665
  251   HG13  VAL  33          HG13      VAL  33  -1.606  -4.286  12.409
  252   HG21  VAL  33          HG21      VAL  33  -3.083  -7.649  14.616
  253   HG22  VAL  33          HG22      VAL  33  -2.895  -7.651  12.859
  254   HG23  VAL  33          HG23      VAL  33  -1.467  -7.754  13.883
  255    H    ILE  34           H        ILE  34  -3.769  -3.691  15.545
  256    HA   ILE  34           HA       ILE  34  -5.016  -5.399  17.696
  257    HB   ILE  34           HB       ILE  34  -5.390  -2.453  17.004
  258   HG12  ILE  34          HG12      ILE  34  -3.341  -2.986  18.304
  259   HG13  ILE  34          HG13      ILE  34  -4.465  -1.915  19.131
  260   HG21  ILE  34          HG21      ILE  34  -6.932  -4.195  18.972
  261   HG22  ILE  34          HG22      ILE  34  -6.943  -2.417  19.006
  262   HG23  ILE  34          HG23      ILE  34  -7.569  -3.272  17.598
  263   HD11  ILE  34          HD11      ILE  34  -4.093  -4.885  19.703
  264   HD12  ILE  34          HD12      ILE  34  -3.481  -3.532  20.674
  265   HD13  ILE  34          HD13      ILE  34  -5.226  -3.801  20.535
  266    H    HIS  35           H        HIS  35  -6.913  -6.425  17.151
  267    HA   HIS  35           HA       HIS  35  -8.494  -5.421  14.861
  268    HB2  HIS  35           HB2      HIS  35  -8.421  -7.454  13.619
  269    HB3  HIS  35           HB3      HIS  35  -6.747  -6.979  13.902
  270    HD1  HIS  35           HD1      HIS  35  -9.203  -9.773  14.652
  271    HD2  HIS  35           HD2      HIS  35  -5.408  -8.440  15.887
  272    HE1  HIS  35           HE1      HIS  35  -8.129 -11.719  15.909
  273    H    LEU  36           H        LEU  36 -10.628  -6.328  14.778
  274    HA   LEU  36           HA       LEU  36 -11.651  -7.407  17.319
  275    HB2  LEU  36           HB2      LEU  36 -12.861  -5.693  15.902
  276    HB3  LEU  36           HB3      LEU  36 -13.020  -6.897  14.637
  277    HG   LEU  36           HG       LEU  36 -14.317  -8.320  16.360
  278   HD11  LEU  36          HD11      LEU  36 -15.377  -7.074  18.195
  279   HD12  LEU  36          HD12      LEU  36 -13.619  -6.995  18.376
  280   HD13  LEU  36          HD13      LEU  36 -14.498  -5.600  17.742
  281   HD21  LEU  36          HD21      LEU  36 -16.406  -7.101  15.914
  282   HD22  LEU  36          HD22      LEU  36 -15.485  -5.668  15.414
  283   HD23  LEU  36          HD23      LEU  36 -15.384  -7.170  14.467
  284    H    ALA  37           H        ALA  37 -12.277  -9.508  17.645
  285    HA   ALA  37           HA       ALA  37 -11.772 -11.581  15.559
  286    HB1  ALA  37           HB1      ALA  37 -12.385 -11.748  18.549
  287    HB2  ALA  37           HB2      ALA  37 -12.083 -13.130  17.474
  288    HB3  ALA  37           HB3      ALA  37 -10.795 -11.942  17.783
  289    HA   PRO  38           HA       PRO  38 -16.115 -10.404  15.053
  290    HB2  PRO  38           HB2      PRO  38 -16.626 -11.378  12.544
  291    HB3  PRO  38           HB3      PRO  38 -15.562  -9.967  12.847
  292    HG2  PRO  38           HG2      PRO  38 -14.755 -12.871  12.475
  293    HG3  PRO  38           HG3      PRO  38 -14.114 -11.435  11.609
  294    HD2  PRO  38           HD2      PRO  38 -12.845 -12.478  13.775
  295    HD3  PRO  38           HD3      PRO  38 -12.922 -10.709  13.509
  296    HA   PRO  39           HA       PRO  39 -18.696 -13.914  16.060
  297    HB2  PRO  39           HB2      PRO  39 -20.626 -13.034  13.929
  298    HB3  PRO  39           HB3      PRO  39 -20.926 -13.398  15.657
  299    HG2  PRO  39           HG2      PRO  39 -20.816 -10.824  14.782
  300    HG3  PRO  39           HG3      PRO  39 -20.054 -11.291  16.340
  301    HD2  PRO  39           HD2      PRO  39 -18.743 -10.940  13.634
  302    HD3  PRO  39           HD3      PRO  39 -18.221 -10.311  15.222
  303    H    SER  40           H        SER  40 -18.775 -16.017  15.439
  304    HA   SER  40           HA       SER  40 -19.111 -17.055  12.768
  305    HB2  SER  40           HB2      SER  40 -16.338 -17.157  14.053
  306    HB3  SER  40           HB3      SER  40 -16.852 -18.235  12.750
  307    HG   SER  40           HG       SER  40 -17.170 -15.468  12.458
  308    H    GLU  41           H        GLU  41 -18.819 -19.586  12.908
  309    HA   GLU  41           HA       GLU  41 -19.751 -20.547  15.568
  310    HB2  GLU  41           HB2      GLU  41 -20.946 -21.242  13.513
  311    HB3  GLU  41           HB3      GLU  41 -19.472 -22.020  12.918
  312    HG2  GLU  41           HG2      GLU  41 -19.491 -23.545  14.883
  313    HG3  GLU  41           HG3      GLU  41 -20.920 -22.711  15.512
  314    H    TYR  42           H        TYR  42 -18.099 -20.809  16.974
  315    HA   TYR  42           HA       TYR  42 -15.421 -21.122  15.991
  316    HB2  TYR  42           HB2      TYR  42 -16.339 -21.056  18.868
  317    HB3  TYR  42           HB3      TYR  42 -14.701 -20.832  18.273
  318    HD1  TYR  42           HD2      TYR  42 -14.551 -18.939  16.292
  319    HD2  TYR  42           HD1      TYR  42 -17.501 -19.114  19.435
  320    HE1  TYR  42           HE2      TYR  42 -14.994 -16.509  16.007
  321    HE2  TYR  42           HE1      TYR  42 -17.935 -16.676  19.164
  322    HH   TYR  42           HH       TYR  42 -16.270 -14.715  16.672
  323    HA   PRO  43           HA       PRO  43 -15.150 -25.457  17.815
  324    HB2  PRO  43           HB2      PRO  43 -17.219 -26.780  18.931
  325    HB3  PRO  43           HB3      PRO  43 -16.369 -25.463  19.805
  326    HG2  PRO  43           HG2      PRO  43 -18.964 -25.300  18.242
  327    HG3  PRO  43           HG3      PRO  43 -18.605 -24.674  19.891
  328    HD2  PRO  43           HD2      PRO  43 -18.477 -23.135  17.578
  329    HD3  PRO  43           HD3      PRO  43 -17.479 -22.819  19.029
  330    H    GLY  44           H        GLY  44 -15.669 -27.717  17.110
  331    HA2  GLY  44           HA2      GLY  44 -16.606 -27.821  14.345
  332    HA3  GLY  44           HA3      GLY  44 -15.924 -29.154  15.306
  333    H    ALA  45           H        ALA  45 -18.779 -27.079  15.816
  334    HA   ALA  45           HA       ALA  45 -20.422 -29.145  16.883
  335    HB1  ALA  45           HB1      ALA  45 -22.204 -27.434  16.764
  336    HB2  ALA  45           HB2      ALA  45 -20.695 -26.770  17.413
  337    HB3  ALA  45           HB3      ALA  45 -21.170 -26.425  15.732
  338    H    GLY  46           H        GLY  46 -22.397 -30.013  16.129
  339    HA2  GLY  46           HA2      GLY  46 -23.957 -30.774  14.561
  340    HA3  GLY  46           HA3      GLY  46 -22.957 -30.153  13.228
  341    H    SER  47           H        SER  47 -20.572 -31.661  14.578
  342    HA   SER  47           HA       SER  47 -20.882 -34.230  13.241
  343    HB2  SER  47           HB2      SER  47 -18.767 -33.219  15.189
  344    HB3  SER  47           HB3      SER  47 -18.682 -34.736  14.275
  345    HG   SER  47           HG       SER  47 -17.563 -32.968  13.264
  346    H    SER  48           H        SER  48 -21.244 -36.289  14.150
  347    HA   SER  48           HA       SER  48 -23.075 -36.387  16.301
  348    HB2  SER  48           HB2      SER  48 -22.858 -38.859  16.031
  349    HB3  SER  48           HB3      SER  48 -23.129 -37.989  14.512
  350    HG   SER  48           HG       SER  48 -21.467 -39.592  14.356
  351    H    SER  49           H        SER  49 -19.638 -36.369  16.554
  352    HA   SER  49           HA       SER  49 -19.390 -37.629  19.163
  353    HB2  SER  49           HB2      SER  49 -17.130 -36.536  19.065
  354    HB3  SER  49           HB3      SER  49 -17.504 -37.571  17.678
  355    HG   SER  49           HG       SER  49 -16.579 -35.527  17.077
  356    H    VAL  50           H        VAL  50 -20.683 -34.569  18.197
  357    HA   VAL  50           HA       VAL  50 -20.477 -33.487  20.971
  358    HB   VAL  50           HB       VAL  50 -19.856 -31.270  20.153
  359   HG11  VAL  50          HG11      VAL  50 -18.083 -32.782  20.966
  360   HG12  VAL  50          HG12      VAL  50 -17.764 -33.291  19.291
  361   HG13  VAL  50          HG13      VAL  50 -17.506 -31.606  19.774
  362   HG21  VAL  50          HG21      VAL  50 -19.005 -30.856  17.927
  363   HG22  VAL  50          HG22      VAL  50 -19.334 -32.527  17.432
  364   HG23  VAL  50          HG23      VAL  50 -20.679 -31.426  17.813
  365    H    PHE  51           H        PHE  51 -21.707 -31.355  21.104
  366    HA   PHE  51           HA       PHE  51 -24.006 -31.068  19.366
  367    HB2  PHE  51           HB2      PHE  51 -25.724 -31.443  21.090
  368    HB3  PHE  51           HB3      PHE  51 -24.832 -32.905  20.748
  369    HD1  PHE  51           HD1      PHE  51 -23.271 -33.887  22.418
  370    HD2  PHE  51           HD2      PHE  51 -25.561 -30.330  23.291
  371    HE1  PHE  51           HE1      PHE  51 -22.759 -34.147  24.831
  372    HE2  PHE  51           HE2      PHE  51 -25.045 -30.603  25.706
  373    HZ   PHE  51           HZ       PHE  51 -23.642 -32.508  26.479
  374    H    SER  52           H        SER  52 -22.281 -30.001  22.276
  375    HA   SER  52           HA       SER  52 -23.508 -27.466  22.608
  376    HB2  SER  52           HB2      SER  52 -20.606 -28.237  23.112
  377    HB3  SER  52           HB3      SER  52 -21.473 -26.864  23.824
  378    HG   SER  52           HG       SER  52 -21.404 -28.676  25.240
  379    H    VAL  53           H        VAL  53 -22.743 -25.311  22.033
  380    HA   VAL  53           HA       VAL  53 -20.833 -24.999  19.842
  381    HB   VAL  53           HB       VAL  53 -22.894 -25.697  18.660
  382   HG11  VAL  53          HG11      VAL  53 -24.613 -24.743  20.170
  383   HG12  VAL  53          HG12      VAL  53 -24.154 -23.105  19.647
  384   HG13  VAL  53          HG13      VAL  53 -24.836 -24.254  18.482
  385   HG21  VAL  53          HG21      VAL  53 -22.203 -22.797  18.062
  386   HG22  VAL  53          HG22      VAL  53 -21.203 -24.193  17.598
  387   HG23  VAL  53          HG23      VAL  53 -22.841 -24.015  16.948
  388    H    LEU  54           H        LEU  54 -20.112 -22.899  19.534
  389    HA   LEU  54           HA       LEU  54 -21.099 -20.757  21.367
  390    HB2  LEU  54           HB2      LEU  54 -18.199 -21.488  20.751
  391    HB3  LEU  54           HB3      LEU  54 -18.714 -20.066  21.650
  392    HG   LEU  54           HG       LEU  54 -19.180 -22.946  22.555
  393   HD11  LEU  54          HD11      LEU  54 -16.785 -22.359  22.507
  394   HD12  LEU  54          HD12      LEU  54 -17.115 -20.896  23.458
  395   HD13  LEU  54          HD13      LEU  54 -17.371 -22.504  24.173
  396   HD21  LEU  54          HD21      LEU  54 -20.853 -21.397  23.519
  397   HD22  LEU  54          HD22      LEU  54 -19.692 -21.896  24.755
  398   HD23  LEU  54          HD23      LEU  54 -19.553 -20.290  24.017
  399    H    SER  55           H        SER  55 -21.220 -18.752  20.453
  400    HA   SER  55           HA       SER  55 -20.010 -17.916  18.006
  401    HB2  SER  55           HB2      SER  55 -21.711 -19.731  17.225
  402    HB3  SER  55           HB3      SER  55 -22.964 -18.580  17.695
  403    HG   SER  55           HG       SER  55 -20.813 -18.150  15.861
  404    H    ASN  56           H        ASN  56 -21.787 -16.121  17.046
  405    HA   ASN  56           HA       ASN  56 -22.819 -14.162  17.177
  406    HB2  ASN  56           HB2      ASN  56 -23.727 -15.046  19.946
  407    HB3  ASN  56           HB3      ASN  56 -24.436 -13.762  18.976
  408   HD21  ASN  56          HD22      ASN  56 -25.329 -14.424  16.744
  409   HD22  ASN  56          HD21      ASN  56 -26.049 -16.017  16.657
  410    H    SER  57           H        SER  57 -20.927 -14.656  20.170
  411    HA   SER  57           HA       SER  57 -20.609 -11.841  20.760
  412    HB2  SER  57           HB2      SER  57 -18.872 -14.190  21.565
  413    HB3  SER  57           HB3      SER  57 -18.879 -12.573  22.304
  414    HG   SER  57           HG       SER  57 -20.174 -14.186  23.423
  415    H    ALA  58           H        ALA  58 -18.472 -10.687  20.809
  416    HA   ALA  58           HA       ALA  58 -16.379 -11.534  18.925
  417    HB1  ALA  58           HB1      ALA  58 -17.932 -10.306  17.476
  418    HB2  ALA  58           HB2      ALA  58 -17.969  -8.942  18.602
  419    HB3  ALA  58           HB3      ALA  58 -16.475  -9.332  17.724
  420    H    GLU  59           H        GLU  59 -14.413 -10.119  19.173
  421    HA   GLU  59           HA       GLU  59 -14.256  -8.580  21.708
  422    HB2  GLU  59           HB2      GLU  59 -14.093 -11.026  22.265
  423    HB3  GLU  59           HB3      GLU  59 -12.640 -11.124  21.265
  424    HG2  GLU  59           HG2      GLU  59 -11.480  -9.543  22.748
  425    HG3  GLU  59           HG3      GLU  59 -12.964  -9.293  23.681
  426    H    VAL  60           H        VAL  60 -12.663  -7.036  21.684
  427    HA   VAL  60           HA       VAL  60 -10.904  -6.786  19.327
  428    HB   VAL  60           HB       VAL  60 -11.187  -5.077  21.816
  429   HG11  VAL  60          HG11      VAL  60  -9.886  -3.354  20.503
  430   HG12  VAL  60          HG12      VAL  60  -8.909  -4.752  20.944
  431   HG13  VAL  60          HG13      VAL  60  -9.534  -4.605  19.289
  432   HG21  VAL  60          HG21      VAL  60 -12.131  -4.692  18.945
  433   HG22  VAL  60          HG22      VAL  60 -13.153  -5.014  20.356
  434   HG23  VAL  60          HG23      VAL  60 -12.283  -3.481  20.241
  435    H    LYS  61           H        LYS  61  -8.873  -7.491  19.185
  436    HA   LYS  61           HA       LYS  61  -7.373  -8.363  21.627
  437    HB2  LYS  61           HB2      LYS  61  -7.786 -10.013  19.082
  438    HB3  LYS  61           HB3      LYS  61  -6.883 -10.493  20.527
  439    HG2  LYS  61           HG2      LYS  61  -9.084 -10.245  21.837
  440    HG3  LYS  61           HG3      LYS  61  -9.881 -10.017  20.284
  441    HD2  LYS  61           HD2      LYS  61 -10.227 -12.270  20.823
  442    HD3  LYS  61           HD3      LYS  61  -9.022 -12.249  19.538
  443    HE2  LYS  61           HE2      LYS  61  -8.491 -13.921  21.229
  444    HE3  LYS  61           HE3      LYS  61  -7.222 -12.694  21.168
  445    HZ1  LYS  61           HZ1      LYS  61  -8.006 -11.779  23.212
  446    HZ2  LYS  61           HZ2      LYS  61  -9.432 -12.572  23.164
  447    HZ3  LYS  61           HZ3      LYS  61  -8.035 -13.392  23.461
  448    H    ARG  62           H        ARG  62  -5.132  -8.690  21.387
  449    HA   ARG  62           HA       ARG  62  -3.786  -7.088  19.256
  450    HB2  ARG  62           HB2      ARG  62  -3.388  -6.602  21.732
  451    HB3  ARG  62           HB3      ARG  62  -2.585  -8.167  21.842
  452    HG2  ARG  62           HG2      ARG  62  -1.016  -7.380  19.981
  453    HG3  ARG  62           HG3      ARG  62  -1.774  -5.791  20.089
  454    HD2  ARG  62           HD2      ARG  62  -0.288  -7.259  22.312
  455    HD3  ARG  62           HD3      ARG  62   0.360  -5.930  21.341
  456    HE   ARG  62           HE       ARG  62  -1.940  -4.869  22.462
  457   HH11  ARG  62          HH11      ARG  62   1.056  -6.215  23.765
  458   HH12  ARG  62          HH12      ARG  62   0.921  -5.341  25.260
  459   HH21  ARG  62          HH21      ARG  62  -2.100  -3.809  24.471
  460   HH22  ARG  62          HH22      ARG  62  -0.825  -3.982  25.632
  461    H    GLU  63           H        GLU  63  -2.360  -8.050  17.859
  462    HA   GLU  63           HA       GLU  63  -1.380 -10.776  18.118
  463    HB2  GLU  63           HB2      GLU  63  -3.824 -11.029  17.482
  464    HB3  GLU  63           HB3      GLU  63  -3.499 -10.111  16.022
  465    HG2  GLU  63           HG2      GLU  63  -3.673 -12.581  15.741
  466    HG3  GLU  63           HG3      GLU  63  -2.184 -11.886  15.110
  467    H    ARG  64           H        ARG  64  -0.212 -11.385  15.937
  468    HA   ARG  64           HA       ARG  64   1.024  -8.939  14.778
  469    HB2  ARG  64           HB2      ARG  64   1.858 -11.857  14.696
  470    HB3  ARG  64           HB3      ARG  64   2.609 -10.582  13.716
  471    HG2  ARG  64           HG2      ARG  64   3.083  -9.286  15.810
  472    HG3  ARG  64           HG3      ARG  64   2.457 -10.638  16.763
  473    HD2  ARG  64           HD2      ARG  64   4.915 -10.691  16.679
  474    HD3  ARG  64           HD3      ARG  64   4.228 -12.101  15.877
  475    HE   ARG  64           HE       ARG  64   5.102 -11.417  13.847
  476   HH11  ARG  64          HH11      ARG  64   5.375  -8.578  15.969
  477   HH12  ARG  64          HH12      ARG  64   6.266  -7.688  14.769
  478   HH21  ARG  64          HH21      ARG  64   6.191 -10.351  12.467
  479   HH22  ARG  64          HH22      ARG  64   6.852  -8.747  12.781
  480    H    LEU  65           H        LEU  65   1.044  -8.453  12.627
  481    HA   LEU  65           HA       LEU  65  -1.320  -8.893  11.160
  482    HB2  LEU  65           HB2      LEU  65   0.234  -6.977  10.845
  483    HB3  LEU  65           HB3      LEU  65   1.450  -8.053  10.172
  484    HG   LEU  65           HG       LEU  65  -0.035  -8.557   8.243
  485   HD11  LEU  65          HD11      LEU  65  -1.900  -6.448   9.438
  486   HD12  LEU  65          HD12      LEU  65  -2.040  -7.179   7.827
  487   HD13  LEU  65          HD13      LEU  65  -2.268  -8.177   9.268
  488   HD21  LEU  65          HD21      LEU  65   0.387  -5.585   8.728
  489   HD22  LEU  65          HD22      LEU  65   1.602  -6.727   8.113
  490   HD23  LEU  65          HD23      LEU  65   0.159  -6.369   7.151
  491    H    GLU  66           H        GLU  66   1.863 -10.494  10.668
  492    HA   GLU  66           HA       GLU  66   1.197 -12.172   8.560
  493    HB2  GLU  66           HB2      GLU  66   3.059 -13.555   9.246
  494    HB3  GLU  66           HB3      GLU  66   3.444 -11.854   9.461
  495    HG2  GLU  66           HG2      GLU  66   2.821 -12.171  11.950
  496    HG3  GLU  66           HG3      GLU  66   2.809 -13.898  11.623
  497    H    ASP  67           H        ASP  67   0.269 -12.678  11.983
  498    HA   ASP  67           HA       ASP  67  -0.799 -15.372  11.464
  499    HB2  ASP  67           HB2      ASP  67   0.243 -14.758  13.627
  500    HB3  ASP  67           HB3      ASP  67  -1.027 -13.561  13.894
  501    H    VAL  68           H        VAL  68  -2.067 -12.067  12.011
  502    HA   VAL  68           HA       VAL  68  -4.830 -12.694  11.716
  503    HB   VAL  68           HB       VAL  68  -3.459 -10.086  11.036
  504   HG11  VAL  68          HG11      VAL  68  -6.415 -10.698  11.520
  505   HG12  VAL  68          HG12      VAL  68  -5.711  -9.074  11.369
  506   HG13  VAL  68          HG13      VAL  68  -5.692 -10.167   9.987
  507   HG21  VAL  68          HG21      VAL  68  -3.127 -10.655  13.377
  508   HG22  VAL  68          HG22      VAL  68  -4.372  -9.407  13.289
  509   HG23  VAL  68          HG23      VAL  68  -4.830 -11.101  13.565
  510    H    VAL  69           H        VAL  69  -2.381 -12.061   9.283
  511    HA   VAL  69           HA       VAL  69  -4.235 -12.143   7.050
  512    HB   VAL  69           HB       VAL  69  -1.209 -12.143   7.272
  513   HG11  VAL  69          HG11      VAL  69  -1.751 -13.262   5.152
  514   HG12  VAL  69          HG12      VAL  69  -2.910 -11.973   4.757
  515   HG13  VAL  69          HG13      VAL  69  -1.165 -11.627   4.849
  516   HG21  VAL  69          HG21      VAL  69  -1.417  -9.818   6.652
  517   HG22  VAL  69          HG22      VAL  69  -3.130 -10.015   6.236
  518   HG23  VAL  69          HG23      VAL  69  -2.630 -10.089   7.923
  519    H    GLY  70           H        GLY  70  -1.740 -14.509   8.276
  520    HA2  GLY  70           HA2      GLY  70  -1.675 -16.792   8.115
  521    HA3  GLY  70           HA3      GLY  70  -3.433 -16.727   7.869
  522    H    GLY  71           H        GLY  71  -1.367 -15.189   5.518
  523    HA2  GLY  71           HA2      GLY  71  -0.607 -15.938   3.412
  524    HA3  GLY  71           HA3      GLY  71  -1.578 -17.421   3.557
  525    H    CYS  72           H        CYS  72  -3.718 -15.025   4.384
  526    HA   CYS  72           HA       CYS  72  -5.063 -14.975   1.829
  527    HB2  CYS  72           HB2      CYS  72  -5.488 -13.380   4.409
  528    HB3  CYS  72           HB3      CYS  72  -6.591 -13.364   3.040
  529    HG   CYS  72           HG       CYS  72  -7.747 -14.894   4.639
  530    H    CYS  73           H        CYS  73  -5.876 -12.903   0.863
  531    HA   CYS  73           HA       CYS  73  -3.725 -11.035   0.179
  532    HB2  CYS  73           HB2      CYS  73  -6.713 -11.072  -0.482
  533    HB3  CYS  73           HB3      CYS  73  -5.530  -9.945  -1.166
  534    HG   CYS  73           HG       CYS  73  -6.087 -11.817  -2.953
  535    H    TYR  74           H        TYR  74  -3.627  -8.831   0.665
  536    HA   TYR  74           HA       TYR  74  -5.547  -7.572   2.428
  537    HB2  TYR  74           HB2      TYR  74  -4.118  -7.137   4.304
  538    HB3  TYR  74           HB3      TYR  74  -4.265  -8.862   4.084
  539    HD1  TYR  74           HD2      TYR  74  -2.290 -10.087   2.896
  540    HD2  TYR  74           HD1      TYR  74  -2.019  -6.098   4.492
  541    HE1  TYR  74           HE2      TYR  74   0.180 -10.312   3.019
  542    HE2  TYR  74           HE1      TYR  74   0.451  -6.331   4.670
  543    HH   TYR  74           HH       TYR  74   2.262  -7.693   4.305
  544    H    ARG  75           H        ARG  75  -5.091  -5.296   2.897
  545    HA   ARG  75           HA       ARG  75  -3.054  -3.929   1.266
  546    HB2  ARG  75           HB2      ARG  75  -5.298  -4.620  -0.093
  547    HB3  ARG  75           HB3      ARG  75  -5.941  -3.196   0.683
  548    HG2  ARG  75           HG2      ARG  75  -5.152  -2.666  -1.540
  549    HG3  ARG  75           HG3      ARG  75  -4.161  -1.809  -0.364
  550    HD2  ARG  75           HD2      ARG  75  -2.841  -2.765  -2.258
  551    HD3  ARG  75           HD3      ARG  75  -2.310  -3.343  -0.693
  552    HE   ARG  75           HE       ARG  75  -3.090  -5.494  -1.145
  553   HH11  ARG  75          HH11      ARG  75  -4.060  -3.395  -3.834
  554   HH12  ARG  75          HH12      ARG  75  -4.478  -4.737  -4.854
  555   HH21  ARG  75          HH21      ARG  75  -3.648  -7.181  -2.522
  556   HH22  ARG  75          HH22      ARG  75  -4.257  -6.845  -4.114
  557    H    VAL  76           H        VAL  76  -2.736  -1.725   1.873
  558    HA   VAL  76           HA       VAL  76  -3.829  -0.999   4.521
  559    HB   VAL  76           HB       VAL  76  -1.921   0.610   2.788
  560   HG11  VAL  76          HG11      VAL  76  -3.072   1.965   4.534
  561   HG12  VAL  76          HG12      VAL  76  -2.601   0.774   5.764
  562   HG13  VAL  76          HG13      VAL  76  -1.365   1.742   4.932
  563   HG21  VAL  76          HG21      VAL  76  -0.152  -0.261   4.309
  564   HG22  VAL  76          HG22      VAL  76  -1.338  -1.361   5.043
  565   HG23  VAL  76          HG23      VAL  76  -0.876  -1.545   3.342
  566    H    ASN  77           H        ASN  77  -5.436   0.435   4.896
  567    HA   ASN  77           HA       ASN  77  -6.429   2.416   3.053
  568    HB2  ASN  77           HB2      ASN  77  -7.240   0.451   1.810
  569    HB3  ASN  77           HB3      ASN  77  -7.963  -0.214   3.271
  570   HD21  ASN  77          HD22      ASN  77  -9.796  -0.216   1.523
  571   HD22  ASN  77          HD21      ASN  77 -10.824   1.203   1.540
  572    H    ASN  78           H        ASN  78  -7.098   3.954   4.419
  573    HA   ASN  78           HA       ASN  78  -8.103   3.216   7.110
  574    HB2  ASN  78           HB2      ASN  78  -7.157   5.873   6.034
  575    HB3  ASN  78           HB3      ASN  78  -7.588   5.504   7.718
  576   HD21  ASN  78          HD22      ASN  78  -5.186   6.702   7.215
  577   HD22  ASN  78          HD21      ASN  78  -3.884   5.528   7.417
  578    H    SER  79           H        SER  79  -9.512   3.819   4.276
  579    HA   SER  79           HA       SER  79 -11.463   4.249   3.401
  580    HB2  SER  79           HB2      SER  79 -13.376   3.305   4.587
  581    HB3  SER  79           HB3      SER  79 -11.936   2.285   4.599
  582    HG   SER  79           HG       SER  79 -12.844   2.226   6.592
  583    H    LEU  80           H        LEU  80 -11.634   5.749   6.543
  584    HA   LEU  80           HA       LEU  80 -13.208   8.055   5.365
  585    HB2  LEU  80           HB2      LEU  80 -13.220   6.969   8.215
  586    HB3  LEU  80           HB3      LEU  80 -13.997   8.461   7.694
  587    HG   LEU  80           HG       LEU  80 -14.764   5.661   6.801
  588   HD11  LEU  80          HD11      LEU  80 -16.275   7.758   8.427
  589   HD12  LEU  80          HD12      LEU  80 -16.822   6.118   8.050
  590   HD13  LEU  80          HD13      LEU  80 -15.431   6.364   9.122
  591   HD21  LEU  80          HD21      LEU  80 -15.887   8.376   5.953
  592   HD22  LEU  80          HD22      LEU  80 -15.149   7.153   4.897
  593   HD23  LEU  80          HD23      LEU  80 -16.701   6.820   5.671
  594    H    ASP  81           H        ASP  81 -10.345   7.188   7.193
  595    HA   ASP  81           HA       ASP  81  -9.674   9.734   8.242
  596    HB2  ASP  81           HB2      ASP  81  -8.658   7.392   8.601
  597    HB3  ASP  81           HB3      ASP  81  -7.824   7.650   7.061
  598    H    HIS  82           H        HIS  82  -9.146   8.380   5.016
  599    HA   HIS  82           HA       HIS  82  -7.600  10.530   3.896
  600    HB2  HIS  82           HB2      HIS  82  -9.517   8.639   2.470
  601    HB3  HIS  82           HB3      HIS  82  -8.132   9.461   1.779
  602    HD1  HIS  82           HD1      HIS  82  -5.696   8.591   3.357
  603    HD2  HIS  82           HD2      HIS  82  -9.040   6.120   2.725
  604    HE1  HIS  82           HE1      HIS  82  -4.892   6.199   3.696
  605    H    GLU  83           H        GLU  83 -10.944  10.429   4.802
  606    HA   GLU  83           HA       GLU  83 -11.818  12.339   2.740
  607    HB2  GLU  83           HB2      GLU  83 -13.442  11.019   4.949
  608    HB3  GLU  83           HB3      GLU  83 -14.060  11.977   3.622
  609    HG2  GLU  83           HG2      GLU  83 -12.642   9.289   3.336
  610    HG3  GLU  83           HG3      GLU  83 -14.378   9.565   3.251
  611    H    TYR  84           H        TYR  84 -11.129  12.250   6.192
  612    HA   TYR  84           HA       TYR  84 -12.261  15.000   6.520
  613    HB2  TYR  84           HB2      TYR  84 -11.625  12.920   8.621
  614    HB3  TYR  84           HB3      TYR  84 -12.549  14.393   8.847
  615    HD1  TYR  84           HD1      TYR  84 -14.392  14.190   6.377
  616    HD2  TYR  84           HD2      TYR  84 -13.144  11.313   9.345
  617    HE1  TYR  84           HE1      TYR  84 -16.465  12.882   5.978
  618    HE2  TYR  84           HE2      TYR  84 -15.232  10.027   8.985
  619    HH   TYR  84           HH       TYR  84 -17.148   9.838   7.749
  620    H    GLN  85           H        GLN  85  -9.214  13.245   7.368
  621    HA   GLN  85           HA       GLN  85  -8.434  15.605   9.012
  622    HB2  GLN  85           HB2      GLN  85  -8.614  14.193  10.983
  623    HB3  GLN  85           HB3      GLN  85 -10.124  14.146  10.076
  624    HG2  GLN  85           HG2      GLN  85  -9.308  11.958   9.023
  625    HG3  GLN  85           HG3      GLN  85  -7.944  12.020  10.132
  626   HE21  GLN  85          HE22      GLN  85  -8.752   9.928  10.765
  627   HE22  GLN  85          HE21      GLN  85 -10.080   9.842  11.960
  628    HA   PRO  86           HA       PRO  86  -4.240  13.903   8.848
  629    HB2  PRO  86           HB2      PRO  86  -3.004  15.339  10.768
  630    HB3  PRO  86           HB3      PRO  86  -3.650  16.111   9.288
  631    HG2  PRO  86           HG2      PRO  86  -4.938  15.981  12.033
  632    HG3  PRO  86           HG3      PRO  86  -4.754  17.400  10.955
  633    HD2  PRO  86           HD2      PRO  86  -7.055  15.853  11.060
  634    HD3  PRO  86           HD3      PRO  86  -6.521  16.724   9.594
  635    H    ARG  87           H        ARG  87  -6.015  13.869  11.918
  636    HA   ARG  87           HA       ARG  87  -6.226  12.525  13.633
  637    HB2  ARG  87           HB2      ARG  87  -6.595  10.971  11.815
  638    HB3  ARG  87           HB3      ARG  87  -4.901  10.458  11.859
  639    HG2  ARG  87           HG2      ARG  87  -5.169   9.521  14.078
  640    HG3  ARG  87           HG3      ARG  87  -6.778  10.267  14.224
  641    HD2  ARG  87           HD2      ARG  87  -6.736   7.757  13.751
  642    HD3  ARG  87           HD3      ARG  87  -7.790   8.774  12.785
  643    HE   ARG  87           HE       ARG  87  -6.422   8.563  10.902
  644   HH11  ARG  87          HH11      ARG  87  -4.903   6.652  13.515
  645   HH12  ARG  87          HH12      ARG  87  -3.783   5.947  12.367
  646   HH21  ARG  87          HH21      ARG  87  -4.962   7.634   9.598
  647   HH22  ARG  87          HH22      ARG  87  -3.799   6.478  10.251
  648    HA   PRO  88           HA       PRO  88  -2.331  12.484  15.997
  649    HB2  PRO  88           HB2      PRO  88  -3.290  12.125  18.492
  650    HB3  PRO  88           HB3      PRO  88  -3.525  13.651  17.599
  651    HG2  PRO  88           HG2      PRO  88  -5.490  11.358  17.896
  652    HG3  PRO  88           HG3      PRO  88  -5.783  13.106  18.126
  653    HD2  PRO  88           HD2      PRO  88  -6.348  11.785  15.798
  654    HD3  PRO  88           HD3      PRO  88  -5.847  13.502  15.826
  655    H    VAL  89           H        VAL  89  -1.463  10.634  15.045
  656    HA   VAL  89           HA       VAL  89  -2.482   8.031  15.176
  657    HB   VAL  89           HB       VAL  89   0.261   9.152  14.614
  658   HG11  VAL  89          HG11      VAL  89   0.924   7.029  15.577
  659   HG12  VAL  89          HG12      VAL  89  -0.356   6.179  14.694
  660   HG13  VAL  89          HG13      VAL  89   1.024   6.881  13.823
  661   HG21  VAL  89          HG21      VAL  89  -1.750   7.585  12.941
  662   HG22  VAL  89          HG22      VAL  89  -1.574   9.348  12.949
  663   HG23  VAL  89          HG23      VAL  89  -0.254   8.332  12.350
  664    H    GLU  90           H        GLU  90  -0.226   9.534  17.522
  665    HA   GLU  90           HA       GLU  90   0.354   7.055  18.877
  666    HB2  GLU  90           HB2      GLU  90   0.504   9.890  20.004
  667    HB3  GLU  90           HB3      GLU  90   1.286   8.448  20.663
  668    HG2  GLU  90           HG2      GLU  90   2.570   8.239  18.499
  669    HG3  GLU  90           HG3      GLU  90   1.886   9.799  18.007
  670    H    VAL  91           H        VAL  91  -2.097   9.569  19.419
  671    HA   VAL  91           HA       VAL  91  -3.016   8.489  21.953
  672    HB   VAL  91           HB       VAL  91  -4.363  10.407  20.015
  673   HG11  VAL  91          HG11      VAL  91  -5.016   9.810  22.941
  674   HG12  VAL  91          HG12      VAL  91  -5.694  11.153  21.998
  675   HG13  VAL  91          HG13      VAL  91  -6.062   9.491  21.536
  676   HG21  VAL  91          HG21      VAL  91  -2.190  11.267  20.846
  677   HG22  VAL  91          HG22      VAL  91  -3.534  12.172  21.551
  678   HG23  VAL  91          HG23      VAL  91  -2.692  10.940  22.514
  679    H    ILE  92           H        ILE  92  -4.024   8.085  18.551
  680    HA   ILE  92           HA       ILE  92  -6.262   6.294  19.252
  681    HB   ILE  92           HB       ILE  92  -5.118   7.411  16.723
  682   HG12  ILE  92          HG12      ILE  92  -7.947   7.375  17.886
  683   HG13  ILE  92          HG13      ILE  92  -6.753   8.503  18.497
  684   HG21  ILE  92          HG21      ILE  92  -5.614   5.108  16.075
  685   HG22  ILE  92          HG22      ILE  92  -7.170   5.160  16.924
  686   HG23  ILE  92          HG23      ILE  92  -6.906   6.156  15.481
  687   HD11  ILE  92          HD11      ILE  92  -7.728   8.424  15.642
  688   HD12  ILE  92          HD12      ILE  92  -8.136   9.612  16.890
  689   HD13  ILE  92          HD13      ILE  92  -6.459   9.494  16.308
  690    H    ILE  93           H        ILE  93  -2.844   5.668  18.232
  691    HA   ILE  93           HA       ILE  93  -3.212   2.789  18.347
  692    HB   ILE  93           HB       ILE  93  -0.840   4.667  18.630
  693   HG12  ILE  93          HG12      ILE  93  -1.524   2.478  16.596
  694   HG13  ILE  93          HG13      ILE  93  -1.921   4.181  16.392
  695   HG21  ILE  93          HG21      ILE  93  -0.730   1.643  18.959
  696   HG22  ILE  93          HG22      ILE  93   0.687   2.678  18.678
  697   HG23  ILE  93          HG23      ILE  93  -0.247   2.863  20.146
  698   HD11  ILE  93          HD11      ILE  93   0.878   2.994  16.510
  699   HD12  ILE  93          HD12      ILE  93   0.065   3.732  15.138
  700   HD13  ILE  93          HD13      ILE  93   0.503   4.741  16.541
  701    H    SER  94           H        SER  94  -2.463   5.194  20.881
  702    HA   SER  94           HA       SER  94  -2.136   3.279  22.991
  703    HB2  SER  94           HB2      SER  94  -3.106   6.163  23.192
  704    HB3  SER  94           HB3      SER  94  -2.488   5.168  24.516
  705    HG   SER  94           HG       SER  94  -1.099   6.172  22.245
  706    H    SER  95           H        SER  95  -5.003   4.975  21.749
  707    HA   SER  95           HA       SER  95  -6.934   3.923  23.590
  708    HB2  SER  95           HB2      SER  95  -7.164   4.897  20.723
  709    HB3  SER  95           HB3      SER  95  -8.551   4.503  21.758
  710    HG   SER  95           HG       SER  95  -6.614   6.565  22.134
  711    H    ALA  96           H        ALA  96  -5.867   2.743  20.323
  712    HA   ALA  96           HA       ALA  96  -7.536   0.441  20.270
  713    HB1  ALA  96           HB1      ALA  96  -6.312   1.476  18.329
  714    HB2  ALA  96           HB2      ALA  96  -4.787   0.847  18.995
  715    HB3  ALA  96           HB3      ALA  96  -6.059  -0.274  18.462
  716    H    LYS  97           H        LYS  97  -4.214   0.817  21.594
  717    HA   LYS  97           HA       LYS  97  -3.971  -1.893  22.544
  718    HB2  LYS  97           HB2      LYS  97  -2.708   0.740  23.401
  719    HB3  LYS  97           HB3      LYS  97  -2.283  -0.815  24.133
  720    HG2  LYS  97           HG2      LYS  97  -1.494  -1.702  22.018
  721    HG3  LYS  97           HG3      LYS  97  -2.117  -0.321  21.124
  722    HD2  LYS  97           HD2      LYS  97   0.274  -0.098  21.343
  723    HD3  LYS  97           HD3      LYS  97  -0.526   1.184  22.272
  724    HE2  LYS  97           HE2      LYS  97  -0.176  -0.118  24.373
  725    HE3  LYS  97           HE3      LYS  97   0.582  -1.421  23.446
  726    HZ1  LYS  97           HZ1      LYS  97   1.634   1.356  23.663
  727    HZ2  LYS  97           HZ2      LYS  97   2.233   0.057  24.449
  728    HZ3  LYS  97           HZ3      LYS  97   2.345   0.145  22.818
  729    H    GLU  98           H        GLU  98  -5.181   1.046  24.284
  730    HA   GLU  98           HA       GLU  98  -5.843  -0.310  26.694
  731    HB2  GLU  98           HB2      GLU  98  -6.922   2.202  25.384
  732    HB3  GLU  98           HB3      GLU  98  -7.530   1.639  26.940
  733    HG2  GLU  98           HG2      GLU  98  -4.584   2.205  26.423
  734    HG3  GLU  98           HG3      GLU  98  -5.717   3.387  27.071
  735    H    MET  99           H        MET  99  -7.692  -0.074  23.687
  736    HA   MET  99           HA       MET  99 -10.111  -1.260  24.756
  737    HB2  MET  99           HB2      MET  99  -9.106  -0.715  21.935
  738    HB3  MET  99           HB3      MET  99 -10.628  -1.551  22.252
  739    HG2  MET  99           HG2      MET  99 -11.443   0.350  23.596
  740    HG3  MET  99           HG3      MET  99  -9.926   1.200  23.337
  741    HE1  MET  99           HE1      MET  99 -11.953  -0.889  20.525
  742    HE2  MET  99           HE2      MET  99 -13.161  -0.244  21.670
  743    HE3  MET  99           HE3      MET  99 -13.064   0.390  20.013
  744    H    VAL 100           H        VAL 100  -7.164  -2.804  24.244
  745    HA   VAL 100           HA       VAL 100  -8.035  -5.354  23.237
  746    HB   VAL 100           HB       VAL 100  -5.823  -4.701  25.215
  747   HG11  VAL 100          HG11      VAL 100  -6.446  -7.360  23.847
  748   HG12  VAL 100          HG12      VAL 100  -4.932  -6.983  24.694
  749   HG13  VAL 100          HG13      VAL 100  -6.442  -7.050  25.597
  750   HG21  VAL 100          HG21      VAL 100  -5.563  -3.868  22.837
  751   HG22  VAL 100          HG22      VAL 100  -4.349  -5.068  23.287
  752   HG23  VAL 100          HG23      VAL 100  -5.738  -5.535  22.272
  753    H    GLY 101           H        GLY 101  -9.426  -6.726  23.993
  754    HA2  GLY 101           HA2      GLY 101 -10.488  -8.108  25.602
  755    HA3  GLY 101           HA3      GLY 101 -10.080  -6.960  26.897
  756    H    GLN 102           H        GLN 102 -11.309  -5.032  24.433
  757    HA   GLN 102           HA       GLN 102 -13.924  -4.783  25.669
  758    HB2  GLN 102           HB2      GLN 102 -12.709  -3.624  23.132
  759    HB3  GLN 102           HB3      GLN 102 -14.382  -3.337  23.591
  760    HG2  GLN 102           HG2      GLN 102 -12.037  -2.681  25.418
  761    HG3  GLN 102           HG3      GLN 102 -12.776  -1.532  24.293
  762   HE21  GLN 102          HE22      GLN 102 -15.117  -0.936  24.664
  763   HE22  GLN 102          HE21      GLN 102 -15.744  -1.088  26.295
  764    H    LYS 103           H        LYS 103 -15.676  -5.902  25.342
  765    HA   LYS 103           HA       LYS 103 -15.830  -7.970  23.327
  766    HB2  LYS 103           HB2      LYS 103 -15.995  -8.154  25.886
  767    HB3  LYS 103           HB3      LYS 103 -17.475  -7.202  25.780
  768    HG2  LYS 103           HG2      LYS 103 -18.308  -9.295  25.848
  769    HG3  LYS 103           HG3      LYS 103 -18.261  -8.988  24.106
  770    HD2  LYS 103           HD2      LYS 103 -17.421 -11.215  24.358
  771    HD3  LYS 103           HD3      LYS 103 -15.976 -10.221  24.111
  772    HE2  LYS 103           HE2      LYS 103 -15.671 -10.126  26.620
  773    HE3  LYS 103           HE3      LYS 103 -17.088 -11.168  26.803
  774    HZ1  LYS 103           HZ1      LYS 103 -14.516 -11.896  25.487
  775    HZ2  LYS 103           HZ2      LYS 103 -15.092 -12.479  26.901
  776    HZ3  LYS 103           HZ3      LYS 103 -15.847 -12.873  25.509
  777    H    MET 104           H        MET 104 -17.278  -8.003  21.719
  778    HA   MET 104           HA       MET 104 -19.539  -6.041  21.525
  779    HB2  MET 104           HB2      MET 104 -17.386  -6.711  19.550
  780    HB3  MET 104           HB3      MET 104 -19.015  -6.739  18.900
  781    HG2  MET 104           HG2      MET 104 -18.071  -4.554  18.575
  782    HG3  MET 104           HG3      MET 104 -19.461  -4.483  19.644
  783    HE1  MET 104           HE1      MET 104 -15.614  -4.061  19.252
  784    HE2  MET 104           HE2      MET 104 -15.072  -3.754  20.914
  785    HE3  MET 104           HE3      MET 104 -15.623  -5.379  20.457
  786    H    LYS 105           H        LYS 105 -21.207  -6.945  19.883
  787    HA   LYS 105           HA       LYS 105 -21.526  -9.896  20.202
  788    HB2  LYS 105           HB2      LYS 105 -22.958  -8.063  21.703
  789    HB3  LYS 105           HB3      LYS 105 -24.012  -8.238  20.317
  790    HG2  LYS 105           HG2      LYS 105 -24.756  -9.882  21.830
  791    HG3  LYS 105           HG3      LYS 105 -23.766 -10.812  20.701
  792    HD2  LYS 105           HD2      LYS 105 -21.813 -10.487  22.373
  793    HD3  LYS 105           HD3      LYS 105 -23.000  -9.855  23.502
  794    HE2  LYS 105           HE2      LYS 105 -23.079 -12.629  22.209
  795    HE3  LYS 105           HE3      LYS 105 -22.441 -12.276  23.814
  796    HZ1  LYS 105           HZ1      LYS 105 -24.709 -13.060  23.975
  797    HZ2  LYS 105           HZ2      LYS 105 -24.654 -11.509  24.482
  798    HZ3  LYS 105           HZ3      LYS 105 -25.276 -11.869  23.012
  799    H    TYR 106           H        TYR 106 -24.064  -9.980  18.824
  800    HA   TYR 106           HA       TYR 106 -22.928 -10.384  16.223
  801    HB2  TYR 106           HB2      TYR 106 -24.565 -11.883  17.346
  802    HB3  TYR 106           HB3      TYR 106 -25.813 -10.656  17.141
  803    HD1  TYR 106           HD2      TYR 106 -23.350 -12.766  15.246
  804    HD2  TYR 106           HD1      TYR 106 -27.078 -10.598  15.107
  805    HE1  TYR 106           HE2      TYR 106 -23.773 -13.652  12.966
  806    HE2  TYR 106           HE1      TYR 106 -27.504 -11.482  12.819
  807    HH   TYR 106           HH       TYR 106 -25.193 -13.673  11.167
  808    H    SER 107           H        SER 107 -23.589  -9.600  14.223
  809    HA   SER 107           HA       SER 107 -25.335  -7.560  13.460
  810    HB2  SER 107           HB2      SER 107 -22.594  -6.545  14.326
  811    HB3  SER 107           HB3      SER 107 -23.510  -5.741  13.052
  812    HG   SER 107           HG       SER 107 -24.558  -6.273  15.636
  813    H    ILE 108           H        ILE 108 -24.589  -6.682  11.203
  814    HA   ILE 108           HA       ILE 108 -23.524  -8.823   9.559
  815    HB   ILE 108           HB       ILE 108 -23.930  -5.852   8.974
  816   HG12  ILE 108          HG12      ILE 108 -25.635  -8.294   8.266
  817   HG13  ILE 108          HG13      ILE 108 -26.016  -7.141   9.538
  818   HG21  ILE 108          HG21      ILE 108 -23.741  -6.474   6.581
  819   HG22  ILE 108          HG22      ILE 108 -22.250  -6.836   7.431
  820   HG23  ILE 108          HG23      ILE 108 -23.383  -8.154   7.039
  821   HD11  ILE 108          HD11      ILE 108 -25.994  -6.569   6.556
  822   HD12  ILE 108          HD12      ILE 108 -27.371  -6.596   7.662
  823   HD13  ILE 108          HD13      ILE 108 -26.157  -5.317   7.817
  824    H    VAL 109           H        VAL 109 -21.397  -9.370   9.340
  825    HA   VAL 109           HA       VAL 109 -19.459  -8.357  11.035
  826    HB   VAL 109           HB       VAL 109 -18.979  -9.914   8.469
  827   HG11  VAL 109          HG11      VAL 109 -16.829  -8.956   9.131
  828   HG12  VAL 109          HG12      VAL 109 -17.102  -9.419  10.827
  829   HG13  VAL 109          HG13      VAL 109 -16.845 -10.660   9.584
  830   HG21  VAL 109          HG21      VAL 109 -20.438 -11.094  10.081
  831   HG22  VAL 109          HG22      VAL 109 -18.852 -11.864  10.013
  832   HG23  VAL 109          HG23      VAL 109 -19.265 -10.805  11.378
  833    H    SER 110           H        SER 110 -19.978  -7.319   7.660
  834    HA   SER 110           HA       SER 110 -17.732  -5.607   7.342
  835    HB2  SER 110           HB2      SER 110 -19.335  -6.198   5.553
  836    HB3  SER 110           HB3      SER 110 -20.574  -5.194   6.329
  837    HG   SER 110           HG       SER 110 -19.423  -4.093   4.642
  838    H    ARG 111           H        ARG 111 -21.015  -4.648   8.642
  839    HA   ARG 111           HA       ARG 111 -19.977  -2.094   9.485
  840    HB2  ARG 111           HB2      ARG 111 -22.403  -2.470   9.028
  841    HB3  ARG 111           HB3      ARG 111 -22.490  -3.471  10.479
  842    HG2  ARG 111           HG2      ARG 111 -23.296  -1.259  11.025
  843    HG3  ARG 111           HG3      ARG 111 -21.749  -1.460  11.856
  844    HD2  ARG 111           HD2      ARG 111 -20.615  -0.125  10.131
  845    HD3  ARG 111           HD3      ARG 111 -22.149   0.066   9.252
  846    HE   ARG 111           HE       ARG 111 -22.687   0.921  11.836
  847   HH11  ARG 111          HH11      ARG 111 -20.428   1.996   9.306
  848   HH12  ARG 111          HH12      ARG 111 -20.444   3.638   9.895
  849   HH21  ARG 111          HH21      ARG 111 -22.644   3.055  12.520
  850   HH22  ARG 111          HH22      ARG 111 -21.692   4.228  11.667
  851    H    ASN 112           H        ASN 112 -20.287  -5.236  11.130
  852    HA   ASN 112           HA       ASN 112 -19.790  -4.326  13.758
  853    HB2  ASN 112           HB2      ASN 112 -20.438  -6.681  12.801
  854    HB3  ASN 112           HB3      ASN 112 -18.704  -6.983  12.763
  855   HD21  ASN 112          HD22      ASN 112 -20.598  -8.457  14.329
  856   HD22  ASN 112          HD21      ASN 112 -20.342  -8.092  16.030
  857    H    CYS 113           H        CYS 113 -17.375  -5.283  11.277
  858    HA   CYS 113           HA       CYS 113 -15.129  -4.479  12.940
  859    HB2  CYS 113           HB2      CYS 113 -13.740  -5.235  11.196
  860    HB3  CYS 113           HB3      CYS 113 -15.067  -6.372  11.370
  861    HG   CYS 113           HG       CYS 113 -16.481  -5.601   9.344
  862    H    GLU 114           H        GLU 114 -16.875  -2.872  10.217
  863    HA   GLU 114           HA       GLU 114 -15.246  -0.547  10.068
  864    HB2  GLU 114           HB2      GLU 114 -16.992  -1.204   8.447
  865    HB3  GLU 114           HB3      GLU 114 -18.231  -0.809   9.644
  866    HG2  GLU 114           HG2      GLU 114 -17.466   1.563   9.637
  867    HG3  GLU 114           HG3      GLU 114 -16.235   1.144   8.434
  868    H    HIS 115           H        HIS 115 -18.146  -1.137  12.127
  869    HA   HIS 115           HA       HIS 115 -18.109   1.343  13.511
  870    HB2  HIS 115           HB2      HIS 115 -20.014  -0.209  13.440
  871    HB3  HIS 115           HB3      HIS 115 -19.111  -1.384  14.405
  872    HD1  HIS 115           HD1      HIS 115 -20.683  -1.308  16.535
  873    HD2  HIS 115           HD2      HIS 115 -19.312   2.448  15.219
  874    HE1  HIS 115           HE1      HIS 115 -21.361   0.371  18.325
  875    H    PHE 116           H        PHE 116 -16.405  -1.779  14.124
  876    HA   PHE 116           HA       PHE 116 -15.093  -1.017  16.559
  877    HB2  PHE 116           HB2      PHE 116 -14.974  -3.256  16.230
  878    HB3  PHE 116           HB3      PHE 116 -14.818  -3.137  14.504
  879    HD1  PHE 116           HD2      PHE 116 -12.890  -2.545  17.649
  880    HD2  PHE 116           HD1      PHE 116 -12.715  -3.442  13.425
  881    HE1  PHE 116           HE2      PHE 116 -10.443  -2.881  17.817
  882    HE2  PHE 116           HE1      PHE 116 -10.263  -3.757  13.597
  883    HZ   PHE 116           HZ       PHE 116  -9.119  -3.454  15.791
  884    H    VAL 117           H        VAL 117 -13.743  -0.837  13.149
  885    HA   VAL 117           HA       VAL 117 -11.474   0.630  14.169
  886    HB   VAL 117           HB       VAL 117 -10.897   1.308  11.890
  887   HG11  VAL 117          HG11      VAL 117 -11.512  -1.647  12.183
  888   HG12  VAL 117          HG12      VAL 117 -10.259  -0.895  11.175
  889   HG13  VAL 117          HG13      VAL 117 -10.135  -0.802  12.934
  890   HG21  VAL 117          HG21      VAL 117 -12.057   0.431   9.949
  891   HG22  VAL 117          HG22      VAL 117 -13.297  -0.298  10.975
  892   HG23  VAL 117          HG23      VAL 117 -13.161   1.466  10.874
  893    H    THR 118           H        THR 118 -14.646   1.832  13.247
  894    HA   THR 118           HA       THR 118 -13.828   4.650  13.339
  895    HB   THR 118           HB       THR 118 -16.612   3.716  13.967
  896    HG1  THR 118           HG1      THR 118 -16.066   2.741  11.979
  897   HG21  THR 118          HG21      THR 118 -17.206   5.834  12.850
  898   HG22  THR 118          HG22      THR 118 -16.151   6.114  14.248
  899   HG23  THR 118          HG23      THR 118 -15.490   6.198  12.596
  900    H    GLN 119           H        GLN 119 -15.026   2.334  15.831
  901    HA   GLN 119           HA       GLN 119 -14.801   4.259  17.952
  902    HB2  GLN 119           HB2      GLN 119 -14.818   1.238  17.892
  903    HB3  GLN 119           HB3      GLN 119 -14.608   2.144  19.392
  904    HG2  GLN 119           HG2      GLN 119 -16.737   3.225  19.200
  905    HG3  GLN 119           HG3      GLN 119 -16.968   2.666  17.542
  906   HE21  GLN 119          HE22      GLN 119 -17.112   0.306  17.197
  907   HE22  GLN 119          HE21      GLN 119 -17.845  -0.694  18.469
  908    H    LEU 120           H        LEU 120 -12.261   2.388  16.297
  909    HA   LEU 120           HA       LEU 120 -10.234   3.071  18.272
  910    HB2  LEU 120           HB2      LEU 120  -9.866   2.407  15.313
  911    HB3  LEU 120           HB3      LEU 120  -8.606   2.522  16.530
  912    HG   LEU 120           HG       LEU 120 -10.750   0.383  16.298
  913   HD11  LEU 120          HD11      LEU 120  -7.707   0.296  16.306
  914   HD12  LEU 120          HD12      LEU 120  -8.782  -1.082  16.079
  915   HD13  LEU 120          HD13      LEU 120  -8.733   0.202  14.856
  916   HD21  LEU 120          HD21      LEU 120 -10.614   0.778  18.656
  917   HD22  LEU 120          HD22      LEU 120  -9.623  -0.648  18.326
  918   HD23  LEU 120          HD23      LEU 120  -8.843   0.932  18.592
  919    H    ARG 121           H        ARG 121 -10.879   4.478  15.016
  920    HA   ARG 121           HA       ARG 121  -9.204   6.782  15.613
  921    HB2  ARG 121           HB2      ARG 121  -9.618   7.489  13.331
  922    HB3  ARG 121           HB3      ARG 121  -9.324   5.750  13.361
  923    HG2  ARG 121           HG2      ARG 121 -11.960   5.593  13.508
  924    HG3  ARG 121           HG3      ARG 121 -11.932   7.238  12.906
  925    HD2  ARG 121           HD2      ARG 121 -10.824   6.539  10.858
  926    HD3  ARG 121           HD3      ARG 121 -10.583   4.899  11.506
  927    HE   ARG 121           HE       ARG 121 -13.378   5.743  11.464
  928   HH11  ARG 121          HH11      ARG 121 -10.947   4.559   9.217
  929   HH12  ARG 121          HH12      ARG 121 -12.091   3.653   8.290
  930   HH21  ARG 121          HH21      ARG 121 -14.794   4.284  10.422
  931   HH22  ARG 121          HH22      ARG 121 -14.250   3.505   8.971
  932    H    TYR 122           H        TYR 122 -12.127   6.216  16.819
  933    HA   TYR 122           HA       TYR 122 -13.902   8.147  16.268
  934    HB2  TYR 122           HB2      TYR 122 -13.714   6.164  18.071
  935    HB3  TYR 122           HB3      TYR 122 -13.494   7.481  19.181
  936    HD1  TYR 122           HD1      TYR 122 -15.676   9.124  17.114
  937    HD2  TYR 122           HD2      TYR 122 -15.605   5.576  19.584
  938    HE1  TYR 122           HE1      TYR 122 -18.127   9.217  17.318
  939    HE2  TYR 122           HE2      TYR 122 -18.066   5.666  19.781
  940    HH   TYR 122           HH       TYR 122 -19.992   6.800  19.209
  941    H    GLY 123           H        GLY 123 -10.974   8.459  18.124
  942    HA2  GLY 123           HA2      GLY 123 -11.190  10.834  19.607
  943    HA3  GLY 123           HA3      GLY 123  -9.687  10.150  18.929
  944    H    LYS 124           H        LYS 124 -10.951  10.567  16.122
  945    HA   LYS 124           HA       LYS 124 -10.981  13.539  16.028
  946    HB2  LYS 124           HB2      LYS 124  -8.667  12.514  15.490
  947    HB3  LYS 124           HB3      LYS 124  -9.408  11.876  14.029
  948    HG2  LYS 124           HG2      LYS 124  -8.295  13.891  13.426
  949    HG3  LYS 124           HG3      LYS 124 -10.016  14.273  13.399
  950    HD2  LYS 124           HD2      LYS 124  -9.743  15.301  15.723
  951    HD3  LYS 124           HD3      LYS 124  -8.027  14.912  15.632
  952    HE2  LYS 124           HE2      LYS 124  -8.167  17.192  15.044
  953    HE3  LYS 124           HE3      LYS 124  -7.899  16.342  13.518
  954    HZ1  LYS 124           HZ1      LYS 124 -10.322  16.556  13.092
  955    HZ2  LYS 124           HZ2      LYS 124 -10.529  17.332  14.522
  956    HZ3  LYS 124           HZ3      LYS 124  -9.651  18.027  13.338
  957    H    SER 125           H        SER 125 -12.104  10.532  14.580
  958    HA   SER 125           HA       SER 125 -13.519  11.809  12.376
  959    HB2  SER 125           HB2      SER 125 -14.439   9.619  11.918
  960    HB3  SER 125           HB3      SER 125 -12.694   9.466  12.237
  961    HG   SER 125           HG       SER 125 -14.536   9.440  14.321
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   7.210   2.481  -9.960
    2    H2   MET   1           H2       MET   1   5.915   2.411 -10.964
    3    H3   MET   1           H3       MET   1   5.904   3.424  -9.686
    4    HA   MET   1           HA       MET   1   4.518   1.509  -9.214
    5    HB2  MET   1           HB2      MET   1   7.116  -0.046  -9.630
    6    HB3  MET   1           HB3      MET   1   5.675  -0.701  -8.851
    7    HG2  MET   1           HG2      MET   1   4.364  -0.286 -10.919
    8    HG3  MET   1           HG3      MET   1   5.831   0.290 -11.720
    9    HE1  MET   1           HE1      MET   1   3.930  -1.996 -12.891
   10    HE2  MET   1           HE2      MET   1   5.396  -1.397 -13.708
   11    HE3  MET   1           HE3      MET   1   5.151  -3.142 -13.488
   12    H    ALA   2           H        ALA   2   4.336   0.632  -7.052
   13    HA   ALA   2           HA       ALA   2   5.715   2.211  -5.029
   14    HB1  ALA   2           HB1      ALA   2   3.723  -0.089  -4.801
   15    HB2  ALA   2           HB2      ALA   2   4.208   1.001  -3.489
   16    HB3  ALA   2           HB3      ALA   2   3.320   1.648  -4.879
   17    H    SER   3           H        SER   3   6.807   1.308  -3.148
   18    HA   SER   3           HA       SER   3   8.916  -0.509  -3.826
   19    HB2  SER   3           HB2      SER   3   8.078   0.486  -1.080
   20    HB3  SER   3           HB3      SER   3   9.654  -0.180  -1.514
   21    HG   SER   3           HG       SER   3  10.034   1.638  -2.810
   22    HA   PRO   4           HA       PRO   4   7.011  -4.349  -2.601
   23    HB2  PRO   4           HB2      PRO   4   9.137  -6.035  -2.484
   24    HB3  PRO   4           HB3      PRO   4   8.631  -5.242  -4.008
   25    HG2  PRO   4           HG2      PRO   4  10.810  -4.353  -2.083
   26    HG3  PRO   4           HG3      PRO   4  10.938  -4.573  -3.858
   27    HD2  PRO   4           HD2      PRO   4  10.453  -2.134  -2.731
   28    HD3  PRO   4           HD3      PRO   4   9.715  -2.619  -4.288
   29    H    HIS   5           H        HIS   5   9.228  -2.779  -0.378
   30    HA   HIS   5           HA       HIS   5   9.430  -4.800   1.592
   31    HB2  HIS   5           HB2      HIS   5   9.666  -1.786   1.945
   32    HB3  HIS   5           HB3      HIS   5  10.361  -3.024   2.986
   33    HD1  HIS   5           HD1      HIS   5  11.768  -0.708   0.818
   34    HD2  HIS   5           HD2      HIS   5  11.841  -4.915   0.947
   35    HE1  HIS   5           HE1      HIS   5  13.816  -1.429  -0.513
   36    H    GLN   6           H        GLN   6   8.549  -4.991   3.692
   37    HA   GLN   6           HA       GLN   6   5.700  -4.190   3.955
   38    HB2  GLN   6           HB2      GLN   6   6.302  -6.564   4.190
   39    HB3  GLN   6           HB3      GLN   6   7.488  -6.166   5.436
   40    HG2  GLN   6           HG2      GLN   6   5.598  -5.348   6.908
   41    HG3  GLN   6           HG3      GLN   6   4.458  -5.876   5.665
   42   HE21  GLN   6          HE22      GLN   6   3.771  -8.060   5.814
   43   HE22  GLN   6          HE21      GLN   6   4.610  -9.254   6.801
   44    H    GLU   7           H        GLU   7   5.034  -2.666   5.429
   45    HA   GLU   7           HA       GLU   7   6.398  -2.336   7.947
   46    HB2  GLU   7           HB2      GLU   7   7.725  -0.801   6.462
   47    HB3  GLU   7           HB3      GLU   7   6.244   0.105   6.132
   48    HG2  GLU   7           HG2      GLU   7   6.049   0.645   8.548
   49    HG3  GLU   7           HG3      GLU   7   7.477  -0.341   8.892
   50    HA   PRO   8           HA       PRO   8   1.978  -1.427   8.651
   51    HB2  PRO   8           HB2      PRO   8   1.954  -1.338  11.362
   52    HB3  PRO   8           HB3      PRO   8   2.176  -2.876  10.469
   53    HG2  PRO   8           HG2      PRO   8   4.331  -1.089  11.641
   54    HG3  PRO   8           HG3      PRO   8   4.139  -2.855  11.858
   55    HD2  PRO   8           HD2      PRO   8   5.818  -1.793  10.001
   56    HD3  PRO   8           HD3      PRO   8   4.901  -3.294   9.674
   57    H    LYS   9           H        LYS   9   0.797   0.473   8.991
   58    HA   LYS   9           HA       LYS   9   2.404   2.943   9.518
   59    HB2  LYS   9           HB2      LYS   9   0.036   2.553   7.658
   60    HB3  LYS   9           HB3      LYS   9   0.926   4.046   7.897
   61    HG2  LYS   9           HG2      LYS   9   1.971   1.481   6.609
   62    HG3  LYS   9           HG3      LYS   9   1.538   2.992   5.814
   63    HD2  LYS   9           HD2      LYS   9   3.372   4.117   7.210
   64    HD3  LYS   9           HD3      LYS   9   3.906   2.479   7.656
   65    HE2  LYS   9           HE2      LYS   9   4.269   1.889   5.318
   66    HE3  LYS   9           HE3      LYS   9   3.543   3.413   4.778
   67    HZ1  LYS   9           HZ1      LYS   9   5.957   3.535   4.721
   68    HZ2  LYS   9           HZ2      LYS   9   5.393   4.600   5.826
   69    HZ3  LYS   9           HZ3      LYS   9   6.087   3.195   6.314
   70    HA   PRO  10           HA       PRO  10  -0.382   3.488  12.921
   71    HB2  PRO  10           HB2      PRO  10   0.141   6.026  13.716
   72    HB3  PRO  10           HB3      PRO  10   1.311   4.677  13.901
   73    HG2  PRO  10           HG2      PRO  10   1.180   6.730  11.664
   74    HG3  PRO  10           HG3      PRO  10   2.606   6.254  12.646
   75    HD2  PRO  10           HD2      PRO  10   2.135   5.175  10.193
   76    HD3  PRO  10           HD3      PRO  10   2.777   4.164  11.528
   77    H    GLY  11           H        GLY  11  -2.446   3.852  13.176
   78    HA2  GLY  11           HA2      GLY  11  -4.578   4.737  12.894
   79    HA3  GLY  11           HA3      GLY  11  -3.932   5.970  11.781
   80    H    ASP  12           H        ASP  12  -2.755   3.179  10.546
   81    HA   ASP  12           HA       ASP  12  -5.046   2.946   8.651
   82    HB2  ASP  12           HB2      ASP  12  -2.095   2.443   8.244
   83    HB3  ASP  12           HB3      ASP  12  -3.348   2.062   7.068
   84    H    LEU  13           H        LEU  13  -5.111   0.899   7.467
   85    HA   LEU  13           HA       LEU  13  -5.717  -1.185   9.467
   86    HB2  LEU  13           HB2      LEU  13  -6.704  -0.788   6.604
   87    HB3  LEU  13           HB3      LEU  13  -7.312  -1.956   7.782
   88    HG   LEU  13           HG       LEU  13  -7.476   1.057   8.008
   89   HD11  LEU  13          HD11      LEU  13  -9.918   0.640   7.710
   90   HD12  LEU  13          HD12      LEU  13  -8.979   0.081   6.308
   91   HD13  LEU  13          HD13      LEU  13  -9.588  -1.093   7.486
   92   HD21  LEU  13          HD21      LEU  13  -8.470  -1.190   9.837
   93   HD22  LEU  13          HD22      LEU  13  -7.284   0.043  10.236
   94   HD23  LEU  13          HD23      LEU  13  -8.980   0.511   9.990
   95    H    ILE  14           H        ILE  14  -4.431  -2.735   9.699
   96    HA   ILE  14           HA       ILE  14  -2.776  -3.795   7.461
   97    HB   ILE  14           HB       ILE  14  -2.726  -4.886  10.271
   98   HG12  ILE  14          HG12      ILE  14  -1.039  -2.464   9.513
   99   HG13  ILE  14          HG13      ILE  14  -2.470  -2.359  10.536
  100   HG21  ILE  14          HG21      ILE  14  -0.444  -5.492   9.639
  101   HG22  ILE  14          HG22      ILE  14  -1.501  -5.910   8.286
  102   HG23  ILE  14          HG23      ILE  14  -0.517  -4.447   8.203
  103   HD11  ILE  14          HD11      ILE  14  -1.480  -3.896  12.168
  104   HD12  ILE  14          HD12      ILE  14   0.022  -3.952  11.200
  105   HD13  ILE  14          HD13      ILE  14  -0.519  -2.434  11.919
  106    H    GLU  15           H        GLU  15  -3.393  -5.609   6.388
  107    HA   GLU  15           HA       GLU  15  -5.646  -7.289   7.387
  108    HB2  GLU  15           HB2      GLU  15  -4.150  -7.278   4.729
  109    HB3  GLU  15           HB3      GLU  15  -5.438  -8.405   5.178
  110    HG2  GLU  15           HG2      GLU  15  -7.003  -6.511   5.454
  111    HG3  GLU  15           HG3      GLU  15  -5.730  -5.397   4.921
  112    H    ILE  16           H        ILE  16  -5.062  -8.918   8.668
  113    HA   ILE  16           HA       ILE  16  -2.313 -10.124   8.502
  114    HB   ILE  16           HB       ILE  16  -4.317 -10.492  10.762
  115   HG12  ILE  16          HG12      ILE  16  -4.058  -8.121  10.767
  116   HG13  ILE  16          HG13      ILE  16  -3.206  -8.831  12.120
  117   HG21  ILE  16          HG21      ILE  16  -2.533 -12.130  10.656
  118   HG22  ILE  16          HG22      ILE  16  -1.303 -10.856  10.542
  119   HG23  ILE  16          HG23      ILE  16  -2.244 -11.061  12.030
  120   HD11  ILE  16          HD11      ILE  16  -1.940  -7.762   9.584
  121   HD12  ILE  16          HD12      ILE  16  -1.904  -7.018  11.190
  122   HD13  ILE  16          HD13      ILE  16  -1.036  -8.529  10.906
  123    H    PHE  17           H        PHE  17  -2.300 -11.964   7.251
  124    HA   PHE  17           HA       PHE  17  -4.720 -13.646   7.102
  125    HB2  PHE  17           HB2      PHE  17  -3.374 -13.243   5.077
  126    HB3  PHE  17           HB3      PHE  17  -1.999 -14.055   5.832
  127    HD1  PHE  17           HD2      PHE  17  -5.690 -14.723   5.258
  128    HD2  PHE  17           HD1      PHE  17  -1.672 -16.293   5.178
  129    HE1  PHE  17           HE2      PHE  17  -6.560 -16.911   4.487
  130    HE2  PHE  17           HE1      PHE  17  -2.545 -18.471   4.374
  131    HZ   PHE  17           HZ       PHE  17  -4.994 -18.788   4.036
  132    H    ARG  18           H        ARG  18  -4.718 -13.905   9.452
  133    HA   ARG  18           HA       ARG  18  -2.666 -15.358  10.778
  134    HB2  ARG  18           HB2      ARG  18  -4.949 -13.919  11.531
  135    HB3  ARG  18           HB3      ARG  18  -5.252 -15.540  12.155
  136    HG2  ARG  18           HG2      ARG  18  -2.752 -13.847  12.609
  137    HG3  ARG  18           HG3      ARG  18  -4.090 -14.018  13.750
  138    HD2  ARG  18           HD2      ARG  18  -3.605 -16.436  13.961
  139    HD3  ARG  18           HD3      ARG  18  -2.227 -16.258  12.849
  140    HE   ARG  18           HE       ARG  18  -1.866 -14.343  14.856
  141   HH11  ARG  18          HH11      ARG  18  -1.879 -17.871  14.685
  142   HH12  ARG  18          HH12      ARG  18  -0.871 -18.048  16.089
  143   HH21  ARG  18          HH21      ARG  18  -0.572 -14.627  16.716
  144   HH22  ARG  18          HH22      ARG  18  -0.147 -16.233  17.212
  145    H    LEU  19           H        LEU  19  -4.545 -16.581   8.527
  146    HA   LEU  19           HA       LEU  19  -4.045 -18.453   7.445
  147    HB2  LEU  19           HB2      LEU  19  -3.484 -19.836  10.087
  148    HB3  LEU  19           HB3      LEU  19  -3.254 -20.537   8.499
  149    HG   LEU  19           HG       LEU  19  -1.838 -17.978   9.341
  150   HD11  LEU  19          HD11      LEU  19  -1.231 -19.757  10.934
  151   HD12  LEU  19          HD12      LEU  19  -0.847 -20.858   9.591
  152   HD13  LEU  19          HD13      LEU  19   0.132 -19.399   9.861
  153   HD21  LEU  19          HD21      LEU  19  -1.229 -20.011   7.151
  154   HD22  LEU  19          HD22      LEU  19  -1.858 -18.364   6.928
  155   HD23  LEU  19          HD23      LEU  19  -0.232 -18.603   7.567
  156    H    GLY  20           H        GLY  20  -5.509 -19.641   6.462
  157    HA2  GLY  20           HA2      GLY  20  -7.540 -20.667   6.006
  158    HA3  GLY  20           HA3      GLY  20  -7.838 -20.851   7.751
  159    H    TYR  21           H        TYR  21  -7.119 -17.691   7.416
  160    HA   TYR  21           HA       TYR  21  -9.526 -16.437   6.490
  161    HB2  TYR  21           HB2      TYR  21 -10.366 -17.609   8.563
  162    HB3  TYR  21           HB3      TYR  21  -9.144 -16.748   9.493
  163    HD1  TYR  21           HD1      TYR  21 -11.760 -15.852   6.892
  164    HD2  TYR  21           HD2      TYR  21 -10.062 -15.004  10.765
  165    HE1  TYR  21           HE1      TYR  21 -13.317 -13.933   7.157
  166    HE2  TYR  21           HE2      TYR  21 -11.625 -13.099  11.043
  167    HH   TYR  21           HH       TYR  21 -13.319 -11.867  10.082
  168    H    GLU  22           H        GLU  22  -9.521 -14.082   7.043
  169    HA   GLU  22           HA       GLU  22  -6.803 -13.013   7.619
  170    HB2  GLU  22           HB2      GLU  22  -7.339 -13.161   5.168
  171    HB3  GLU  22           HB3      GLU  22  -8.680 -12.041   5.434
  172    HG2  GLU  22           HG2      GLU  22  -7.160 -10.261   6.041
  173    HG3  GLU  22           HG3      GLU  22  -5.805 -11.389   6.195
  174    H    HIS  23           H        HIS  23  -6.775 -11.434   9.082
  175    HA   HIS  23           HA       HIS  23  -9.374 -10.320  10.110
  176    HB2  HIS  23           HB2      HIS  23  -6.660 -10.658  11.462
  177    HB3  HIS  23           HB3      HIS  23  -8.078  -9.943  12.202
  178    HD1  HIS  23           HD1      HIS  23  -9.410 -11.574  13.686
  179    HD2  HIS  23           HD2      HIS  23  -7.022 -13.429  10.754
  180    HE1  HIS  23           HE1      HIS  23  -9.421 -14.080  14.205
  181    H    TRP  24           H        TRP  24  -9.497  -8.078  10.637
  182    HA   TRP  24           HA       TRP  24  -7.446  -6.299   9.418
  183    HB2  TRP  24           HB2      TRP  24 -10.146  -5.767  10.720
  184    HB3  TRP  24           HB3      TRP  24  -9.012  -4.517  10.248
  185    HD1  TRP  24           HD1      TRP  24 -11.917  -6.206   9.012
  186    HE1  TRP  24           HE1      TRP  24 -12.315  -5.786   6.531
  187    HE3  TRP  24           HE3      TRP  24  -7.332  -4.292   7.805
  188    HZ2  TRP  24           HZ2      TRP  24 -10.900  -4.533   4.333
  189    HZ3  TRP  24           HZ3      TRP  24  -6.931  -3.374   5.539
  190    HH2  TRP  24           HH2      TRP  24  -8.692  -3.496   3.795
  191    H    ALA  25           H        ALA  25  -6.081  -5.037  10.592
  192    HA   ALA  25           HA       ALA  25  -6.611  -4.632  13.488
  193    HB1  ALA  25           HB1      ALA  25  -4.914  -6.436  13.279
  194    HB2  ALA  25           HB2      ALA  25  -3.917  -5.388  12.255
  195    HB3  ALA  25           HB3      ALA  25  -4.185  -4.966  13.954
  196    H    LEU  26           H        LEU  26  -6.334  -2.606  14.211
  197    HA   LEU  26           HA       LEU  26  -5.410  -0.471  12.348
  198    HB2  LEU  26           HB2      LEU  26  -7.678  -0.477  13.604
  199    HB3  LEU  26           HB3      LEU  26  -6.762  -0.245  15.074
  200    HG   LEU  26           HG       LEU  26  -7.642   1.835  14.424
  201   HD11  LEU  26          HD11      LEU  26  -5.816   3.321  14.258
  202   HD12  LEU  26          HD12      LEU  26  -5.234   1.928  15.183
  203   HD13  LEU  26          HD13      LEU  26  -4.783   2.118  13.471
  204   HD21  LEU  26          HD21      LEU  26  -8.110   1.303  12.069
  205   HD22  LEU  26          HD22      LEU  26  -7.330   2.881  12.232
  206   HD23  LEU  26          HD23      LEU  26  -6.377   1.504  11.680
  207    H    TYR  27           H        TYR  27  -3.272   0.097  12.556
  208    HA   TYR  27           HA       TYR  27  -1.689  -0.604  14.895
  209    HB2  TYR  27           HB2      TYR  27  -1.043  -0.336  12.391
  210    HB3  TYR  27           HB3      TYR  27  -0.932   1.360  12.733
  211    HD1  TYR  27           HD1      TYR  27   0.278  -1.922  14.189
  212    HD2  TYR  27           HD2      TYR  27   1.266   2.137  13.150
  213    HE1  TYR  27           HE1      TYR  27   2.675  -2.368  14.675
  214    HE2  TYR  27           HE2      TYR  27   3.649   1.694  13.591
  215    HH   TYR  27           HH       TYR  27   5.211   0.126  14.201
  216    H    ILE  28           H        ILE  28  -2.433   0.324  16.768
  217    HA   ILE  28           HA       ILE  28  -3.064   3.224  16.895
  218    HB   ILE  28           HB       ILE  28  -3.586   2.788  19.284
  219   HG12  ILE  28          HG12      ILE  28  -3.408  -0.187  18.728
  220   HG13  ILE  28          HG13      ILE  28  -2.048   0.694  19.431
  221   HG21  ILE  28          HG21      ILE  28  -5.707   1.752  18.840
  222   HG22  ILE  28          HG22      ILE  28  -5.268   2.736  17.448
  223   HG23  ILE  28          HG23      ILE  28  -5.091   0.967  17.366
  224   HD11  ILE  28          HD11      ILE  28  -3.452  -0.380  21.149
  225   HD12  ILE  28          HD12      ILE  28  -3.375   1.382  21.347
  226   HD13  ILE  28          HD13      ILE  28  -4.830   0.623  20.667
  227    H    GLY  29           H        GLY  29  -0.277   1.265  17.600
  228    HA2  GLY  29           HA2      GLY  29   1.228   3.694  18.332
  229    HA3  GLY  29           HA3      GLY  29   1.197   2.401  19.541
  230    H    ASP  30           H        ASP  30   3.620   3.009  18.587
  231    HA   ASP  30           HA       ASP  30   4.347   1.496  16.250
  232    HB2  ASP  30           HB2      ASP  30   5.635   3.426  17.020
  233    HB3  ASP  30           HB3      ASP  30   6.072   2.575  18.507
  234    H    GLY  31           H        GLY  31   3.558  -0.526  16.454
  235    HA2  GLY  31           HA2      GLY  31   4.146  -2.813  16.712
  236    HA3  GLY  31           HA3      GLY  31   4.864  -2.467  18.312
  237    H    TYR  32           H        TYR  32   1.920  -0.843  18.127
  238    HA   TYR  32           HA       TYR  32   0.515  -3.085  19.549
  239    HB2  TYR  32           HB2      TYR  32   0.534  -0.104  20.122
  240    HB3  TYR  32           HB3      TYR  32  -0.578  -1.249  20.866
  241    HD1  TYR  32           HD1      TYR  32   0.241  -3.068  22.357
  242    HD2  TYR  32           HD2      TYR  32   2.870  -0.002  20.834
  243    HE1  TYR  32           HE1      TYR  32   1.918  -3.646  24.100
  244    HE2  TYR  32           HE2      TYR  32   4.558  -0.586  22.573
  245    HH   TYR  32           HH       TYR  32   3.983  -3.181  24.981
  246    H    VAL  33           H        VAL  33  -1.617  -3.491  19.161
  247    HA   VAL  33           HA       VAL  33  -2.938  -1.957  16.979
  248    HB   VAL  33           HB       VAL  33  -3.600  -4.184  15.962
  249   HG11  VAL  33          HG11      VAL  33  -0.659  -3.451  15.843
  250   HG12  VAL  33          HG12      VAL  33  -1.554  -4.437  14.665
  251   HG13  VAL  33          HG13      VAL  33  -1.982  -2.743  14.878
  252   HG21  VAL  33          HG21      VAL  33  -1.249  -5.314  17.534
  253   HG22  VAL  33          HG22      VAL  33  -2.954  -5.719  17.823
  254   HG23  VAL  33          HG23      VAL  33  -2.185  -6.134  16.287
  255    H    ILE  34           H        ILE  34  -5.081  -2.170  16.693
  256    HA   ILE  34           HA       ILE  34  -6.693  -3.584  18.815
  257    HB   ILE  34           HB       ILE  34  -7.366  -1.151  17.118
  258   HG12  ILE  34          HG12      ILE  34  -5.910  -0.662  19.055
  259   HG13  ILE  34          HG13      ILE  34  -7.477   0.122  19.154
  260   HG21  ILE  34          HG21      ILE  34  -9.129  -2.765  19.000
  261   HG22  ILE  34          HG22      ILE  34  -9.531  -1.125  18.436
  262   HG23  ILE  34          HG23      ILE  34  -9.381  -2.446  17.273
  263   HD11  ILE  34          HD11      ILE  34  -6.808  -0.678  21.334
  264   HD12  ILE  34          HD12      ILE  34  -8.222  -1.590  20.792
  265   HD13  ILE  34          HD13      ILE  34  -6.606  -2.325  20.703
  266    H    HIS  35           H        HIS  35  -7.938  -5.289  18.013
  267    HA   HIS  35           HA       HIS  35  -8.271  -5.562  15.072
  268    HB2  HIS  35           HB2      HIS  35  -7.075  -7.688  15.033
  269    HB3  HIS  35           HB3      HIS  35  -6.008  -6.418  15.620
  270    HD1  HIS  35           HD1      HIS  35  -7.371  -9.767  16.653
  271    HD2  HIS  35           HD2      HIS  35  -5.616  -6.374  18.426
  272    HE1  HIS  35           HE1      HIS  35  -6.630 -10.475  18.987
  273    H    LEU  36           H        LEU  36  -9.650  -7.346  14.413
  274    HA   LEU  36           HA       LEU  36 -11.796  -7.791  16.419
  275    HB2  LEU  36           HB2      LEU  36 -12.218  -6.619  14.298
  276    HB3  LEU  36           HB3      LEU  36 -11.745  -8.030  13.374
  277    HG   LEU  36           HG       LEU  36 -14.195  -7.535  13.535
  278   HD11  LEU  36          HD11      LEU  36 -13.548 -10.279  14.647
  279   HD12  LEU  36          HD12      LEU  36 -14.960  -9.795  13.697
  280   HD13  LEU  36          HD13      LEU  36 -13.351  -9.805  12.952
  281   HD21  LEU  36          HD21      LEU  36 -14.248  -6.838  15.927
  282   HD22  LEU  36          HD22      LEU  36 -15.489  -8.031  15.503
  283   HD23  LEU  36          HD23      LEU  36 -14.042  -8.539  16.399
  284    H    ALA  37           H        ALA  37 -11.941  -9.632  17.440
  285    HA   ALA  37           HA       ALA  37 -10.872 -12.177  16.320
  286    HB1  ALA  37           HB1      ALA  37 -12.025 -11.444  19.050
  287    HB2  ALA  37           HB2      ALA  37 -11.363 -13.027  18.601
  288    HB3  ALA  37           HB3      ALA  37 -10.304 -11.599  18.637
  289    HA   PRO  38           HA       PRO  38 -15.052 -12.443  14.741
  290    HB2  PRO  38           HB2      PRO  38 -14.942 -14.814  13.346
  291    HB3  PRO  38           HB3      PRO  38 -14.055 -13.341  12.847
  292    HG2  PRO  38           HG2      PRO  38 -13.017 -15.687  14.485
  293    HG3  PRO  38           HG3      PRO  38 -12.282 -14.947  13.021
  294    HD2  PRO  38           HD2      PRO  38 -11.481 -14.240  15.516
  295    HD3  PRO  38           HD3      PRO  38 -11.623 -13.020  14.207
  296    HA   PRO  39           HA       PRO  39 -17.743 -15.009  17.250
  297    HB2  PRO  39           HB2      PRO  39 -19.042 -16.061  14.748
  298    HB3  PRO  39           HB3      PRO  39 -19.806 -15.284  16.159
  299    HG2  PRO  39           HG2      PRO  39 -19.496 -13.923  13.840
  300    HG3  PRO  39           HG3      PRO  39 -19.165 -13.112  15.408
  301    HD2  PRO  39           HD2      PRO  39 -17.191 -14.425  13.511
  302    HD3  PRO  39           HD3      PRO  39 -17.107 -12.796  14.241
  303    H    SER  40           H        SER  40 -18.439 -17.317  17.700
  304    HA   SER  40           HA       SER  40 -17.083 -19.468  16.268
  305    HB2  SER  40           HB2      SER  40 -15.269 -18.329  17.682
  306    HB3  SER  40           HB3      SER  40 -16.121 -18.976  19.096
  307    HG   SER  40           HG       SER  40 -14.440 -20.366  18.305
  308    H    GLU  41           H        GLU  41 -17.164 -21.529  17.549
  309    HA   GLU  41           HA       GLU  41 -18.177 -23.208  18.650
  310    HB2  GLU  41           HB2      GLU  41 -20.544 -21.472  19.426
  311    HB3  GLU  41           HB3      GLU  41 -20.220 -23.107  19.931
  312    HG2  GLU  41           HG2      GLU  41 -18.638 -20.636  20.696
  313    HG3  GLU  41           HG3      GLU  41 -19.618 -21.665  21.733
  314    H    TYR  42           H        TYR  42 -19.790 -24.805  18.222
  315    HA   TYR  42           HA       TYR  42 -20.545 -24.837  15.447
  316    HB2  TYR  42           HB2      TYR  42 -19.707 -26.812  16.514
  317    HB3  TYR  42           HB3      TYR  42 -20.955 -26.751  17.751
  318    HD1  TYR  42           HD2      TYR  42 -20.672 -26.916  13.987
  319    HD2  TYR  42           HD1      TYR  42 -22.778 -28.185  17.529
  320    HE1  TYR  42           HE2      TYR  42 -22.149 -28.345  12.591
  321    HE2  TYR  42           HE1      TYR  42 -24.255 -29.623  16.138
  322    HH   TYR  42           HH       TYR  42 -23.907 -29.812  12.573
  323    HA   PRO  43           HA       PRO  43 -24.676 -23.084  16.207
  324    HB2  PRO  43           HB2      PRO  43 -25.690 -23.212  13.665
  325    HB3  PRO  43           HB3      PRO  43 -24.499 -21.982  14.190
  326    HG2  PRO  43           HG2      PRO  43 -23.955 -24.598  12.751
  327    HG3  PRO  43           HG3      PRO  43 -23.338 -22.963  12.346
  328    HD2  PRO  43           HD2      PRO  43 -21.855 -24.722  13.766
  329    HD3  PRO  43           HD3      PRO  43 -21.839 -22.973  14.169
  330    H    GLY  44           H        GLY  44 -26.683 -23.945  16.617
  331    HA2  GLY  44           HA2      GLY  44 -28.319 -25.608  16.860
  332    HA3  GLY  44           HA3      GLY  44 -27.316 -26.746  15.922
  333    H    ALA  45           H        ALA  45 -24.988 -25.990  17.728
  334    HA   ALA  45           HA       ALA  45 -23.861 -27.064  19.398
  335    HB1  ALA  45           HB1      ALA  45 -24.637 -26.385  21.597
  336    HB2  ALA  45           HB2      ALA  45 -24.949 -25.103  20.435
  337    HB3  ALA  45           HB3      ALA  45 -26.291 -26.127  20.976
  338    H    GLY  46           H        GLY  46 -25.752 -28.201  21.733
  339    HA2  GLY  46           HA2      GLY  46 -26.616 -30.220  22.406
  340    HA3  GLY  46           HA3      GLY  46 -26.954 -30.565  20.693
  341    H    SER  47           H        SER  47 -23.610 -30.035  21.383
  342    HA   SER  47           HA       SER  47 -23.059 -32.947  20.971
  343    HB2  SER  47           HB2      SER  47 -21.006 -32.223  19.950
  344    HB3  SER  47           HB3      SER  47 -22.323 -31.288  19.237
  345    HG   SER  47           HG       SER  47 -20.363 -30.090  19.944
  346    H    SER  48           H        SER  48 -20.813 -33.642  21.851
  347    HA   SER  48           HA       SER  48 -20.538 -33.079  24.687
  348    HB2  SER  48           HB2      SER  48 -18.469 -34.459  24.439
  349    HB3  SER  48           HB3      SER  48 -19.942 -35.243  23.844
  350    HG   SER  48           HG       SER  48 -18.169 -35.472  22.390
  351    H    SER  49           H        SER  49 -19.236 -31.579  21.769
  352    HA   SER  49           HA       SER  49 -17.097 -30.154  23.184
  353    HB2  SER  49           HB2      SER  49 -16.766 -29.034  21.013
  354    HB3  SER  49           HB3      SER  49 -16.717 -30.799  20.909
  355    HG   SER  49           HG       SER  49 -17.934 -29.839  19.213
  356    H    VAL  50           H        VAL  50 -20.453 -29.395  22.223
  357    HA   VAL  50           HA       VAL  50 -20.492 -27.191  24.098
  358    HB   VAL  50           HB       VAL  50 -19.433 -26.015  22.236
  359   HG11  VAL  50          HG11      VAL  50 -20.367 -27.322  20.318
  360   HG12  VAL  50          HG12      VAL  50 -21.933 -26.529  20.577
  361   HG13  VAL  50          HG13      VAL  50 -20.517 -25.571  20.123
  362   HG21  VAL  50          HG21      VAL  50 -22.298 -25.083  22.636
  363   HG22  VAL  50          HG22      VAL  50 -20.955 -24.806  23.765
  364   HG23  VAL  50          HG23      VAL  50 -20.911 -24.095  22.144
  365    H    PHE  51           H        PHE  51 -22.385 -26.943  24.958
  366    HA   PHE  51           HA       PHE  51 -24.892 -27.727  23.528
  367    HB2  PHE  51           HB2      PHE  51 -25.614 -28.933  25.541
  368    HB3  PHE  51           HB3      PHE  51 -24.170 -29.635  24.836
  369    HD1  PHE  51           HD2      PHE  51 -25.510 -27.702  27.709
  370    HD2  PHE  51           HD1      PHE  51 -22.034 -29.621  26.020
  371    HE1  PHE  51           HE2      PHE  51 -24.333 -27.508  29.894
  372    HE2  PHE  51           HE1      PHE  51 -20.867 -29.430  28.205
  373    HZ   PHE  51           HZ       PHE  51 -22.015 -28.367  30.140
  374    H    SER  52           H        SER  52 -23.324 -25.481  25.719
  375    HA   SER  52           HA       SER  52 -25.751 -24.498  26.961
  376    HB2  SER  52           HB2      SER  52 -24.154 -22.795  27.887
  377    HB3  SER  52           HB3      SER  52 -23.681 -24.477  28.166
  378    HG   SER  52           HG       SER  52 -21.924 -23.169  27.422
  379    H    VAL  53           H        VAL  53 -23.867 -23.450  24.158
  380    HA   VAL  53           HA       VAL  53 -25.912 -21.407  23.474
  381    HB   VAL  53           HB       VAL  53 -24.195 -19.735  22.886
  382   HG11  VAL  53          HG11      VAL  53 -24.092 -20.418  25.842
  383   HG12  VAL  53          HG12      VAL  53 -23.808 -18.836  25.091
  384   HG13  VAL  53          HG13      VAL  53 -25.421 -19.558  25.026
  385   HG21  VAL  53          HG21      VAL  53 -22.173 -21.115  22.663
  386   HG22  VAL  53          HG22      VAL  53 -21.930 -19.822  23.839
  387   HG23  VAL  53          HG23      VAL  53 -22.205 -21.474  24.408
  388    H    LEU  54           H        LEU  54 -26.055 -20.876  21.281
  389    HA   LEU  54           HA       LEU  54 -25.097 -22.952  19.445
  390    HB2  LEU  54           HB2      LEU  54 -26.624 -20.393  18.807
  391    HB3  LEU  54           HB3      LEU  54 -26.499 -21.843  17.816
  392    HG   LEU  54           HG       LEU  54 -28.039 -21.527  20.432
  393   HD11  LEU  54          HD11      LEU  54 -29.997 -21.961  19.015
  394   HD12  LEU  54          HD12      LEU  54 -29.093 -20.562  18.414
  395   HD13  LEU  54          HD13      LEU  54 -28.950 -22.127  17.588
  396   HD21  LEU  54          HD21      LEU  54 -27.104 -23.790  20.427
  397   HD22  LEU  54          HD22      LEU  54 -28.834 -23.859  20.071
  398   HD23  LEU  54          HD23      LEU  54 -27.650 -24.037  18.757
  399    H    SER  55           H        SER  55 -24.266 -19.575  20.105
  400    HA   SER  55           HA       SER  55 -21.762 -19.747  18.628
  401    HB2  SER  55           HB2      SER  55 -23.314 -19.407  16.757
  402    HB3  SER  55           HB3      SER  55 -23.989 -17.976  17.558
  403    HG   SER  55           HG       SER  55 -22.331 -17.557  15.933
  404    H    ASN  56           H        ASN  56 -20.333 -18.502  19.687
  405    HA   ASN  56           HA       ASN  56 -21.214 -16.370  21.560
  406    HB2  ASN  56           HB2      ASN  56 -18.529 -17.692  21.011
  407    HB3  ASN  56           HB3      ASN  56 -18.699 -16.242  21.990
  408   HD21  ASN  56          HD22      ASN  56 -20.338 -16.391  23.894
  409   HD22  ASN  56          HD21      ASN  56 -20.351 -17.923  24.742
  410    H    SER  57           H        SER  57 -20.608 -14.212  21.326
  411    HA   SER  57           HA       SER  57 -20.586 -13.220  18.656
  412    HB2  SER  57           HB2      SER  57 -19.970 -11.718  21.233
  413    HB3  SER  57           HB3      SER  57 -20.572 -11.021  19.722
  414    HG   SER  57           HG       SER  57 -22.224 -11.375  21.333
  415    H    ALA  58           H        ALA  58 -19.143 -11.581  17.764
  416    HA   ALA  58           HA       ALA  58 -16.290 -12.191  17.867
  417    HB1  ALA  58           HB1      ALA  58 -16.161 -10.388  16.207
  418    HB2  ALA  58           HB2      ALA  58 -17.565 -11.384  15.799
  419    HB3  ALA  58           HB3      ALA  58 -17.793  -9.833  16.611
  420    H    GLU  59           H        GLU  59 -14.696 -10.493  18.471
  421    HA   GLU  59           HA       GLU  59 -15.660  -8.404  20.344
  422    HB2  GLU  59           HB2      GLU  59 -15.196 -10.422  21.717
  423    HB3  GLU  59           HB3      GLU  59 -13.536 -10.456  21.095
  424    HG2  GLU  59           HG2      GLU  59 -13.061  -8.294  22.147
  425    HG3  GLU  59           HG3      GLU  59 -14.755  -8.106  22.608
  426    H    VAL  60           H        VAL  60 -14.561  -6.556  20.213
  427    HA   VAL  60           HA       VAL  60 -12.166  -6.305  18.478
  428    HB   VAL  60           HB       VAL  60 -13.655  -4.225  20.133
  429   HG11  VAL  60          HG11      VAL  60 -12.414  -2.581  18.724
  430   HG12  VAL  60          HG12      VAL  60 -11.316  -3.547  19.703
  431   HG13  VAL  60          HG13      VAL  60 -11.508  -3.916  17.978
  432   HG21  VAL  60          HG21      VAL  60 -15.090  -5.084  18.322
  433   HG22  VAL  60          HG22      VAL  60 -14.558  -3.435  17.963
  434   HG23  VAL  60          HG23      VAL  60 -13.784  -4.810  17.145
  435    H    LYS  61           H        LYS  61 -10.182  -6.590  19.291
  436    HA   LYS  61           HA       LYS  61  -9.704  -6.425  22.257
  437    HB2  LYS  61           HB2      LYS  61  -8.677  -8.421  20.180
  438    HB3  LYS  61           HB3      LYS  61  -8.146  -8.351  21.870
  439    HG2  LYS  61           HG2      LYS  61 -10.559  -8.736  22.568
  440    HG3  LYS  61           HG3      LYS  61 -10.978  -8.913  20.861
  441    HD2  LYS  61           HD2      LYS  61 -10.772 -11.096  21.725
  442    HD3  LYS  61           HD3      LYS  61  -9.337 -10.830  20.717
  443    HE2  LYS  61           HE2      LYS  61  -7.984 -10.365  22.741
  444    HE3  LYS  61           HE3      LYS  61  -9.423 -10.509  23.756
  445    HZ1  LYS  61           HZ1      LYS  61  -8.123 -12.556  23.763
  446    HZ2  LYS  61           HZ2      LYS  61  -9.579 -12.844  23.095
  447    HZ3  LYS  61           HZ3      LYS  61  -8.251 -12.719  22.139
  448    H    ARG  62           H        ARG  62  -7.535  -6.009  22.953
  449    HA   ARG  62           HA       ARG  62  -5.863  -4.387  21.074
  450    HB2  ARG  62           HB2      ARG  62  -6.875  -3.107  22.927
  451    HB3  ARG  62           HB3      ARG  62  -6.116  -4.182  24.110
  452    HG2  ARG  62           HG2      ARG  62  -3.884  -3.453  23.393
  453    HG3  ARG  62           HG3      ARG  62  -4.580  -2.498  22.072
  454    HD2  ARG  62           HD2      ARG  62  -5.723  -1.046  23.705
  455    HD3  ARG  62           HD3      ARG  62  -5.080  -2.018  25.043
  456    HE   ARG  62           HE       ARG  62  -2.845  -1.255  23.579
  457   HH11  ARG  62          HH11      ARG  62  -5.346   0.472  25.392
  458   HH12  ARG  62          HH12      ARG  62  -4.299   1.815  25.740
  459   HH21  ARG  62          HH21      ARG  62  -1.543   0.522  24.060
  460   HH22  ARG  62          HH22      ARG  62  -2.177   1.835  25.000
  461    H    GLU  63           H        GLU  63  -3.735  -4.911  20.823
  462    HA   GLU  63           HA       GLU  63  -2.304  -6.810  22.507
  463    HB2  GLU  63           HB2      GLU  63  -4.029  -8.215  21.311
  464    HB3  GLU  63           HB3      GLU  63  -3.336  -7.693  19.785
  465    HG2  GLU  63           HG2      GLU  63  -2.732  -9.984  20.520
  466    HG3  GLU  63           HG3      GLU  63  -1.354  -8.958  20.171
  467    H    ARG  64           H        ARG  64  -0.239  -7.529  21.352
  468    HA   ARG  64           HA       ARG  64   1.080  -5.274  19.970
  469    HB2  ARG  64           HB2      ARG  64   2.083  -8.006  20.860
  470    HB3  ARG  64           HB3      ARG  64   3.101  -6.732  20.203
  471    HG2  ARG  64           HG2      ARG  64   3.045  -5.431  22.102
  472    HG3  ARG  64           HG3      ARG  64   1.456  -5.991  22.618
  473    HD2  ARG  64           HD2      ARG  64   3.977  -7.695  22.733
  474    HD3  ARG  64           HD3      ARG  64   3.271  -6.809  24.102
  475    HE   ARG  64           HE       ARG  64   1.149  -8.306  23.127
  476   HH11  ARG  64          HH21      ARG  64   4.317  -9.296  24.389
  477   HH12  ARG  64          HH22      ARG  64   3.717 -10.880  24.783
  478   HH21  ARG  64          HH11      ARG  64   0.493 -10.173  23.563
  479   HH22  ARG  64          HH12      ARG  64   1.497 -11.419  24.311
  480    H    LEU  65           H        LEU  65   1.747  -5.330  17.800
  481    HA   LEU  65           HA       LEU  65   0.263  -6.883  15.950
  482    HB2  LEU  65           HB2      LEU  65   1.302  -4.734  15.385
  483    HB3  LEU  65           HB3      LEU  65   2.914  -5.412  15.593
  484    HG   LEU  65           HG       LEU  65   2.540  -6.931  13.654
  485   HD11  LEU  65          HD11      LEU  65   0.598  -6.612  12.159
  486   HD12  LEU  65          HD12      LEU  65   0.051  -7.161  13.751
  487   HD13  LEU  65          HD13      LEU  65  -0.105  -5.455  13.304
  488   HD21  LEU  65          HD21      LEU  65   3.561  -4.714  13.327
  489   HD22  LEU  65          HD22      LEU  65   2.616  -5.213  11.913
  490   HD23  LEU  65          HD23      LEU  65   1.948  -4.013  13.033
  491    H    GLU  66           H        GLU  66   3.689  -7.399  16.966
  492    HA   GLU  66           HA       GLU  66   4.149  -9.714  15.465
  493    HB2  GLU  66           HB2      GLU  66   5.981 -10.183  16.962
  494    HB3  GLU  66           HB3      GLU  66   5.893  -8.460  16.622
  495    HG2  GLU  66           HG2      GLU  66   4.798  -8.101  18.854
  496    HG3  GLU  66           HG3      GLU  66   4.948  -9.832  19.182
  497    H    ASP  67           H        ASP  67   2.220  -9.499  18.432
  498    HA   ASP  67           HA       ASP  67   2.163 -12.428  18.819
  499    HB2  ASP  67           HB2      ASP  67   2.143 -10.829  20.728
  500    HB3  ASP  67           HB3      ASP  67   0.592 -10.209  20.177
  501    H    VAL  68           H        VAL  68  -0.065  -9.832  17.716
  502    HA   VAL  68           HA       VAL  68  -2.203 -11.528  16.898
  503    HB   VAL  68           HB       VAL  68  -1.358  -8.903  15.635
  504   HG11  VAL  68          HG11      VAL  68  -3.723  -8.778  14.838
  505   HG12  VAL  68          HG12      VAL  68  -2.845 -10.113  14.091
  506   HG13  VAL  68          HG13      VAL  68  -3.992 -10.443  15.404
  507   HG21  VAL  68          HG21      VAL  68  -3.335  -9.611  17.845
  508   HG22  VAL  68          HG22      VAL  68  -1.894  -8.576  17.963
  509   HG23  VAL  68          HG23      VAL  68  -3.295  -8.037  17.035
  510    H    VAL  69           H        VAL  69   0.774 -10.652  15.207
  511    HA   VAL  69           HA       VAL  69   0.019 -12.037  12.768
  512    HB   VAL  69           HB       VAL  69   2.577 -10.736  13.741
  513   HG11  VAL  69          HG11      VAL  69   3.367 -10.842  11.380
  514   HG12  VAL  69          HG12      VAL  69   3.289 -12.432  12.129
  515   HG13  VAL  69          HG13      VAL  69   2.005 -11.928  11.002
  516   HG21  VAL  69          HG21      VAL  69   0.462  -9.368  13.187
  517   HG22  VAL  69          HG22      VAL  69   1.922  -8.948  12.261
  518   HG23  VAL  69          HG23      VAL  69   0.643  -9.937  11.529
  519    H    GLY  70           H        GLY  70   2.456 -12.849  15.382
  520    HA2  GLY  70           HA2      GLY  70   3.304 -14.886  16.005
  521    HA3  GLY  70           HA3      GLY  70   1.852 -15.613  15.288
  522    H    GLY  71           H        GLY  71   4.138 -13.826  13.300
  523    HA2  GLY  71           HA2      GLY  71   5.765 -14.584  11.784
  524    HA3  GLY  71           HA3      GLY  71   5.343 -16.274  12.133
  525    H    CYS  72           H        CYS  72   2.452 -14.675  11.513
  526    HA   CYS  72           HA       CYS  72   2.133 -15.857   8.883
  527    HB2  CYS  72           HB2      CYS  72   0.346 -13.936  10.469
  528    HB3  CYS  72           HB3      CYS  72  -0.117 -14.790   8.999
  529    HG   CYS  72           HG       CYS  72   0.674 -15.965  11.981
  530    H    CYS  73           H        CYS  73   1.146 -14.578   7.060
  531    HA   CYS  73           HA       CYS  73   2.856 -12.323   6.273
  532    HB2  CYS  73           HB2      CYS  73   0.491 -13.664   4.866
  533    HB3  CYS  73           HB3      CYS  73   1.596 -12.489   4.143
  534    HG   CYS  73           HG       CYS  73   3.803 -13.904   4.491
  535    H    TYR  74           H        TYR  74   2.174 -10.221   5.791
  536    HA   TYR  74           HA       TYR  74  -0.551  -9.388   6.126
  537    HB2  TYR  74           HB2      TYR  74  -0.390  -7.935   7.980
  538    HB3  TYR  74           HB3      TYR  74   0.152  -9.504   8.519
  539    HD1  TYR  74           HD1      TYR  74   1.194  -6.042   7.650
  540    HD2  TYR  74           HD2      TYR  74   2.415  -9.798   9.378
  541    HE1  TYR  74           HE1      TYR  74   3.142  -4.913   8.692
  542    HE2  TYR  74           HE2      TYR  74   4.381  -8.677  10.417
  543    HH   TYR  74           HH       TYR  74   5.493  -6.694  10.727
  544    H    ARG  75           H        ARG  75  -1.026  -7.245   5.550
  545    HA   ARG  75           HA       ARG  75   1.088  -5.411   4.592
  546    HB2  ARG  75           HB2      ARG  75  -1.077  -6.598   2.781
  547    HB3  ARG  75           HB3      ARG  75  -0.227  -5.114   2.379
  548    HG2  ARG  75           HG2      ARG  75   1.086  -7.845   2.691
  549    HG3  ARG  75           HG3      ARG  75   0.659  -7.058   1.179
  550    HD2  ARG  75           HD2      ARG  75   2.186  -5.197   1.663
  551    HD3  ARG  75           HD3      ARG  75   2.662  -5.956   3.193
  552    HE   ARG  75           HE       ARG  75   3.179  -7.942   1.415
  553   HH11  ARG  75          HH21      ARG  75   4.199  -4.527   1.367
  554   HH12  ARG  75          HH22      ARG  75   5.704  -4.922   0.592
  555   HH21  ARG  75          HH11      ARG  75   5.158  -8.318   0.374
  556   HH22  ARG  75          HH12      ARG  75   6.220  -6.973   0.037
  557    H    VAL  76           H        VAL  76   0.224  -3.208   4.192
  558    HA   VAL  76           HA       VAL  76  -2.274  -2.668   5.717
  559    HB   VAL  76           HB       VAL  76  -0.203  -0.728   4.667
  560   HG11  VAL  76          HG11      VAL  76  -2.410   0.411   4.603
  561   HG12  VAL  76          HG12      VAL  76  -2.760  -0.118   6.257
  562   HG13  VAL  76          HG13      VAL  76  -1.445   1.024   5.940
  563   HG21  VAL  76          HG21      VAL  76  -1.028  -1.513   7.493
  564   HG22  VAL  76          HG22      VAL  76   0.467  -2.030   6.681
  565   HG23  VAL  76          HG23      VAL  76   0.212  -0.322   7.069
  566    H    ASN  77           H        ASN  77  -4.100  -1.907   4.846
  567    HA   ASN  77           HA       ASN  77  -4.364  -1.192   2.002
  568    HB2  ASN  77           HB2      ASN  77  -4.279  -3.687   2.048
  569    HB3  ASN  77           HB3      ASN  77  -5.636  -3.693   3.172
  570   HD21  ASN  77          HD22      ASN  77  -6.404  -5.147   1.371
  571   HD22  ASN  77          HD21      ASN  77  -7.305  -4.380   0.052
  572    H    ASN  78           H        ASN  78  -4.869   0.740   3.502
  573    HA   ASN  78           HA       ASN  78  -7.576   0.727   4.647
  574    HB2  ASN  78           HB2      ASN  78  -5.542   1.970   5.635
  575    HB3  ASN  78           HB3      ASN  78  -5.798   3.177   4.378
  576   HD21  ASN  78          HD22      ASN  78  -5.956   4.168   6.798
  577   HD22  ASN  78          HD21      ASN  78  -7.617   4.362   7.355
  578    H    SER  79           H        SER  79  -8.254  -0.052   2.496
  579    HA   SER  79           HA       SER  79  -8.134   1.145   0.050
  580    HB2  SER  79           HB2      SER  79 -10.286  -0.031  -0.466
  581    HB3  SER  79           HB3      SER  79  -9.074  -1.030   0.354
  582    HG   SER  79           HG       SER  79 -11.141  -1.303   1.294
  583    H    LEU  80           H        LEU  80 -10.949   1.766   2.176
  584    HA   LEU  80           HA       LEU  80 -12.014   3.819   0.465
  585    HB2  LEU  80           HB2      LEU  80 -12.536   3.391   3.436
  586    HB3  LEU  80           HB3      LEU  80 -13.490   4.364   2.340
  587    HG   LEU  80           HG       LEU  80 -13.272   1.344   2.442
  588   HD11  LEU  80          HD11      LEU  80 -15.659   3.250   2.422
  589   HD12  LEU  80          HD12      LEU  80 -15.699   1.494   2.701
  590   HD13  LEU  80          HD13      LEU  80 -14.930   2.570   3.882
  591   HD21  LEU  80          HD21      LEU  80 -14.771   1.271   0.428
  592   HD22  LEU  80          HD22      LEU  80 -14.426   2.991   0.152
  593   HD23  LEU  80          HD23      LEU  80 -13.121   1.784   0.064
  594    H    ASP  81           H        ASP  81  -9.701   4.042   3.147
  595    HA   ASP  81           HA       ASP  81  -9.781   6.894   3.330
  596    HB2  ASP  81           HB2      ASP  81  -8.807   5.418   5.053
  597    HB3  ASP  81           HB3      ASP  81  -7.480   5.020   3.950
  598    H    HIS  82           H        HIS  82  -7.757   4.664   1.431
  599    HA   HIS  82           HA       HIS  82  -6.235   6.621  -0.010
  600    HB2  HIS  82           HB2      HIS  82  -5.856   4.096   0.176
  601    HB3  HIS  82           HB3      HIS  82  -7.187   3.888  -0.974
  602    HD1  HIS  82           HD1      HIS  82  -6.534   4.164  -3.531
  603    HD2  HIS  82           HD2      HIS  82  -3.625   5.470  -0.779
  604    HE1  HIS  82           HE1      HIS  82  -4.452   4.705  -4.895
  605    H    GLU  83           H        GLU  83  -9.517   5.377  -0.475
  606    HA   GLU  83           HA       GLU  83  -9.822   6.246  -3.174
  607    HB2  GLU  83           HB2      GLU  83 -11.075   4.391  -1.891
  608    HB3  GLU  83           HB3      GLU  83 -12.064   5.670  -1.194
  609    HG2  GLU  83           HG2      GLU  83 -13.217   4.721  -3.053
  610    HG3  GLU  83           HG3      GLU  83 -12.729   6.352  -3.504
  611    H    TYR  84           H        TYR  84 -10.828   7.747  -0.110
  612    HA   TYR  84           HA       TYR  84 -12.027  10.015  -1.648
  613    HB2  TYR  84           HB2      TYR  84 -12.428   9.436   1.272
  614    HB3  TYR  84           HB3      TYR  84 -13.448  10.370   0.205
  615    HD1  TYR  84           HD2      TYR  84 -13.932   8.473  -2.066
  616    HD2  TYR  84           HD1      TYR  84 -13.711   7.819   2.190
  617    HE1  TYR  84           HE2      TYR  84 -15.412   6.483  -2.290
  618    HE2  TYR  84           HE1      TYR  84 -15.177   5.851   1.982
  619    HH   TYR  84           HH       TYR  84 -16.332   4.493   0.562
  620    H    GLN  85           H        GLN  85  -9.592   9.626   0.972
  621    HA   GLN  85           HA       GLN  85 -10.104  12.465   1.716
  622    HB2  GLN  85           HB2      GLN  85 -10.643  11.505   3.960
  623    HB3  GLN  85           HB3      GLN  85 -11.721  10.982   2.665
  624    HG2  GLN  85           HG2      GLN  85 -10.541   8.806   2.523
  625    HG3  GLN  85           HG3      GLN  85  -9.399   9.338   3.752
  626   HE21  GLN  85          HE22      GLN  85  -9.811   7.908   5.421
  627   HE22  GLN  85          HE21      GLN  85 -11.435   7.587   6.046
  628    HA   PRO  86           HA       PRO  86  -6.036  12.429   3.743
  629    HB2  PRO  86           HB2      PRO  86  -6.144  14.717   5.167
  630    HB3  PRO  86           HB3      PRO  86  -6.126  14.740   3.374
  631    HG2  PRO  86           HG2      PRO  86  -8.526  14.980   5.222
  632    HG3  PRO  86           HG3      PRO  86  -8.122  15.988   3.799
  633    HD2  PRO  86           HD2      PRO  86  -9.869  13.855   3.702
  634    HD3  PRO  86           HD3      PRO  86  -8.862  14.358   2.308
  635    H    ARG  87           H        ARG  87  -9.053  12.476   5.538
  636    HA   ARG  87           HA       ARG  87  -9.584  12.439   7.695
  637    HB2  ARG  87           HB2      ARG  87  -9.710  10.287   6.220
  638    HB3  ARG  87           HB3      ARG  87  -8.612   9.602   7.396
  639    HG2  ARG  87           HG2      ARG  87 -10.879   9.030   7.956
  640    HG3  ARG  87           HG3      ARG  87 -10.234  10.107   9.196
  641    HD2  ARG  87           HD2      ARG  87 -12.590  10.478   8.618
  642    HD3  ARG  87           HD3      ARG  87 -11.610  11.930   8.428
  643    HE   ARG  87           HE       ARG  87 -12.478  10.146   6.162
  644   HH11  ARG  87          HH11      ARG  87 -12.165  13.518   7.324
  645   HH12  ARG  87          HH12      ARG  87 -12.928  14.130   5.895
  646   HH21  ARG  87          HH21      ARG  87 -13.435  11.031   4.412
  647   HH22  ARG  87          HH22      ARG  87 -13.668  12.755   4.290
  648    HA   PRO  88           HA       PRO  88  -6.158  13.183  10.437
  649    HB2  PRO  88           HB2      PRO  88  -7.475  13.811  12.761
  650    HB3  PRO  88           HB3      PRO  88  -7.368  14.895  11.342
  651    HG2  PRO  88           HG2      PRO  88  -9.626  12.989  12.051
  652    HG3  PRO  88           HG3      PRO  88  -9.741  14.726  11.611
  653    HD2  PRO  88           HD2      PRO  88 -10.149  12.791   9.794
  654    HD3  PRO  88           HD3      PRO  88  -9.230  14.261   9.335
  655    H    VAL  89           H        VAL  89  -4.909  11.590  11.048
  656    HA   VAL  89           HA       VAL  89  -5.827   9.006  11.679
  657    HB   VAL  89           HB       VAL  89  -3.197  10.412  11.537
  658   HG11  VAL  89          HG11      VAL  89  -2.627   9.148  13.464
  659   HG12  VAL  89          HG12      VAL  89  -3.390   7.681  12.827
  660   HG13  VAL  89          HG13      VAL  89  -1.921   8.333  12.067
  661   HG21  VAL  89          HG21      VAL  89  -2.806   8.715   9.799
  662   HG22  VAL  89          HG22      VAL  89  -4.318   7.891  10.231
  663   HG23  VAL  89          HG23      VAL  89  -4.357   9.525   9.536
  664    H    GLU  90           H        GLU  90  -4.855  11.566  13.943
  665    HA   GLU  90           HA       GLU  90  -4.687   9.939  16.284
  666    HB2  GLU  90           HB2      GLU  90  -5.655  12.826  16.123
  667    HB3  GLU  90           HB3      GLU  90  -5.031  11.997  17.552
  668    HG2  GLU  90           HG2      GLU  90  -2.838  11.696  16.304
  669    HG3  GLU  90           HG3      GLU  90  -3.499  12.744  15.035
  670    H    VAL  91           H        VAL  91  -7.485  11.374  14.651
  671    HA   VAL  91           HA       VAL  91  -9.375  10.832  16.772
  672    HB   VAL  91           HB       VAL  91  -9.904  11.339  13.821
  673   HG11  VAL  91          HG11      VAL  91 -11.771  11.532  16.221
  674   HG12  VAL  91          HG12      VAL  91 -12.150  12.099  14.580
  675   HG13  VAL  91          HG13      VAL  91 -11.896  10.379  14.871
  676   HG21  VAL  91          HG21      VAL  91 -10.316  13.683  14.518
  677   HG22  VAL  91          HG22      VAL  91  -9.825  13.274  16.178
  678   HG23  VAL  91          HG23      VAL  91  -8.648  13.214  14.853
  679    H    ILE  92           H        ILE  92  -8.395   9.041  13.811
  680    HA   ILE  92           HA       ILE  92 -10.243   6.829  14.315
  681    HB   ILE  92           HB       ILE  92  -7.957   7.321  12.388
  682   HG12  ILE  92          HG12      ILE  92 -10.938   6.766  12.027
  683   HG13  ILE  92          HG13      ILE  92 -10.302   8.393  12.226
  684   HG21  ILE  92          HG21      ILE  92  -8.518   5.159  11.292
  685   HG22  ILE  92          HG22      ILE  92  -7.838   4.932  12.897
  686   HG23  ILE  92          HG23      ILE  92  -9.592   4.752  12.649
  687   HD11  ILE  92          HD11      ILE  92  -9.603   6.557   9.905
  688   HD12  ILE  92          HD12      ILE  92 -10.751   7.907   9.909
  689   HD13  ILE  92          HD13      ILE  92  -9.017   8.223  10.172
  690    H    ILE  93           H        ILE  93  -6.805   7.344  15.203
  691    HA   ILE  93           HA       ILE  93  -6.566   4.766  16.533
  692    HB   ILE  93           HB       ILE  93  -5.167   7.450  16.849
  693   HG12  ILE  93          HG12      ILE  93  -4.223   4.757  15.730
  694   HG13  ILE  93          HG13      ILE  93  -4.840   6.078  14.751
  695   HG21  ILE  93          HG21      ILE  93  -5.028   6.399  19.046
  696   HG22  ILE  93          HG22      ILE  93  -4.508   4.864  18.319
  697   HG23  ILE  93          HG23      ILE  93  -3.463   6.300  18.270
  698   HD11  ILE  93          HD11      ILE  93  -2.430   6.082  14.649
  699   HD12  ILE  93          HD12      ILE  93  -2.994   7.529  15.517
  700   HD13  ILE  93          HD13      ILE  93  -2.288   6.155  16.404
  701    H    SER  94           H        SER  94  -7.884   7.892  17.591
  702    HA   SER  94           HA       SER  94  -8.422   7.078  20.296
  703    HB2  SER  94           HB2      SER  94  -9.865   9.189  18.645
  704    HB3  SER  94           HB3      SER  94  -9.923   8.997  20.401
  705    HG   SER  94           HG       SER  94  -7.679   9.702  18.790
  706    H    SER  95           H        SER  95 -10.523   7.020  17.341
  707    HA   SER  95           HA       SER  95 -12.821   5.795  18.388
  708    HB2  SER  95           HB2      SER  95 -11.390   5.336  15.748
  709    HB3  SER  95           HB3      SER  95 -12.993   4.707  16.126
  710    HG   SER  95           HG       SER  95 -13.097   6.600  14.931
  711    H    ALA  96           H        ALA  96  -9.756   4.184  17.330
  712    HA   ALA  96           HA       ALA  96 -10.714   1.516  17.807
  713    HB1  ALA  96           HB1      ALA  96  -8.825   2.302  16.307
  714    HB2  ALA  96           HB2      ALA  96  -7.838   2.542  17.759
  715    HB3  ALA  96           HB3      ALA  96  -8.435   0.918  17.315
  716    H    LYS  97           H        LYS  97  -8.747   3.703  19.858
  717    HA   LYS  97           HA       LYS  97  -8.742   1.937  22.156
  718    HB2  LYS  97           HB2      LYS  97  -8.298   4.933  21.903
  719    HB3  LYS  97           HB3      LYS  97  -8.044   3.991  23.384
  720    HG2  LYS  97           HG2      LYS  97  -6.409   2.533  22.152
  721    HG3  LYS  97           HG3      LYS  97  -6.542   3.593  20.754
  722    HD2  LYS  97           HD2      LYS  97  -5.528   4.353  23.525
  723    HD3  LYS  97           HD3      LYS  97  -4.553   4.116  22.065
  724    HE2  LYS  97           HE2      LYS  97  -5.778   6.022  20.978
  725    HE3  LYS  97           HE3      LYS  97  -6.664   6.285  22.485
  726    HZ1  LYS  97           HZ1      LYS  97  -4.748   7.762  22.343
  727    HZ2  LYS  97           HZ2      LYS  97  -4.544   6.733  23.591
  728    HZ3  LYS  97           HZ3      LYS  97  -3.709   6.507  22.196
  729    H    GLU  98           H        GLU  98 -11.313   3.971  20.916
  730    HA   GLU  98           HA       GLU  98 -12.851   3.703  23.392
  731    HB2  GLU  98           HB2      GLU  98 -13.471   4.898  20.680
  732    HB3  GLU  98           HB3      GLU  98 -14.710   4.654  21.914
  733    HG2  GLU  98           HG2      GLU  98 -13.410   6.012  23.525
  734    HG3  GLU  98           HG3      GLU  98 -12.193   6.332  22.290
  735    H    MET  99           H        MET  99 -12.847   2.215  20.139
  736    HA   MET  99           HA       MET  99 -15.074   0.458  20.705
  737    HB2  MET  99           HB2      MET  99 -13.010   0.517  18.466
  738    HB3  MET  99           HB3      MET  99 -14.239  -0.739  18.612
  739    HG2  MET  99           HG2      MET  99 -15.955   1.213  18.796
  740    HG3  MET  99           HG3      MET  99 -14.662   2.217  18.160
  741    HE1  MET  99           HE1      MET  99 -15.791  -1.563  17.269
  742    HE2  MET  99           HE2      MET  99 -17.248  -0.596  17.580
  743    HE3  MET  99           HE3      MET  99 -16.891  -1.188  15.940
  744    H    VAL 100           H        VAL 100 -11.666   0.050  21.420
  745    HA   VAL 100           HA       VAL 100 -11.484  -2.675  21.764
  746    HB   VAL 100           HB       VAL 100  -9.735  -1.026  22.351
  747   HG11  VAL 100          HG11      VAL 100  -9.514  -0.005  24.464
  748   HG12  VAL 100          HG12      VAL 100 -11.160   0.374  23.914
  749   HG13  VAL 100          HG13      VAL 100 -10.904  -0.879  25.144
  750   HG21  VAL 100          HG21      VAL 100 -10.233  -3.211  24.417
  751   HG22  VAL 100          HG22      VAL 100  -9.434  -3.405  22.844
  752   HG23  VAL 100          HG23      VAL 100  -8.688  -2.409  24.109
  753    H    GLY 101           H        GLY 101 -12.445  -4.225  22.785
  754    HA2  GLY 101           HA2      GLY 101 -13.580  -5.395  24.466
  755    HA3  GLY 101           HA3      GLY 101 -14.022  -3.866  25.266
  756    H    GLN 102           H        GLN 102 -14.939  -3.279  22.125
  757    HA   GLN 102           HA       GLN 102 -17.731  -3.860  22.646
  758    HB2  GLN 102           HB2      GLN 102 -16.274  -2.877  20.146
  759    HB3  GLN 102           HB3      GLN 102 -18.015  -3.074  20.247
  760    HG2  GLN 102           HG2      GLN 102 -16.434  -1.205  22.063
  761    HG3  GLN 102           HG3      GLN 102 -17.278  -0.725  20.589
  762   HE21  GLN 102          HE22      GLN 102 -19.714  -0.959  20.564
  763   HE22  GLN 102          HE21      GLN 102 -20.552  -0.940  22.105
  764    H    LYS 103           H        LYS 103 -19.068  -5.142  21.469
  765    HA   LYS 103           HA       LYS 103 -17.905  -7.550  20.148
  766    HB2  LYS 103           HB2      LYS 103 -20.029  -7.472  22.341
  767    HB3  LYS 103           HB3      LYS 103 -19.574  -8.915  21.432
  768    HG2  LYS 103           HG2      LYS 103 -17.275  -8.790  22.322
  769    HG3  LYS 103           HG3      LYS 103 -17.695  -7.315  23.216
  770    HD2  LYS 103           HD2      LYS 103 -19.423  -8.580  24.488
  771    HD3  LYS 103           HD3      LYS 103 -18.994 -10.041  23.599
  772    HE2  LYS 103           HE2      LYS 103 -17.908 -10.145  25.743
  773    HE3  LYS 103           HE3      LYS 103 -16.671  -9.910  24.503
  774    HZ1  LYS 103           HZ1      LYS 103 -17.759  -7.789  26.286
  775    HZ2  LYS 103           HZ2      LYS 103 -16.271  -8.477  26.388
  776    HZ3  LYS 103           HZ3      LYS 103 -16.635  -7.535  25.114
  777    H    MET 104           H        MET 104 -19.236  -8.666  18.690
  778    HA   MET 104           HA       MET 104 -21.873  -7.558  17.873
  779    HB2  MET 104           HB2      MET 104 -19.449  -7.627  16.013
  780    HB3  MET 104           HB3      MET 104 -21.121  -7.372  15.494
  781    HG2  MET 104           HG2      MET 104 -21.195  -5.361  17.047
  782    HG3  MET 104           HG3      MET 104 -19.444  -5.514  17.203
  783    HE1  MET 104           HE1      MET 104 -18.652  -6.461  14.168
  784    HE2  MET 104           HE2      MET 104 -18.238  -4.873  13.505
  785    HE3  MET 104           HE3      MET 104 -17.751  -5.294  15.167
  786    H    LYS 105           H        LYS 105 -23.065  -9.020  16.479
  787    HA   LYS 105           HA       LYS 105 -21.684 -11.533  15.668
  788    HB2  LYS 105           HB2      LYS 105 -23.098 -11.583  17.933
  789    HB3  LYS 105           HB3      LYS 105 -24.467 -11.746  16.829
  790    HG2  LYS 105           HG2      LYS 105 -23.225 -13.712  15.758
  791    HG3  LYS 105           HG3      LYS 105 -21.999 -13.543  17.003
  792    HD2  LYS 105           HD2      LYS 105 -24.904 -14.364  17.321
  793    HD3  LYS 105           HD3      LYS 105 -23.443 -15.325  17.630
  794    HE2  LYS 105           HE2      LYS 105 -22.867 -13.855  19.540
  795    HE3  LYS 105           HE3      LYS 105 -24.314 -12.886  19.241
  796    HZ1  LYS 105           HZ1      LYS 105 -24.276 -15.750  20.040
  797    HZ2  LYS 105           HZ2      LYS 105 -24.733 -14.488  20.977
  798    HZ3  LYS 105           HZ3      LYS 105 -25.646 -14.904  19.686
  799    H    TYR 106           H        TYR 106 -22.796  -8.999  14.367
  800    HA   TYR 106           HA       TYR 106 -25.056  -9.917  12.757
  801    HB2  TYR 106           HB2      TYR 106 -23.562  -7.292  12.575
  802    HB3  TYR 106           HB3      TYR 106 -25.205  -7.632  12.059
  803    HD1  TYR 106           HD2      TYR 106 -26.851  -8.467  14.013
  804    HD2  TYR 106           HD1      TYR 106 -23.215  -6.230  14.644
  805    HE1  TYR 106           HE2      TYR 106 -27.664  -7.776  16.257
  806    HE2  TYR 106           HE1      TYR 106 -24.022  -5.539  16.886
  807    HH   TYR 106           HH       TYR 106 -27.206  -6.576  18.163
  808    H    SER 107           H        SER 107 -25.109 -10.263  10.580
  809    HA   SER 107           HA       SER 107 -24.527 -10.583   8.411
  810    HB2  SER 107           HB2      SER 107 -23.702  -8.191   8.784
  811    HB3  SER 107           HB3      SER 107 -22.061  -8.865   8.794
  812    HG   SER 107           HG       SER 107 -23.203  -8.145   6.691
  813    H    ILE 108           H        ILE 108 -22.298 -10.951   6.982
  814    HA   ILE 108           HA       ILE 108 -21.267 -13.593   7.832
  815    HB   ILE 108           HB       ILE 108 -20.648 -11.904   5.365
  816   HG12  ILE 108          HG12      ILE 108 -23.004 -12.424   5.285
  817   HG13  ILE 108          HG13      ILE 108 -22.151 -13.402   4.110
  818   HG21  ILE 108          HG21      ILE 108 -19.897 -14.081   4.372
  819   HG22  ILE 108          HG22      ILE 108 -18.876 -13.510   5.689
  820   HG23  ILE 108          HG23      ILE 108 -20.037 -14.826   5.978
  821   HD11  ILE 108          HD11      ILE 108 -23.883 -14.709   5.205
  822   HD12  ILE 108          HD12      ILE 108 -22.304 -15.377   5.642
  823   HD13  ILE 108          HD13      ILE 108 -23.213 -14.368   6.800
  824    H    VAL 109           H        VAL 109 -19.071 -13.993   8.400
  825    HA   VAL 109           HA       VAL 109 -17.989 -12.079  10.080
  826    HB   VAL 109           HB       VAL 109 -15.961 -13.421  10.322
  827   HG11  VAL 109          HG11      VAL 109 -18.102 -13.986  11.475
  828   HG12  VAL 109          HG12      VAL 109 -18.454 -15.163  10.200
  829   HG13  VAL 109          HG13      VAL 109 -17.030 -15.379  11.234
  830   HG21  VAL 109          HG21      VAL 109 -15.667 -15.544   9.115
  831   HG22  VAL 109          HG22      VAL 109 -17.053 -15.179   8.071
  832   HG23  VAL 109          HG23      VAL 109 -15.582 -14.182   7.993
  833    H    SER 110           H        SER 110 -16.954 -12.568   6.687
  834    HA   SER 110           HA       SER 110 -14.765 -10.734   6.753
  835    HB2  SER 110           HB2      SER 110 -16.599 -11.385   4.415
  836    HB3  SER 110           HB3      SER 110 -14.955 -10.716   4.329
  837    HG   SER 110           HG       SER 110 -14.977 -12.985   3.981
  838    H    ARG 111           H        ARG 111 -18.278 -10.172   6.332
  839    HA   ARG 111           HA       ARG 111 -17.846  -7.308   5.872
  840    HB2  ARG 111           HB2      ARG 111 -19.794  -8.504   4.853
  841    HB3  ARG 111           HB3      ARG 111 -20.445  -8.730   6.480
  842    HG2  ARG 111           HG2      ARG 111 -21.532  -6.814   5.510
  843    HG3  ARG 111           HG3      ARG 111 -20.450  -6.201   6.761
  844    HD2  ARG 111           HD2      ARG 111 -18.803  -5.545   5.049
  845    HD3  ARG 111           HD3      ARG 111 -19.852  -6.211   3.777
  846    HE   ARG 111           HE       ARG 111 -21.270  -4.334   5.442
  847   HH11  ARG 111          HH11      ARG 111 -18.713  -4.161   2.999
  848   HH12  ARG 111          HH12      ARG 111 -19.347  -2.679   2.328
  849   HH21  ARG 111          HH21      ARG 111 -21.940  -2.413   4.651
  850   HH22  ARG 111          HH22      ARG 111 -21.123  -1.645   3.320
  851    H    ASN 112           H        ASN 112 -18.595  -9.431   8.609
  852    HA   ASN 112           HA       ASN 112 -19.216  -7.471  10.559
  853    HB2  ASN 112           HB2      ASN 112 -19.358  -9.987  10.777
  854    HB3  ASN 112           HB3      ASN 112 -17.609 -10.021  11.002
  855   HD21  ASN 112          HD22      ASN 112 -20.683  -9.251  12.489
  856   HD22  ASN 112          HD21      ASN 112 -20.004  -8.961  14.094
  857    H    CYS 113           H        CYS 113 -15.920  -8.640   9.626
  858    HA   CYS 113           HA       CYS 113 -14.646  -6.678  11.345
  859    HB2  CYS 113           HB2      CYS 113 -12.583  -7.578  10.526
  860    HB3  CYS 113           HB3      CYS 113 -13.711  -8.889  10.844
  861    HG   CYS 113           HG       CYS 113 -12.316  -9.490   8.688
  862    H    GLU 114           H        GLU 114 -15.385  -6.686   7.815
  863    HA   GLU 114           HA       GLU 114 -14.202  -4.186   7.204
  864    HB2  GLU 114           HB2      GLU 114 -14.995  -5.842   5.573
  865    HB3  GLU 114           HB3      GLU 114 -16.672  -5.459   5.991
  866    HG2  GLU 114           HG2      GLU 114 -16.428  -3.199   5.129
  867    HG3  GLU 114           HG3      GLU 114 -14.685  -3.431   4.907
  868    H    HIS 115           H        HIS 115 -17.566  -4.837   8.352
  869    HA   HIS 115           HA       HIS 115 -18.476  -2.167   8.589
  870    HB2  HIS 115           HB2      HIS 115 -19.091  -4.722  10.117
  871    HB3  HIS 115           HB3      HIS 115 -19.793  -3.190  10.581
  872    HD1  HIS 115           HD1      HIS 115 -21.759  -5.362   9.746
  873    HD2  HIS 115           HD2      HIS 115 -20.175  -2.396   7.223
  874    HE1  HIS 115           HE1      HIS 115 -23.456  -5.027   7.877
  875    H    PHE 116           H        PHE 116 -16.722  -4.215  11.005
  876    HA   PHE 116           HA       PHE 116 -16.500  -2.310  13.048
  877    HB2  PHE 116           HB2      PHE 116 -15.889  -4.382  13.767
  878    HB3  PHE 116           HB3      PHE 116 -15.163  -4.841  12.268
  879    HD1  PHE 116           HD2      PHE 116 -14.567  -2.645  15.249
  880    HD2  PHE 116           HD1      PHE 116 -12.768  -4.905  12.036
  881    HE1  PHE 116           HE2      PHE 116 -12.314  -2.210  16.196
  882    HE2  PHE 116           HE1      PHE 116 -10.526  -4.474  12.994
  883    HZ   PHE 116           HZ       PHE 116 -10.289  -3.136  15.080
  884    H    VAL 117           H        VAL 117 -13.990  -2.866  10.432
  885    HA   VAL 117           HA       VAL 117 -12.469  -0.605  11.402
  886    HB   VAL 117           HB       VAL 117 -11.244  -0.578   9.281
  887   HG11  VAL 117          HG11      VAL 117 -10.523  -1.979  11.174
  888   HG12  VAL 117          HG12      VAL 117 -11.511  -3.324  10.548
  889   HG13  VAL 117          HG13      VAL 117 -10.135  -2.709   9.613
  890   HG21  VAL 117          HG21      VAL 117 -11.547  -2.369   7.624
  891   HG22  VAL 117          HG22      VAL 117 -12.999  -2.911   8.472
  892   HG23  VAL 117          HG23      VAL 117 -12.964  -1.315   7.685
  893    H    THR 118           H        THR 118 -15.108  -0.733   9.028
  894    HA   THR 118           HA       THR 118 -14.942   2.092   8.266
  895    HB   THR 118           HB       THR 118 -17.504   0.490   8.358
  896    HG1  THR 118           HG1      THR 118 -16.092  -0.754   7.174
  897   HG21  THR 118          HG21      THR 118 -16.493   2.713   6.519
  898   HG22  THR 118          HG22      THR 118 -18.072   1.914   6.442
  899   HG23  THR 118          HG23      THR 118 -17.661   2.928   7.841
  900    H    GLN 119           H        GLN 119 -16.731   0.443  10.941
  901    HA   GLN 119           HA       GLN 119 -17.715   2.824  12.119
  902    HB2  GLN 119           HB2      GLN 119 -17.000   0.126  13.280
  903    HB3  GLN 119           HB3      GLN 119 -17.693   1.422  14.248
  904    HG2  GLN 119           HG2      GLN 119 -19.726   1.435  13.037
  905    HG3  GLN 119           HG3      GLN 119 -19.052   0.543  11.671
  906   HE21  GLN 119          HE22      GLN 119 -19.156  -0.082  15.264
  907   HE22  GLN 119          HE21      GLN 119 -19.772  -1.722  15.052
  908    H    LEU 120           H        LEU 120 -14.356   1.603  12.283
  909    HA   LEU 120           HA       LEU 120 -13.551   3.463  14.348
  910    HB2  LEU 120           HB2      LEU 120 -11.880   2.265  12.091
  911    HB3  LEU 120           HB3      LEU 120 -11.256   3.106  13.490
  912    HG   LEU 120           HG       LEU 120 -12.806   0.483  13.623
  913   HD11  LEU 120          HD11      LEU 120  -9.826   1.031  13.925
  914   HD12  LEU 120          HD12      LEU 120 -10.628  -0.540  14.091
  915   HD13  LEU 120          HD13      LEU 120 -10.585   0.265  12.511
  916   HD21  LEU 120          HD21      LEU 120 -11.926   0.422  15.956
  917   HD22  LEU 120          HD22      LEU 120 -11.273   2.061  15.716
  918   HD23  LEU 120          HD23      LEU 120 -13.019   1.793  15.703
  919    H    ARG 121           H        ARG 121 -13.535   3.711  10.772
  920    HA   ARG 121           HA       ARG 121 -12.857   6.613  10.972
  921    HB2  ARG 121           HB2      ARG 121 -12.414   6.505   8.565
  922    HB3  ARG 121           HB3      ARG 121 -11.578   5.190   9.399
  923    HG2  ARG 121           HG2      ARG 121 -13.477   3.671   8.799
  924    HG3  ARG 121           HG3      ARG 121 -14.173   4.960   7.815
  925    HD2  ARG 121           HD2      ARG 121 -12.225   4.857   6.315
  926    HD3  ARG 121           HD3      ARG 121 -11.438   3.683   7.399
  927    HE   ARG 121           HE       ARG 121 -14.125   3.048   6.293
  928   HH11  ARG 121          HH11      ARG 121 -10.671   2.401   5.790
  929   HH12  ARG 121          HH12      ARG 121 -10.993   0.805   5.189
  930   HH21  ARG 121          HH21      ARG 121 -14.422   0.866   5.740
  931   HH22  ARG 121          HH22      ARG 121 -13.081  -0.014   5.081
  932    H    TYR 122           H        TYR 122 -15.703   4.983  11.003
  933    HA   TYR 122           HA       TYR 122 -17.323   6.053   9.096
  934    HB2  TYR 122           HB2      TYR 122 -17.978   4.200  10.398
  935    HB3  TYR 122           HB3      TYR 122 -17.889   5.113  11.908
  936    HD1  TYR 122           HD1      TYR 122 -19.662   5.576   8.589
  937    HD2  TYR 122           HD2      TYR 122 -19.998   5.180  12.879
  938    HE1  TYR 122           HE1      TYR 122 -22.115   5.926   8.431
  939    HE2  TYR 122           HE2      TYR 122 -22.448   5.544  12.722
  940    HH   TYR 122           HH       TYR 122 -24.233   5.937  11.329
  941    H    GLY 123           H        GLY 123 -16.183   7.579  12.021
  942    HA2  GLY 123           HA2      GLY 123 -18.302   9.456  12.536
  943    HA3  GLY 123           HA3      GLY 123 -16.650   9.522  13.196
  944    H    LYS 124           H        LYS 124 -15.524   9.628  10.405
  945    HA   LYS 124           HA       LYS 124 -16.395  12.370   9.537
  946    HB2  LYS 124           HB2      LYS 124 -13.601  11.370  10.225
  947    HB3  LYS 124           HB3      LYS 124 -13.857  12.754   9.145
  948    HG2  LYS 124           HG2      LYS 124 -15.166  13.888  10.937
  949    HG3  LYS 124           HG3      LYS 124 -14.839  12.525  12.028
  950    HD2  LYS 124           HD2      LYS 124 -12.392  12.927  11.784
  951    HD3  LYS 124           HD3      LYS 124 -12.729  14.335  10.766
  952    HE2  LYS 124           HE2      LYS 124 -13.657  13.988  13.662
  953    HE3  LYS 124           HE3      LYS 124 -12.214  14.876  13.170
  954    HZ1  LYS 124           HZ1      LYS 124 -14.055  16.389  13.497
  955    HZ2  LYS 124           HZ2      LYS 124 -13.645  16.400  11.919
  956    HZ3  LYS 124           HZ3      LYS 124 -14.988  15.605  12.411
  957    H    SER 125           H        SER 125 -15.462   9.165   8.505
  958    HA   SER 125           HA       SER 125 -14.846   9.836   5.733
  959    HB2  SER 125           HB2      SER 125 -14.115   7.750   7.040
  960    HB3  SER 125           HB3      SER 125 -15.754   7.140   6.775
  961    HG   SER 125           HG       SER 125 -13.910   8.035   4.768
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  23.374  -9.280  -0.882
    2    H2   MET   1           H2       MET   1  23.087  -7.975   0.055
    3    H3   MET   1           H3       MET   1  23.658  -9.346   0.732
    4    HA   MET   1           HA       MET   1  20.998  -9.033  -0.522
    5    HB2  MET   1           HB2      MET   1  22.193 -11.442   0.922
    6    HB3  MET   1           HB3      MET   1  20.490 -11.270   0.504
    7    HG2  MET   1           HG2      MET   1  21.120 -11.052  -1.905
    8    HG3  MET   1           HG3      MET   1  22.793 -11.406  -1.473
    9    HE1  MET   1           HE1      MET   1  23.720 -13.727  -0.729
   10    HE2  MET   1           HE2      MET   1  22.636 -13.767   0.685
   11    HE3  MET   1           HE3      MET   1  22.711 -15.159  -0.415
   12    H    ALA   2           H        ALA   2  19.188  -9.031   0.936
   13    HA   ALA   2           HA       ALA   2  19.582  -8.686   3.814
   14    HB1  ALA   2           HB1      ALA   2  18.675  -6.333   2.083
   15    HB2  ALA   2           HB2      ALA   2  18.684  -6.378   3.856
   16    HB3  ALA   2           HB3      ALA   2  20.213  -6.436   2.974
   17    H    SER   3           H        SER   3  17.558  -8.467   4.980
   18    HA   SER   3           HA       SER   3  15.439 -10.098   3.896
   19    HB2  SER   3           HB2      SER   3  15.558  -8.430   6.436
   20    HB3  SER   3           HB3      SER   3  14.327  -9.648   6.061
   21    HG   SER   3           HG       SER   3  16.031 -10.484   7.376
   22    HA   PRO   4           HA       PRO   4  12.670  -6.812   2.477
   23    HB2  PRO   4           HB2      PRO   4  10.265  -8.086   2.459
   24    HB3  PRO   4           HB3      PRO   4  11.579  -8.497   1.310
   25    HG2  PRO   4           HG2      PRO   4  10.868  -9.892   3.908
   26    HG3  PRO   4           HG3      PRO   4  11.159 -10.636   2.304
   27    HD2  PRO   4           HD2      PRO   4  13.102 -10.479   4.227
   28    HD3  PRO   4           HD3      PRO   4  13.480 -10.347   2.484
   29    H    HIS   5           H        HIS   5  11.240  -5.295   3.356
   30    HA   HIS   5           HA       HIS   5  10.097  -5.657   6.059
   31    HB2  HIS   5           HB2      HIS   5  12.159  -3.526   5.350
   32    HB3  HIS   5           HB3      HIS   5  11.130  -3.450   6.773
   33    HD1  HIS   5           HD1      HIS   5  11.547  -5.506   8.640
   34    HD2  HIS   5           HD2      HIS   5  14.413  -4.850   5.632
   35    HE1  HIS   5           HE1      HIS   5  13.669  -6.663   9.423
   36    H    GLN   6           H        GLN   6   8.612  -3.922   6.663
   37    HA   GLN   6           HA       GLN   6   7.757  -1.901   4.797
   38    HB2  GLN   6           HB2      GLN   6   5.522  -2.730   4.343
   39    HB3  GLN   6           HB3      GLN   6   6.705  -3.869   3.714
   40    HG2  GLN   6           HG2      GLN   6   6.348  -5.345   5.695
   41    HG3  GLN   6           HG3      GLN   6   5.160  -4.204   6.332
   42   HE21  GLN   6          HE22      GLN   6   4.176  -6.691   6.084
   43   HE22  GLN   6          HE21      GLN   6   3.136  -6.773   4.665
   44    H    GLU   7           H        GLU   7   5.588  -0.893   5.714
   45    HA   GLU   7           HA       GLU   7   5.183  -1.275   8.577
   46    HB2  GLU   7           HB2      GLU   7   5.490   1.204   9.040
   47    HB3  GLU   7           HB3      GLU   7   6.946   0.218   8.903
   48    HG2  GLU   7           HG2      GLU   7   7.319   1.085   6.606
   49    HG3  GLU   7           HG3      GLU   7   5.836   2.037   6.722
   50    HA   PRO   8           HA       PRO   8   1.215   0.404   7.153
   51    HB2  PRO   8           HB2      PRO   8  -0.299  -0.049   9.349
   52    HB3  PRO   8           HB3      PRO   8   0.272  -1.411   8.325
   53    HG2  PRO   8           HG2      PRO   8   1.472  -0.386  10.895
   54    HG3  PRO   8           HG3      PRO   8   1.134  -2.083  10.419
   55    HD2  PRO   8           HD2      PRO   8   3.607  -0.847  10.187
   56    HD3  PRO   8           HD3      PRO   8   3.071  -2.180   9.121
   57    H    LYS   9           H        LYS   9  -0.047   2.305   7.685
   58    HA   LYS   9           HA       LYS   9   1.498   4.291   9.297
   59    HB2  LYS   9           HB2      LYS   9  -0.113   4.400   6.755
   60    HB3  LYS   9           HB3      LYS   9  -0.126   5.822   7.784
   61    HG2  LYS   9           HG2      LYS   9   1.625   5.856   6.009
   62    HG3  LYS   9           HG3      LYS   9   2.222   6.137   7.642
   63    HD2  LYS   9           HD2      LYS   9   3.135   3.891   7.791
   64    HD3  LYS   9           HD3      LYS   9   2.408   3.424   6.249
   65    HE2  LYS   9           HE2      LYS   9   4.498   5.641   6.598
   66    HE3  LYS   9           HE3      LYS   9   4.890   3.970   6.200
   67    HZ1  LYS   9           HZ1      LYS   9   3.575   4.209   4.158
   68    HZ2  LYS   9           HZ2      LYS   9   3.250   5.778   4.507
   69    HZ3  LYS   9           HZ3      LYS   9   4.786   5.306   4.210
   70    HA   PRO  10           HA       PRO  10  -1.380   4.471  12.374
   71    HB2  PRO  10           HB2      PRO  10  -1.301   7.004  13.375
   72    HB3  PRO  10           HB3      PRO  10   0.078   5.849  13.468
   73    HG2  PRO  10           HG2      PRO  10  -0.399   8.021  11.394
   74    HG3  PRO  10           HG3      PRO  10   1.092   7.707  12.339
   75    HD2  PRO  10           HD2      PRO  10   0.804   6.746   9.819
   76    HD3  PRO  10           HD3      PRO  10   1.587   5.758  11.091
   77    H    GLY  11           H        GLY  11  -3.461   4.551  12.782
   78    HA2  GLY  11           HA2      GLY  11  -5.719   5.047  12.597
   79    HA3  GLY  11           HA3      GLY  11  -5.360   6.342  11.426
   80    H    ASP  12           H        ASP  12  -3.736   3.792  10.140
   81    HA   ASP  12           HA       ASP  12  -5.920   3.492   8.220
   82    HB2  ASP  12           HB2      ASP  12  -3.350   4.135   7.861
   83    HB3  ASP  12           HB3      ASP  12  -3.230   2.395   7.588
   84    H    LEU  13           H        LEU  13  -5.989   1.466   6.889
   85    HA   LEU  13           HA       LEU  13  -6.868  -0.689   8.724
   86    HB2  LEU  13           HB2      LEU  13  -7.263  -0.309   5.713
   87    HB3  LEU  13           HB3      LEU  13  -8.005  -1.570   6.696
   88    HG   LEU  13           HG       LEU  13  -8.497   1.407   6.876
   89   HD11  LEU  13          HD11      LEU  13 -10.279  -0.903   5.976
   90   HD12  LEU  13          HD12      LEU  13 -10.770   0.803   6.081
   91   HD13  LEU  13          HD13      LEU  13  -9.522   0.316   4.923
   92   HD21  LEU  13          HD21      LEU  13  -9.608  -0.903   8.539
   93   HD22  LEU  13          HD22      LEU  13  -8.671   0.472   9.130
   94   HD23  LEU  13          HD23      LEU  13 -10.320   0.734   8.530
   95    H    ILE  14           H        ILE  14  -5.662  -2.328   9.163
   96    HA   ILE  14           HA       ILE  14  -3.527  -3.187   7.245
   97    HB   ILE  14           HB       ILE  14  -3.779  -4.234  10.052
   98   HG12  ILE  14          HG12      ILE  14  -2.407  -1.600   9.371
   99   HG13  ILE  14          HG13      ILE  14  -3.851  -1.787  10.375
  100   HG21  ILE  14          HG21      ILE  14  -1.366  -3.678   8.262
  101   HG22  ILE  14          HG22      ILE  14  -1.375  -4.620   9.769
  102   HG23  ILE  14          HG23      ILE  14  -2.209  -5.239   8.349
  103   HD11  ILE  14          HD11      ILE  14  -2.121  -1.572  11.918
  104   HD12  ILE  14          HD12      ILE  14  -2.477  -3.304  11.897
  105   HD13  ILE  14          HD13      ILE  14  -1.049  -2.665  11.031
  106    H    GLU  15           H        GLU  15  -3.884  -4.909   6.043
  107    HA   GLU  15           HA       GLU  15  -6.099  -6.806   6.597
  108    HB2  GLU  15           HB2      GLU  15  -5.842  -5.415   4.453
  109    HB3  GLU  15           HB3      GLU  15  -4.417  -6.365   4.083
  110    HG2  GLU  15           HG2      GLU  15  -5.891  -8.429   4.171
  111    HG3  GLU  15           HG3      GLU  15  -7.286  -7.348   4.355
  112    H    ILE  16           H        ILE  16  -5.274  -8.424   7.940
  113    HA   ILE  16           HA       ILE  16  -2.482  -9.464   7.477
  114    HB   ILE  16           HB       ILE  16  -4.249  -9.511   9.959
  115   HG12  ILE  16          HG12      ILE  16  -1.799  -7.766   9.442
  116   HG13  ILE  16          HG13      ILE  16  -3.462  -7.192   9.342
  117   HG21  ILE  16          HG21      ILE  16  -2.209 -10.293  11.130
  118   HG22  ILE  16          HG22      ILE  16  -2.640 -11.408   9.847
  119   HG23  ILE  16          HG23      ILE  16  -1.306 -10.263   9.596
  120   HD11  ILE  16          HD11      ILE  16  -2.557  -6.523  11.447
  121   HD12  ILE  16          HD12      ILE  16  -3.813  -7.743  11.729
  122   HD13  ILE  16          HD13      ILE  16  -2.085  -8.173  11.856
  123    H    PHE  17           H        PHE  17  -2.333 -11.444   6.548
  124    HA   PHE  17           HA       PHE  17  -4.719 -13.142   6.353
  125    HB2  PHE  17           HB2      PHE  17  -3.104 -12.642   4.477
  126    HB3  PHE  17           HB3      PHE  17  -1.915 -13.646   5.293
  127    HD1  PHE  17           HD2      PHE  17  -5.407 -13.652   3.906
  128    HD2  PHE  17           HD1      PHE  17  -1.942 -16.027   4.884
  129    HE1  PHE  17           HE2      PHE  17  -6.426 -15.604   2.766
  130    HE2  PHE  17           HE1      PHE  17  -2.957 -17.976   3.727
  131    HZ   PHE  17           HZ       PHE  17  -5.198 -17.766   2.655
  132    H    ARG  18           H        ARG  18  -4.625 -13.134   8.815
  133    HA   ARG  18           HA       ARG  18  -2.586 -14.474  10.226
  134    HB2  ARG  18           HB2      ARG  18  -4.786 -12.931  10.888
  135    HB3  ARG  18           HB3      ARG  18  -5.152 -14.469  11.651
  136    HG2  ARG  18           HG2      ARG  18  -2.602 -12.844  11.965
  137    HG3  ARG  18           HG3      ARG  18  -3.923 -12.951  13.141
  138    HD2  ARG  18           HD2      ARG  18  -3.430 -15.382  13.438
  139    HD3  ARG  18           HD3      ARG  18  -2.067 -15.221  12.306
  140    HE   ARG  18           HE       ARG  18  -1.771 -13.271  14.328
  141   HH11  ARG  18          HH11      ARG  18  -1.465 -16.772  13.940
  142   HH12  ARG  18          HH12      ARG  18  -0.295 -16.915  15.216
  143   HH21  ARG  18          HH21      ARG  18  -0.241 -13.516  16.002
  144   HH22  ARG  18          HH22      ARG  18   0.388 -15.091  16.356
  145    H    LEU  19           H        LEU  19  -5.438 -15.915   8.770
  146    HA   LEU  19           HA       LEU  19  -4.743 -18.613   9.761
  147    HB2  LEU  19           HB2      LEU  19  -6.883 -18.791  11.049
  148    HB3  LEU  19           HB3      LEU  19  -5.646 -17.739  11.709
  149    HG   LEU  19           HG       LEU  19  -6.848 -15.743  11.057
  150   HD11  LEU  19          HD11      LEU  19  -7.984 -16.426   9.035
  151   HD12  LEU  19          HD12      LEU  19  -9.015 -17.557   9.953
  152   HD13  LEU  19          HD13      LEU  19  -9.152 -15.806  10.209
  153   HD21  LEU  19          HD21      LEU  19  -7.304 -16.798  13.242
  154   HD22  LEU  19          HD22      LEU  19  -8.725 -15.949  12.616
  155   HD23  LEU  19          HD23      LEU  19  -8.640 -17.721  12.521
  156    H    GLY  20           H        GLY  20  -4.875 -17.742   7.116
  157    HA2  GLY  20           HA2      GLY  20  -5.592 -18.722   5.116
  158    HA3  GLY  20           HA3      GLY  20  -6.846 -19.625   5.995
  159    H    TYR  21           H        TYR  21  -6.761 -16.274   6.616
  160    HA   TYR  21           HA       TYR  21  -8.670 -15.305   4.653
  161    HB2  TYR  21           HB2      TYR  21 -10.214 -16.665   5.911
  162    HB3  TYR  21           HB3      TYR  21  -9.511 -16.164   7.436
  163    HD1  TYR  21           HD1      TYR  21 -11.302 -14.697   4.464
  164    HD2  TYR  21           HD2      TYR  21 -10.568 -14.537   8.711
  165    HE1  TYR  21           HE1      TYR  21 -13.008 -12.893   4.693
  166    HE2  TYR  21           HE2      TYR  21 -12.275 -12.757   8.951
  167    HH   TYR  21           HH       TYR  21 -13.842 -11.467   7.876
  168    H    GLU  22           H        GLU  22  -8.965 -13.069   4.818
  169    HA   GLU  22           HA       GLU  22  -6.852 -11.602   6.081
  170    HB2  GLU  22           HB2      GLU  22  -9.331 -10.638   4.590
  171    HB3  GLU  22           HB3      GLU  22  -7.974  -9.647   5.111
  172    HG2  GLU  22           HG2      GLU  22  -7.525 -10.081   2.868
  173    HG3  GLU  22           HG3      GLU  22  -6.437 -11.143   3.762
  174    H    HIS  23           H        HIS  23  -6.802 -11.318   8.164
  175    HA   HIS  23           HA       HIS  23  -9.158 -10.641   9.824
  176    HB2  HIS  23           HB2      HIS  23  -7.312 -12.297  10.429
  177    HB3  HIS  23           HB3      HIS  23  -6.202 -10.936  10.528
  178    HD1  HIS  23           HD1      HIS  23  -7.873  -8.922  12.376
  179    HD2  HIS  23           HD2      HIS  23  -7.568 -13.104  12.815
  180    HE1  HIS  23           HE1      HIS  23  -8.359  -9.436  14.815
  181    H    TRP  24           H        TRP  24  -9.685  -8.495  10.179
  182    HA   TRP  24           HA       TRP  24  -7.926  -6.389   9.177
  183    HB2  TRP  24           HB2      TRP  24 -10.659  -6.384  10.503
  184    HB3  TRP  24           HB3      TRP  24  -9.781  -4.914  10.110
  185    HD1  TRP  24           HD1      TRP  24 -12.436  -6.739   8.741
  186    HE1  TRP  24           HE1      TRP  24 -12.656  -6.579   6.192
  187    HE3  TRP  24           HE3      TRP  24  -7.965  -4.524   7.722
  188    HZ2  TRP  24           HZ2      TRP  24 -11.081  -5.592   3.989
  189    HZ3  TRP  24           HZ3      TRP  24  -7.370  -3.913   5.405
  190    HH2  TRP  24           HH2      TRP  24  -8.910  -4.493   3.523
  191    H    ALA  25           H        ALA  25  -6.944  -4.774  10.266
  192    HA   ALA  25           HA       ALA  25  -7.339  -4.415  13.134
  193    HB1  ALA  25           HB1      ALA  25  -5.473  -6.066  13.031
  194    HB2  ALA  25           HB2      ALA  25  -4.555  -4.964  11.997
  195    HB3  ALA  25           HB3      ALA  25  -4.926  -4.506  13.672
  196    H    LEU  26           H        LEU  26  -6.453  -2.427  13.938
  197    HA   LEU  26           HA       LEU  26  -6.215  -0.251  11.883
  198    HB2  LEU  26           HB2      LEU  26  -8.411  -0.646  13.245
  199    HB3  LEU  26           HB3      LEU  26  -7.510  -0.129  14.648
  200    HG   LEU  26           HG       LEU  26  -8.850   1.649  13.890
  201   HD11  LEU  26          HD11      LEU  26  -6.548   2.309  14.632
  202   HD12  LEU  26          HD12      LEU  26  -6.086   2.439  12.918
  203   HD13  LEU  26          HD13      LEU  26  -7.351   3.483  13.579
  204   HD21  LEU  26          HD21      LEU  26  -8.793   2.600  11.628
  205   HD22  LEU  26          HD22      LEU  26  -7.540   1.454  11.143
  206   HD23  LEU  26          HD23      LEU  26  -9.169   0.873  11.544
  207    H    TYR  27           H        TYR  27  -4.263   0.804  12.035
  208    HA   TYR  27           HA       TYR  27  -2.461   0.222  14.248
  209    HB2  TYR  27           HB2      TYR  27  -1.998   0.599  11.692
  210    HB3  TYR  27           HB3      TYR  27  -1.977   2.279  12.091
  211    HD1  TYR  27           HD2      TYR  27  -0.536  -0.920  13.543
  212    HD2  TYR  27           HD1      TYR  27   0.233   3.120  12.272
  213    HE1  TYR  27           HE2      TYR  27   1.882  -1.260  13.909
  214    HE2  TYR  27           HE1      TYR  27   2.652   2.782  12.604
  215    HH   TYR  27           HH       TYR  27   4.304   1.275  13.125
  216    H    ILE  28           H        ILE  28  -3.323   1.067  16.174
  217    HA   ILE  28           HA       ILE  28  -4.123   3.910  16.312
  218    HB   ILE  28           HB       ILE  28  -4.527   3.467  18.724
  219   HG12  ILE  28          HG12      ILE  28  -4.115   0.513  18.188
  220   HG13  ILE  28          HG13      ILE  28  -2.802   1.513  18.815
  221   HG21  ILE  28          HG21      ILE  28  -6.567   2.263  18.341
  222   HG22  ILE  28          HG22      ILE  28  -6.242   3.263  16.931
  223   HG23  ILE  28          HG23      ILE  28  -5.923   1.515  16.858
  224   HD11  ILE  28          HD11      ILE  28  -5.506   1.266  20.183
  225   HD12  ILE  28          HD12      ILE  28  -4.046   0.360  20.618
  226   HD13  ILE  28          HD13      ILE  28  -4.074   2.127  20.778
  227    H    GLY  29           H        GLY  29  -1.137   2.301  16.817
  228    HA2  GLY  29           HA2      GLY  29   0.149   4.836  17.551
  229    HA3  GLY  29           HA3      GLY  29   0.243   3.590  18.787
  230    H    ASP  30           H        ASP  30   2.609   4.197  18.081
  231    HA   ASP  30           HA       ASP  30   3.590   3.022  15.662
  232    HB2  ASP  30           HB2      ASP  30   4.722   4.881  16.752
  233    HB3  ASP  30           HB3      ASP  30   5.028   3.909  18.191
  234    H    GLY  31           H        GLY  31   2.903   0.936  15.551
  235    HA2  GLY  31           HA2      GLY  31   3.408  -1.364  15.597
  236    HA3  GLY  31           HA3      GLY  31   4.279  -1.163  17.127
  237    H    TYR  32           H        TYR  32   1.410   0.481  17.543
  238    HA   TYR  32           HA       TYR  32   0.207  -1.827  19.016
  239    HB2  TYR  32           HB2      TYR  32  -0.197   1.171  19.288
  240    HB3  TYR  32           HB3      TYR  32  -1.049  -0.049  20.221
  241    HD1  TYR  32           HD1      TYR  32   0.184  -1.521  21.831
  242    HD2  TYR  32           HD2      TYR  32   2.078   1.812  19.856
  243    HE1  TYR  32           HE1      TYR  32   2.007  -1.552  23.527
  244    HE2  TYR  32           HE2      TYR  32   3.894   1.798  21.551
  245    HH   TYR  32           HH       TYR  32   4.729   0.784  23.446
  246    H    VAL  33           H        VAL  33  -1.886  -2.561  18.654
  247    HA   VAL  33           HA       VAL  33  -3.456  -1.227  16.509
  248    HB   VAL  33           HB       VAL  33  -3.922  -3.463  15.481
  249   HG11  VAL  33          HG11      VAL  33  -1.016  -2.572  15.368
  250   HG12  VAL  33          HG12      VAL  33  -1.835  -3.625  14.200
  251   HG13  VAL  33          HG13      VAL  33  -2.378  -1.955  14.396
  252   HG21  VAL  33          HG21      VAL  33  -3.201  -4.944  17.341
  253   HG22  VAL  33          HG22      VAL  33  -2.385  -5.326  15.811
  254   HG23  VAL  33          HG23      VAL  33  -1.520  -4.433  17.075
  255    H    ILE  34           H        ILE  34  -5.579  -1.707  16.303
  256    HA   ILE  34           HA       ILE  34  -6.981  -3.175  18.537
  257    HB   ILE  34           HB       ILE  34  -7.957  -0.908  16.751
  258   HG12  ILE  34          HG12      ILE  34  -6.465  -0.159  18.556
  259   HG13  ILE  34          HG13      ILE  34  -8.104   0.466  18.698
  260   HG21  ILE  34          HG21      ILE  34 -10.040  -0.976  18.178
  261   HG22  ILE  34          HG22      ILE  34  -9.841  -2.349  17.087
  262   HG23  ILE  34          HG23      ILE  34  -9.479  -2.542  18.811
  263   HD11  ILE  34          HD11      ILE  34  -8.511  -1.311  20.476
  264   HD12  ILE  34          HD12      ILE  34  -6.763  -1.658  20.379
  265   HD13  ILE  34          HD13      ILE  34  -7.340  -0.056  20.894
  266    H    HIS  35           H        HIS  35  -8.320  -4.896  17.850
  267    HA   HIS  35           HA       HIS  35  -8.699  -5.386  14.944
  268    HB2  HIS  35           HB2      HIS  35  -7.352  -7.484  15.084
  269    HB3  HIS  35           HB3      HIS  35  -6.395  -6.034  15.286
  270    HD1  HIS  35           HD1      HIS  35  -7.243  -9.206  17.181
  271    HD2  HIS  35           HD2      HIS  35  -5.561  -5.415  17.855
  272    HE1  HIS  35           HE1      HIS  35  -6.074  -9.329  19.436
  273    H    LEU  36           H        LEU  36 -10.477  -6.676  14.514
  274    HA   LEU  36           HA       LEU  36 -12.018  -7.722  16.799
  275    HB2  LEU  36           HB2      LEU  36 -13.118  -6.456  14.957
  276    HB3  LEU  36           HB3      LEU  36 -12.596  -7.686  13.808
  277    HG   LEU  36           HG       LEU  36 -13.914  -9.337  15.428
  278   HD11  LEU  36          HD11      LEU  36 -14.289  -7.510  17.139
  279   HD12  LEU  36          HD12      LEU  36 -15.378  -6.724  15.983
  280   HD13  LEU  36          HD13      LEU  36 -15.758  -8.339  16.620
  281   HD21  LEU  36          HD21      LEU  36 -16.003  -8.914  14.164
  282   HD22  LEU  36          HD22      LEU  36 -15.315  -7.399  13.556
  283   HD23  LEU  36          HD23      LEU  36 -14.570  -8.943  13.119
  284    H    ALA  37           H        ALA  37 -11.528  -9.685  17.580
  285    HA   ALA  37           HA       ALA  37 -10.303 -11.805  15.980
  286    HB1  ALA  37           HB1      ALA  37 -11.619 -11.840  18.727
  287    HB2  ALA  37           HB2      ALA  37 -10.713 -13.186  18.000
  288    HB3  ALA  37           HB3      ALA  37  -9.880 -11.666  18.378
  289    HA   PRO  38           HA       PRO  38 -14.266 -12.531  14.076
  290    HB2  PRO  38           HB2      PRO  38 -13.681 -14.630  12.395
  291    HB3  PRO  38           HB3      PRO  38 -13.070 -12.968  12.144
  292    HG2  PRO  38           HG2      PRO  38 -11.659 -15.292  13.499
  293    HG3  PRO  38           HG3      PRO  38 -11.025 -14.218  12.213
  294    HD2  PRO  38           HD2      PRO  38 -10.462 -13.776  14.834
  295    HD3  PRO  38           HD3      PRO  38 -10.770 -12.414  13.720
  296    HA   PRO  39           HA       PRO  39 -16.261 -15.834  16.283
  297    HB2  PRO  39           HB2      PRO  39 -18.603 -16.152  14.976
  298    HB3  PRO  39           HB3      PRO  39 -18.169 -14.598  15.753
  299    HG2  PRO  39           HG2      PRO  39 -17.950 -15.360  12.830
  300    HG3  PRO  39           HG3      PRO  39 -18.592 -13.843  13.541
  301    HD2  PRO  39           HD2      PRO  39 -15.990 -14.208  12.588
  302    HD3  PRO  39           HD3      PRO  39 -16.441 -12.976  13.786
  303    H    SER  40           H        SER  40 -17.016 -18.041  16.210
  304    HA   SER  40           HA       SER  40 -16.753 -19.719  13.801
  305    HB2  SER  40           HB2      SER  40 -14.916 -20.073  16.205
  306    HB3  SER  40           HB3      SER  40 -15.106 -21.247  14.883
  307    HG   SER  40           HG       SER  40 -14.580 -18.632  14.148
  308    H    GLU  41           H        GLU  41 -16.506 -22.071  15.958
  309    HA   GLU  41           HA       GLU  41 -18.955 -21.972  17.446
  310    HB2  GLU  41           HB2      GLU  41 -20.276 -23.589  16.219
  311    HB3  GLU  41           HB3      GLU  41 -19.959 -22.214  15.182
  312    HG2  GLU  41           HG2      GLU  41 -18.107 -23.506  14.079
  313    HG3  GLU  41           HG3      GLU  41 -18.513 -24.900  15.088
  314    H    TYR  42           H        TYR  42 -19.549 -24.224  18.246
  315    HA   TYR  42           HA       TYR  42 -17.404 -26.231  18.227
  316    HB2  TYR  42           HB2      TYR  42 -16.846 -24.916  20.176
  317    HB3  TYR  42           HB3      TYR  42 -18.501 -24.947  20.754
  318    HD1  TYR  42           HD2      TYR  42 -15.403 -26.926  20.340
  319    HD2  TYR  42           HD1      TYR  42 -19.427 -26.910  21.885
  320    HE1  TYR  42           HE2      TYR  42 -14.912 -28.994  21.628
  321    HE2  TYR  42           HE1      TYR  42 -18.944 -28.975  23.181
  322    HH   TYR  42           HH       TYR  42 -15.736 -30.574  23.075
  323    HA   PRO  43           HA       PRO  43 -20.964 -28.755  17.476
  324    HB2  PRO  43           HB2      PRO  43 -19.552 -30.899  19.084
  325    HB3  PRO  43           HB3      PRO  43 -20.368 -31.032  17.495
  326    HG2  PRO  43           HG2      PRO  43 -17.678 -30.833  17.624
  327    HG3  PRO  43           HG3      PRO  43 -18.576 -29.867  16.407
  328    HD2  PRO  43           HD2      PRO  43 -17.492 -28.985  19.087
  329    HD3  PRO  43           HD3      PRO  43 -17.400 -28.165  17.499
  330    H    GLY  44           H        GLY  44 -22.875 -28.431  18.431
  331    HA2  GLY  44           HA2      GLY  44 -24.607 -28.637  19.918
  332    HA3  GLY  44           HA3      GLY  44 -23.541 -29.492  21.061
  333    H    ALA  45           H        ALA  45 -22.238 -26.516  20.178
  334    HA   ALA  45           HA       ALA  45 -22.480 -25.348  22.761
  335    HB1  ALA  45           HB1      ALA  45 -20.681 -24.744  21.245
  336    HB2  ALA  45           HB2      ALA  45 -21.835 -24.028  20.095
  337    HB3  ALA  45           HB3      ALA  45 -21.593 -23.296  21.698
  338    H    GLY  46           H        GLY  46 -23.905 -24.016  23.714
  339    HA2  GLY  46           HA2      GLY  46 -25.835 -22.826  24.154
  340    HA3  GLY  46           HA3      GLY  46 -25.874 -22.364  22.441
  341    H    SER  47           H        SER  47 -25.882 -25.760  22.906
  342    HA   SER  47           HA       SER  47 -28.840 -25.888  22.344
  343    HB2  SER  47           HB2      SER  47 -26.675 -27.430  20.871
  344    HB3  SER  47           HB3      SER  47 -28.401 -27.360  20.503
  345    HG   SER  47           HG       SER  47 -26.505 -25.222  20.310
  346    H    SER  48           H        SER  48 -25.953 -27.851  23.337
  347    HA   SER  48           HA       SER  48 -27.655 -29.536  25.066
  348    HB2  SER  48           HB2      SER  48 -27.047 -31.611  23.837
  349    HB3  SER  48           HB3      SER  48 -28.116 -30.538  22.926
  350    HG   SER  48           HG       SER  48 -26.413 -31.348  21.627
  351    H    SER  49           H        SER  49 -24.393 -29.535  23.493
  352    HA   SER  49           HA       SER  49 -23.239 -31.136  25.580
  353    HB2  SER  49           HB2      SER  49 -21.143 -30.746  24.311
  354    HB3  SER  49           HB3      SER  49 -22.493 -31.190  23.247
  355    HG   SER  49           HG       SER  49 -21.436 -29.400  22.355
  356    H    VAL  50           H        VAL  50 -23.234 -27.674  25.014
  357    HA   VAL  50           HA       VAL  50 -22.209 -26.950  27.631
  358    HB   VAL  50           HB       VAL  50 -20.103 -27.662  26.489
  359   HG11  VAL  50          HG11      VAL  50 -20.694 -27.063  24.143
  360   HG12  VAL  50          HG12      VAL  50 -20.594 -25.347  24.565
  361   HG13  VAL  50          HG13      VAL  50 -19.149 -26.373  24.652
  362   HG21  VAL  50          HG21      VAL  50 -18.765 -25.751  27.070
  363   HG22  VAL  50          HG22      VAL  50 -20.149 -24.658  26.940
  364   HG23  VAL  50          HG23      VAL  50 -20.100 -25.880  28.233
  365    H    PHE  51           H        PHE  51 -22.538 -24.757  28.083
  366    HA   PHE  51           HA       PHE  51 -23.879 -23.136  25.947
  367    HB2  PHE  51           HB2      PHE  51 -24.562 -23.442  28.901
  368    HB3  PHE  51           HB3      PHE  51 -25.336 -22.313  27.801
  369    HD1  PHE  51           HD2      PHE  51 -24.908 -25.934  28.585
  370    HD2  PHE  51           HD1      PHE  51 -27.013 -23.016  26.206
  371    HE1  PHE  51           HE2      PHE  51 -26.499 -27.685  27.842
  372    HE2  PHE  51           HE1      PHE  51 -28.617 -24.768  25.484
  373    HZ   PHE  51           HZ       PHE  51 -28.355 -27.107  26.288
  374    H    SER  52           H        SER  52 -21.175 -23.125  28.013
  375    HA   SER  52           HA       SER  52 -21.094 -20.219  28.443
  376    HB2  SER  52           HB2      SER  52 -18.983 -20.825  29.641
  377    HB3  SER  52           HB3      SER  52 -20.423 -21.670  30.227
  378    HG   SER  52           HG       SER  52 -18.580 -23.061  29.937
  379    H    VAL  53           H        VAL  53 -20.357 -21.993  25.725
  380    HA   VAL  53           HA       VAL  53 -17.717 -21.008  25.063
  381    HB   VAL  53           HB       VAL  53 -19.882 -22.245  23.332
  382   HG11  VAL  53          HG11      VAL  53 -18.107 -22.564  21.598
  383   HG12  VAL  53          HG12      VAL  53 -18.528 -20.869  21.817
  384   HG13  VAL  53          HG13      VAL  53 -17.030 -21.507  22.532
  385   HG21  VAL  53          HG21      VAL  53 -18.393 -24.201  23.349
  386   HG22  VAL  53          HG22      VAL  53 -17.214 -23.323  24.348
  387   HG23  VAL  53          HG23      VAL  53 -18.804 -23.740  25.006
  388    H    LEU  54           H        LEU  54 -17.243 -18.976  24.789
  389    HA   LEU  54           HA       LEU  54 -19.109 -16.964  23.785
  390    HB2  LEU  54           HB2      LEU  54 -17.497 -16.560  25.607
  391    HB3  LEU  54           HB3      LEU  54 -16.148 -16.897  24.517
  392    HG   LEU  54           HG       LEU  54 -16.669 -14.881  23.199
  393   HD11  LEU  54          HD11      LEU  54 -18.892 -14.392  25.238
  394   HD12  LEU  54          HD12      LEU  54 -18.333 -13.232  24.012
  395   HD13  LEU  54          HD13      LEU  54 -19.124 -14.724  23.509
  396   HD21  LEU  54          HD21      LEU  54 -15.135 -14.740  25.125
  397   HD22  LEU  54          HD22      LEU  54 -16.024 -13.226  24.892
  398   HD23  LEU  54          HD23      LEU  54 -16.500 -14.342  26.193
  399    H    SER  55           H        SER  55 -16.645 -18.990  22.355
  400    HA   SER  55           HA       SER  55 -15.652 -17.461  20.301
  401    HB2  SER  55           HB2      SER  55 -16.222 -20.442  20.137
  402    HB3  SER  55           HB3      SER  55 -14.945 -19.539  19.300
  403    HG   SER  55           HG       SER  55 -14.129 -20.595  21.161
  404    H    ASN  56           H        ASN  56 -18.937 -18.624  20.322
  405    HA   ASN  56           HA       ASN  56 -19.298 -18.499  17.440
  406    HB2  ASN  56           HB2      ASN  56 -20.705 -19.811  19.116
  407    HB3  ASN  56           HB3      ASN  56 -21.398 -18.246  19.603
  408   HD21  ASN  56          HD22      ASN  56 -20.611 -19.756  16.355
  409   HD22  ASN  56          HD21      ASN  56 -22.246 -19.555  15.751
  410    H    SER  57           H        SER  57 -18.854 -16.066  19.791
  411    HA   SER  57           HA       SER  57 -19.989 -13.996  17.954
  412    HB2  SER  57           HB2      SER  57 -19.412 -13.725  20.922
  413    HB3  SER  57           HB3      SER  57 -20.119 -12.498  19.843
  414    HG   SER  57           HG       SER  57 -21.678 -13.711  21.119
  415    H    ALA  58           H        ALA  58 -18.671 -12.033  17.700
  416    HA   ALA  58           HA       ALA  58 -15.740 -12.568  17.812
  417    HB1  ALA  58           HB1      ALA  58 -16.754 -12.036  15.644
  418    HB2  ALA  58           HB2      ALA  58 -17.433 -10.544  16.283
  419    HB3  ALA  58           HB3      ALA  58 -15.677 -10.725  16.145
  420    H    GLU  59           H        GLU  59 -14.302 -10.800  18.486
  421    HA   GLU  59           HA       GLU  59 -15.512  -8.783  20.307
  422    HB2  GLU  59           HB2      GLU  59 -14.888 -10.864  21.633
  423    HB3  GLU  59           HB3      GLU  59 -13.192 -10.518  21.218
  424    HG2  GLU  59           HG2      GLU  59 -13.379  -8.315  22.335
  425    HG3  GLU  59           HG3      GLU  59 -15.092  -8.593  22.651
  426    H    VAL  60           H        VAL  60 -14.539  -6.861  20.308
  427    HA   VAL  60           HA       VAL  60 -12.252  -6.356  18.512
  428    HB   VAL  60           HB       VAL  60 -13.808  -4.404  20.262
  429   HG11  VAL  60          HG11      VAL  60 -11.541  -3.590  19.679
  430   HG12  VAL  60          HG12      VAL  60 -11.832  -3.968  17.973
  431   HG13  VAL  60          HG13      VAL  60 -12.766  -2.690  18.789
  432   HG21  VAL  60          HG21      VAL  60 -14.881  -3.698  18.138
  433   HG22  VAL  60          HG22      VAL  60 -14.081  -5.035  17.290
  434   HG23  VAL  60          HG23      VAL  60 -15.295  -5.362  18.550
  435    H    LYS  61           H        LYS  61 -10.302  -6.694  19.235
  436    HA   LYS  61           HA       LYS  61  -9.587  -6.389  22.134
  437    HB2  LYS  61           HB2      LYS  61  -8.956  -8.477  20.015
  438    HB3  LYS  61           HB3      LYS  61  -7.953  -8.309  21.464
  439    HG2  LYS  61           HG2      LYS  61  -9.724  -8.828  22.936
  440    HG3  LYS  61           HG3      LYS  61 -10.972  -8.651  21.691
  441    HD2  LYS  61           HD2      LYS  61 -10.333 -10.603  20.553
  442    HD3  LYS  61           HD3      LYS  61  -8.814 -10.773  21.459
  443    HE2  LYS  61           HE2      LYS  61 -11.655 -11.125  22.543
  444    HE3  LYS  61           HE3      LYS  61 -10.543 -12.426  22.115
  445    HZ1  LYS  61           HZ1      LYS  61 -10.487 -12.066  24.474
  446    HZ2  LYS  61           HZ2      LYS  61  -9.039 -11.584  23.881
  447    HZ3  LYS  61           HZ3      LYS  61 -10.182 -10.478  24.318
  448    H    ARG  62           H        ARG  62  -7.094  -6.362  22.350
  449    HA   ARG  62           HA       ARG  62  -5.833  -4.453  20.464
  450    HB2  ARG  62           HB2      ARG  62  -5.380  -2.816  22.169
  451    HB3  ARG  62           HB3      ARG  62  -7.102  -3.129  22.090
  452    HG2  ARG  62           HG2      ARG  62  -6.892  -3.082  24.348
  453    HG3  ARG  62           HG3      ARG  62  -6.608  -4.800  24.109
  454    HD2  ARG  62           HD2      ARG  62  -4.067  -4.198  24.107
  455    HD3  ARG  62           HD3      ARG  62  -4.567  -2.583  24.589
  456    HE   ARG  62           HE       ARG  62  -5.068  -3.339  26.703
  457   HH11  ARG  62          HH11      ARG  62  -4.573  -6.255  24.709
  458   HH12  ARG  62          HH12      ARG  62  -4.481  -7.275  26.113
  459   HH21  ARG  62          HH21      ARG  62  -4.962  -4.735  28.434
  460   HH22  ARG  62          HH22      ARG  62  -4.716  -6.434  28.183
  461    H    GLU  63           H        GLU  63  -3.634  -4.472  20.454
  462    HA   GLU  63           HA       GLU  63  -1.783  -5.015  22.350
  463    HB2  GLU  63           HB2      GLU  63  -0.839  -7.179  21.995
  464    HB3  GLU  63           HB3      GLU  63  -2.443  -7.323  22.627
  465    HG2  GLU  63           HG2      GLU  63  -3.238  -7.785  20.239
  466    HG3  GLU  63           HG3      GLU  63  -1.536  -7.876  19.781
  467    H    ARG  64           H        ARG  64   0.241  -6.263  20.712
  468    HA   ARG  64           HA       ARG  64   0.615  -3.998  18.846
  469    HB2  ARG  64           HB2      ARG  64   2.559  -5.947  20.108
  470    HB3  ARG  64           HB3      ARG  64   3.009  -4.796  18.840
  471    HG2  ARG  64           HG2      ARG  64   2.179  -2.914  20.226
  472    HG3  ARG  64           HG3      ARG  64   1.738  -4.041  21.510
  473    HD2  ARG  64           HD2      ARG  64   3.897  -2.939  21.998
  474    HD3  ARG  64           HD3      ARG  64   4.093  -4.681  21.806
  475    HE   ARG  64           HE       ARG  64   5.372  -4.375  19.894
  476   HH11  ARG  64          HH21      ARG  64   3.933  -1.197  20.581
  477   HH12  ARG  64          HH22      ARG  64   4.901  -0.428  19.358
  478   HH21  ARG  64          HH11      ARG  64   6.501  -3.433  18.468
  479   HH22  ARG  64          HH12      ARG  64   6.473  -1.694  18.194
  480    H    LEU  65           H        LEU  65   1.376  -4.152  16.814
  481    HA   LEU  65           HA       LEU  65   0.102  -5.861  15.007
  482    HB2  LEU  65           HB2      LEU  65   1.120  -3.650  14.493
  483    HB3  LEU  65           HB3      LEU  65   2.732  -4.307  14.755
  484    HG   LEU  65           HG       LEU  65   2.353  -5.892  12.806
  485   HD11  LEU  65          HD11      LEU  65  -0.130  -4.169  12.433
  486   HD12  LEU  65          HD12      LEU  65   0.518  -5.299  11.221
  487   HD13  LEU  65          HD13      LEU  65  -0.119  -5.909  12.758
  488   HD21  LEU  65          HD21      LEU  65   3.647  -3.844  12.541
  489   HD22  LEU  65          HD22      LEU  65   2.651  -4.114  11.098
  490   HD23  LEU  65          HD23      LEU  65   2.160  -2.903  12.302
  491    H    GLU  66           H        GLU  66   3.531  -6.078  16.072
  492    HA   GLU  66           HA       GLU  66   4.239  -8.387  14.713
  493    HB2  GLU  66           HB2      GLU  66   6.076  -8.566  16.308
  494    HB3  GLU  66           HB3      GLU  66   5.781  -6.885  15.873
  495    HG2  GLU  66           HG2      GLU  66   4.379  -6.745  18.069
  496    HG3  GLU  66           HG3      GLU  66   5.145  -8.277  18.499
  497    H    ASP  67           H        ASP  67   2.272  -8.271  17.683
  498    HA   ASP  67           HA       ASP  67   2.414 -11.195  18.086
  499    HB2  ASP  67           HB2      ASP  67   0.763  -9.017  19.430
  500    HB3  ASP  67           HB3      ASP  67   0.742 -10.726  19.858
  501    H    VAL  68           H        VAL  68   0.011  -8.755  16.991
  502    HA   VAL  68           HA       VAL  68  -2.017 -10.645  16.324
  503    HB   VAL  68           HB       VAL  68  -1.580  -7.924  15.061
  504   HG11  VAL  68          HG11      VAL  68  -4.017  -8.043  14.518
  505   HG12  VAL  68          HG12      VAL  68  -3.124  -9.307  13.666
  506   HG13  VAL  68          HG13      VAL  68  -4.068  -9.719  15.102
  507   HG21  VAL  68          HG21      VAL  68  -1.889  -7.724  17.463
  508   HG22  VAL  68          HG22      VAL  68  -3.405  -7.274  16.683
  509   HG23  VAL  68          HG23      VAL  68  -3.249  -8.867  17.438
  510    H    VAL  69           H        VAL  69   0.764  -9.565  14.450
  511    HA   VAL  69           HA       VAL  69  -0.068 -11.018  12.045
  512    HB   VAL  69           HB       VAL  69   2.461  -9.518  12.802
  513   HG11  VAL  69          HG11      VAL  69   1.671 -10.652  10.090
  514   HG12  VAL  69          HG12      VAL  69   3.044  -9.555  10.412
  515   HG13  VAL  69          HG13      VAL  69   3.052 -11.185  11.081
  516   HG21  VAL  69          HG21      VAL  69   1.574  -7.773  11.357
  517   HG22  VAL  69          HG22      VAL  69   0.207  -8.803  10.870
  518   HG23  VAL  69          HG23      VAL  69   0.308  -8.202  12.527
  519    H    GLY  70           H        GLY  70   2.531 -11.490  14.566
  520    HA2  GLY  70           HA2      GLY  70   3.814 -13.357  15.049
  521    HA3  GLY  70           HA3      GLY  70   2.593 -14.355  14.234
  522    H    GLY  71           H        GLY  71   3.449 -15.496  12.634
  523    HA2  GLY  71           HA2      GLY  71   5.725 -14.491  10.991
  524    HA3  GLY  71           HA3      GLY  71   5.089 -16.146  11.045
  525    H    CYS  72           H        CYS  72   2.403 -14.157  10.736
  526    HA   CYS  72           HA       CYS  72   1.923 -15.133   8.069
  527    HB2  CYS  72           HB2      CYS  72   0.352 -13.167   9.811
  528    HB3  CYS  72           HB3      CYS  72  -0.263 -13.940   8.354
  529    HG   CYS  72           HG       CYS  72   0.062 -16.434   9.158
  530    H    CYS  73           H        CYS  73   1.140 -13.890   6.263
  531    HA   CYS  73           HA       CYS  73   2.729 -11.492   5.628
  532    HB2  CYS  73           HB2      CYS  73   0.601 -13.035   4.057
  533    HB3  CYS  73           HB3      CYS  73   1.562 -11.688   3.422
  534    HG   CYS  73           HG       CYS  73   2.527 -13.950   2.479
  535    H    TYR  74           H        TYR  74   1.858  -9.455   5.116
  536    HA   TYR  74           HA       TYR  74  -0.958  -8.893   5.445
  537    HB2  TYR  74           HB2      TYR  74  -0.936  -7.482   7.311
  538    HB3  TYR  74           HB3      TYR  74  -0.085  -8.915   7.833
  539    HD1  TYR  74           HD1      TYR  74   2.428  -8.819   8.157
  540    HD2  TYR  74           HD2      TYR  74   0.097  -5.325   7.197
  541    HE1  TYR  74           HE1      TYR  74   4.284  -7.367   8.947
  542    HE2  TYR  74           HE2      TYR  74   1.952  -3.863   7.967
  543    HH   TYR  74           HH       TYR  74   4.998  -5.199   9.294
  544    H    ARG  75           H        ARG  75  -1.475  -6.560   5.117
  545    HA   ARG  75           HA       ARG  75   0.538  -4.742   4.065
  546    HB2  ARG  75           HB2      ARG  75  -0.120  -6.452   2.155
  547    HB3  ARG  75           HB3      ARG  75  -1.653  -5.610   2.122
  548    HG2  ARG  75           HG2      ARG  75  -0.240  -4.798   0.365
  549    HG3  ARG  75           HG3      ARG  75  -0.435  -3.493   1.532
  550    HD2  ARG  75           HD2      ARG  75   1.814  -3.952   2.448
  551    HD3  ARG  75           HD3      ARG  75   1.973  -5.366   1.388
  552    HE   ARG  75           HE       ARG  75   1.408  -3.117  -0.237
  553   HH11  ARG  75          HH11      ARG  75   4.091  -4.192   1.825
  554   HH12  ARG  75          HH12      ARG  75   5.282  -3.439   0.800
  555   HH21  ARG  75          HH21      ARG  75   2.999  -2.139  -1.477
  556   HH22  ARG  75          HH22      ARG  75   4.668  -2.264  -1.020
  557    H    VAL  76           H        VAL  76  -0.461  -2.537   3.636
  558    HA   VAL  76           HA       VAL  76  -2.974  -2.161   5.163
  559    HB   VAL  76           HB       VAL  76  -1.086  -0.173   3.915
  560   HG11  VAL  76          HG11      VAL  76  -3.331   0.783   3.569
  561   HG12  VAL  76          HG12      VAL  76  -3.752   0.495   5.268
  562   HG13  VAL  76          HG13      VAL  76  -2.472   1.639   4.844
  563   HG21  VAL  76          HG21      VAL  76  -0.867   0.560   6.274
  564   HG22  VAL  76          HG22      VAL  76  -2.009  -0.701   6.776
  565   HG23  VAL  76          HG23      VAL  76  -0.436  -1.148   6.077
  566    H    ASN  77           H        ASN  77  -4.931  -1.886   4.298
  567    HA   ASN  77           HA       ASN  77  -5.277  -2.496   1.449
  568    HB2  ASN  77           HB2      ASN  77  -6.632  -3.598   3.117
  569    HB3  ASN  77           HB3      ASN  77  -7.281  -2.061   3.696
  570   HD21  ASN  77          HD22      ASN  77  -7.587  -4.574   1.279
  571   HD22  ASN  77          HD21      ASN  77  -8.845  -3.777   0.336
  572    H    ASN  78           H        ASN  78  -6.800   0.046   3.408
  573    HA   ASN  78           HA       ASN  78  -7.411   2.187   3.049
  574    HB2  ASN  78           HB2      ASN  78  -4.907   2.294   2.855
  575    HB3  ASN  78           HB3      ASN  78  -5.084   2.348   1.098
  576   HD21  ASN  78          HD22      ASN  78  -5.657   4.068   4.164
  577   HD22  ASN  78          HD21      ASN  78  -5.845   5.647   3.408
  578    H    SER  79           H        SER  79  -8.282  -0.013   0.806
  579    HA   SER  79           HA       SER  79  -8.664   1.500  -1.564
  580    HB2  SER  79           HB2      SER  79 -10.130  -0.993  -0.631
  581    HB3  SER  79           HB3      SER  79 -10.106  -0.347  -2.283
  582    HG   SER  79           HG       SER  79  -8.531  -1.957  -2.081
  583    H    LEU  80           H        LEU  80 -10.876   1.009   1.185
  584    HA   LEU  80           HA       LEU  80 -13.093   2.486  -0.030
  585    HB2  LEU  80           HB2      LEU  80 -12.390   1.806   2.869
  586    HB3  LEU  80           HB3      LEU  80 -13.861   2.647   2.387
  587    HG   LEU  80           HG       LEU  80 -13.099  -0.191   1.573
  588   HD11  LEU  80          HD11      LEU  80 -14.941  -0.850   3.055
  589   HD12  LEU  80          HD12      LEU  80 -13.739   0.087   3.957
  590   HD13  LEU  80          HD13      LEU  80 -15.269   0.845   3.462
  591   HD21  LEU  80          HD21      LEU  80 -14.424   0.828  -0.232
  592   HD22  LEU  80          HD22      LEU  80 -15.454  -0.276   0.683
  593   HD23  LEU  80          HD23      LEU  80 -15.582   1.477   0.943
  594    H    ASP  81           H        ASP  81 -10.333   3.400   2.008
  595    HA   ASP  81           HA       ASP  81 -11.136   6.111   2.399
  596    HB2  ASP  81           HB2      ASP  81  -8.368   4.869   2.338
  597    HB3  ASP  81           HB3      ASP  81  -8.777   6.446   3.024
  598    H    HIS  82           H        HIS  82  -9.044   4.606  -0.061
  599    HA   HIS  82           HA       HIS  82  -8.581   6.833  -1.754
  600    HB2  HIS  82           HB2      HIS  82  -7.653   4.390  -1.737
  601    HB3  HIS  82           HB3      HIS  82  -9.099   3.974  -2.660
  602    HD1  HIS  82           HD1      HIS  82  -9.034   6.484  -4.701
  603    HD2  HIS  82           HD2      HIS  82  -5.800   4.068  -3.523
  604    HE1  HIS  82           HE1      HIS  82  -7.298   6.650  -6.571
  605    H    GLU  83           H        GLU  83 -11.546   4.979  -1.262
  606    HA   GLU  83           HA       GLU  83 -12.772   5.732  -3.777
  607    HB2  GLU  83           HB2      GLU  83 -13.178   3.604  -2.341
  608    HB3  GLU  83           HB3      GLU  83 -14.242   4.637  -1.383
  609    HG2  GLU  83           HG2      GLU  83 -15.537   3.440  -2.980
  610    HG3  GLU  83           HG3      GLU  83 -15.545   5.142  -3.433
  611    H    TYR  84           H        TYR  84 -12.733   7.004  -0.490
  612    HA   TYR  84           HA       TYR  84 -14.824   9.040  -1.219
  613    HB2  TYR  84           HB2      TYR  84 -14.261   8.017   1.558
  614    HB3  TYR  84           HB3      TYR  84 -15.655   8.905   0.988
  615    HD1  TYR  84           HD2      TYR  84 -16.772   7.470  -1.231
  616    HD2  TYR  84           HD1      TYR  84 -14.774   5.905   2.249
  617    HE1  TYR  84           HE2      TYR  84 -17.983   5.310  -1.503
  618    HE2  TYR  84           HE1      TYR  84 -15.973   3.768   2.008
  619    HH   TYR  84           HH       TYR  84 -17.517   2.563   0.754
  620    H    GLN  85           H        GLN  85 -11.813   8.745   0.794
  621    HA   GLN  85           HA       GLN  85 -12.283  11.555   1.645
  622    HB2  GLN  85           HB2      GLN  85 -12.397  10.781   3.923
  623    HB3  GLN  85           HB3      GLN  85 -13.601   9.990   2.900
  624    HG2  GLN  85           HG2      GLN  85 -12.242   7.936   2.824
  625    HG3  GLN  85           HG3      GLN  85 -10.986   8.705   3.804
  626   HE21  GLN  85          HE22      GLN  85 -11.446   6.707   5.206
  627   HE22  GLN  85          HE21      GLN  85 -12.689   7.026   6.440
  628    HA   PRO  86           HA       PRO  86  -7.841  11.890   2.345
  629    HB2  PRO  86           HB2      PRO  86  -7.715  14.158   3.822
  630    HB3  PRO  86           HB3      PRO  86  -8.249  14.177   2.114
  631    HG2  PRO  86           HG2      PRO  86  -9.990  14.111   4.605
  632    HG3  PRO  86           HG3      PRO  86 -10.110  15.228   3.205
  633    HD2  PRO  86           HD2      PRO  86 -11.648  12.983   3.387
  634    HD3  PRO  86           HD3      PRO  86 -11.009  13.562   1.821
  635    H    ARG  87           H        ARG  87 -10.067  11.116   4.834
  636    HA   ARG  87           HA       ARG  87  -9.954  10.030   6.723
  637    HB2  ARG  87           HB2      ARG  87  -8.085   8.904   5.430
  638    HB3  ARG  87           HB3      ARG  87  -6.945   9.782   6.432
  639    HG2  ARG  87           HG2      ARG  87  -7.174   7.698   7.472
  640    HG3  ARG  87           HG3      ARG  87  -8.127   8.770   8.495
  641    HD2  ARG  87           HD2      ARG  87 -10.192   7.912   7.695
  642    HD3  ARG  87           HD3      ARG  87  -9.477   7.335   6.197
  643    HE   ARG  87           HE       ARG  87  -9.747   5.835   8.616
  644   HH11  ARG  87          HH11      ARG  87  -7.397   6.157   5.965
  645   HH12  ARG  87          HH12      ARG  87  -6.940   4.472   6.075
  646   HH21  ARG  87          HH21      ARG  87  -8.999   3.701   8.714
  647   HH22  ARG  87          HH22      ARG  87  -7.928   3.139   7.462
  648    HA   PRO  88           HA       PRO  88  -8.713  13.290   9.750
  649    HB2  PRO  88           HB2      PRO  88 -10.843  13.134  11.403
  650    HB3  PRO  88           HB3      PRO  88 -10.966  13.919   9.802
  651    HG2  PRO  88           HG2      PRO  88 -11.753  11.081  10.532
  652    HG3  PRO  88           HG3      PRO  88 -12.726  12.304   9.654
  653    HD2  PRO  88           HD2      PRO  88 -11.253  10.377   8.382
  654    HD3  PRO  88           HD3      PRO  88 -11.495  12.002   7.676
  655    H    VAL  89           H        VAL  89  -7.016  11.591   9.920
  656    HA   VAL  89           HA       VAL  89  -7.194   9.079  11.008
  657    HB   VAL  89           HB       VAL  89  -4.950  11.078  10.861
  658   HG11  VAL  89          HG11      VAL  89  -4.243   9.841  12.807
  659   HG12  VAL  89          HG12      VAL  89  -4.655   8.294  12.040
  660   HG13  VAL  89          HG13      VAL  89  -3.314   9.281  11.418
  661   HG21  VAL  89          HG21      VAL  89  -5.797   9.995   8.796
  662   HG22  VAL  89          HG22      VAL  89  -4.145   9.481   9.144
  663   HG23  VAL  89          HG23      VAL  89  -5.507   8.398   9.502
  664    H    GLU  90           H        GLU  90  -6.792  12.028  12.989
  665    HA   GLU  90           HA       GLU  90  -6.278  10.695  15.471
  666    HB2  GLU  90           HB2      GLU  90  -7.833  13.313  15.183
  667    HB3  GLU  90           HB3      GLU  90  -6.850  12.765  16.532
  668    HG2  GLU  90           HG2      GLU  90  -5.408  14.243  15.644
  669    HG3  GLU  90           HG3      GLU  90  -4.897  12.836  14.709
  670    H    VAL  91           H        VAL  91  -9.273  11.516  13.821
  671    HA   VAL  91           HA       VAL  91 -11.035  10.808  16.035
  672    HB   VAL  91           HB       VAL  91 -11.653  11.301  13.096
  673   HG11  VAL  91          HG11      VAL  91 -13.951  11.833  13.906
  674   HG12  VAL  91          HG12      VAL  91 -13.524  10.140  14.189
  675   HG13  VAL  91          HG13      VAL  91 -13.487  11.296  15.536
  676   HG21  VAL  91          HG21      VAL  91 -10.570  13.282  14.100
  677   HG22  VAL  91          HG22      VAL  91 -12.292  13.593  13.850
  678   HG23  VAL  91          HG23      VAL  91 -11.680  13.212  15.476
  679    H    ILE  92           H        ILE  92  -9.725   9.154  13.155
  680    HA   ILE  92           HA       ILE  92 -11.283   6.717  13.486
  681    HB   ILE  92           HB       ILE  92  -8.471   6.783  12.334
  682   HG12  ILE  92          HG12      ILE  92  -9.527   8.661  11.248
  683   HG13  ILE  92          HG13      ILE  92  -9.291   7.348  10.149
  684   HG21  ILE  92          HG21      ILE  92  -9.532   4.597  12.604
  685   HG22  ILE  92          HG22      ILE  92 -10.970   5.135  11.722
  686   HG23  ILE  92          HG23      ILE  92  -9.408   4.991  10.886
  687   HD11  ILE  92          HD11      ILE  92 -11.466   8.536   9.842
  688   HD12  ILE  92          HD12      ILE  92 -11.674   6.810  10.164
  689   HD13  ILE  92          HD13      ILE  92 -11.972   8.009  11.455
  690    H    ILE  93           H        ILE  93  -8.030   7.705  14.692
  691    HA   ILE  93           HA       ILE  93  -7.576   5.241  16.163
  692    HB   ILE  93           HB       ILE  93  -6.395   8.045  16.366
  693   HG12  ILE  93          HG12      ILE  93  -5.282   5.426  15.241
  694   HG13  ILE  93          HG13      ILE  93  -5.995   6.697  14.267
  695   HG21  ILE  93          HG21      ILE  93  -5.520   5.519  17.835
  696   HG22  ILE  93          HG22      ILE  93  -4.598   7.035  17.773
  697   HG23  ILE  93          HG23      ILE  93  -6.150   7.001  18.576
  698   HD11  ILE  93          HD11      ILE  93  -4.242   8.285  15.015
  699   HD12  ILE  93          HD12      ILE  93  -3.434   6.948  15.879
  700   HD13  ILE  93          HD13      ILE  93  -3.608   6.883  14.124
  701    H    SER  94           H        SER  94  -9.050   8.355  17.120
  702    HA   SER  94           HA       SER  94  -9.626   7.607  19.816
  703    HB2  SER  94           HB2      SER  94 -11.240   9.438  17.993
  704    HB3  SER  94           HB3      SER  94 -11.306   9.381  19.762
  705    HG   SER  94           HG       SER  94  -9.148  10.219  18.094
  706    H    SER  95           H        SER  95 -11.573   7.159  16.822
  707    HA   SER  95           HA       SER  95 -13.858   5.938  17.978
  708    HB2  SER  95           HB2      SER  95 -13.762   6.790  15.672
  709    HB3  SER  95           HB3      SER  95 -12.552   5.572  15.250
  710    HG   SER  95           HG       SER  95 -14.310   4.673  14.572
  711    H    ALA  96           H        ALA  96 -10.837   4.409  16.707
  712    HA   ALA  96           HA       ALA  96 -11.538   1.718  17.325
  713    HB1  ALA  96           HB1      ALA  96  -9.677   2.606  15.832
  714    HB2  ALA  96           HB2      ALA  96  -8.764   2.990  17.304
  715    HB3  ALA  96           HB3      ALA  96  -9.187   1.300  16.923
  716    H    LYS  97           H        LYS  97  -9.755   4.126  19.310
  717    HA   LYS  97           HA       LYS  97  -9.512   2.403  21.618
  718    HB2  LYS  97           HB2      LYS  97  -9.284   5.409  21.232
  719    HB3  LYS  97           HB3      LYS  97  -8.958   4.575  22.763
  720    HG2  LYS  97           HG2      LYS  97  -7.139   3.306  21.800
  721    HG3  LYS  97           HG3      LYS  97  -7.517   3.864  20.179
  722    HD2  LYS  97           HD2      LYS  97  -5.580   5.075  21.022
  723    HD3  LYS  97           HD3      LYS  97  -6.932   6.158  20.741
  724    HE2  LYS  97           HE2      LYS  97  -5.886   6.845  22.778
  725    HE3  LYS  97           HE3      LYS  97  -7.452   6.152  23.195
  726    HZ1  LYS  97           HZ1      LYS  97  -5.687   5.379  24.674
  727    HZ2  LYS  97           HZ2      LYS  97  -6.275   4.096  23.850
  728    HZ3  LYS  97           HZ3      LYS  97  -4.832   4.756  23.431
  729    H    GLU  98           H        GLU  98 -12.239   4.355  20.501
  730    HA   GLU  98           HA       GLU  98 -13.686   4.040  23.009
  731    HB2  GLU  98           HB2      GLU  98 -14.481   5.024  20.256
  732    HB3  GLU  98           HB3      GLU  98 -15.670   4.732  21.527
  733    HG2  GLU  98           HG2      GLU  98 -14.507   6.286  23.037
  734    HG3  GLU  98           HG3      GLU  98 -13.314   6.637  21.794
  735    H    MET  99           H        MET  99 -13.608   2.348  19.868
  736    HA   MET  99           HA       MET  99 -15.683   0.455  20.493
  737    HB2  MET  99           HB2      MET  99 -13.423   0.423  18.449
  738    HB3  MET  99           HB3      MET  99 -14.567  -0.902  18.630
  739    HG2  MET  99           HG2      MET  99 -16.447   0.813  18.322
  740    HG3  MET  99           HG3      MET  99 -15.194   1.951  17.838
  741    HE1  MET  99           HE1      MET  99 -17.441  -1.061  16.866
  742    HE2  MET  99           HE2      MET  99 -16.552  -1.836  15.543
  743    HE3  MET  99           HE3      MET  99 -15.922  -1.919  17.200
  744    H    VAL 100           H        VAL 100 -12.201   0.302  21.089
  745    HA   VAL 100           HA       VAL 100 -11.756  -2.310  21.475
  746    HB   VAL 100           HB       VAL 100 -10.141  -0.439  21.866
  747   HG11  VAL 100          HG11      VAL 100  -9.695   0.456  24.016
  748   HG12  VAL 100          HG12      VAL 100 -11.442   0.653  23.768
  749   HG13  VAL 100          HG13      VAL 100 -10.836  -0.642  24.817
  750   HG21  VAL 100          HG21      VAL 100  -9.543  -2.825  22.131
  751   HG22  VAL 100          HG22      VAL 100  -8.649  -1.778  23.259
  752   HG23  VAL 100          HG23      VAL 100 -10.008  -2.757  23.841
  753    H    GLY 101           H        GLY 101 -12.245  -3.981  22.626
  754    HA2  GLY 101           HA2      GLY 101 -12.850  -5.268  24.471
  755    HA3  GLY 101           HA3      GLY 101 -13.447  -3.824  25.321
  756    H    GLN 102           H        GLN 102 -14.971  -3.489  22.391
  757    HA   GLN 102           HA       GLN 102 -17.396  -4.670  23.480
  758    HB2  GLN 102           HB2      GLN 102 -18.601  -3.502  21.933
  759    HB3  GLN 102           HB3      GLN 102 -17.253  -2.425  22.283
  760    HG2  GLN 102           HG2      GLN 102 -16.213  -3.057  20.094
  761    HG3  GLN 102           HG3      GLN 102 -17.490  -4.231  19.811
  762   HE21  GLN 102          HE22      GLN 102 -17.559  -0.736  20.893
  763   HE22  GLN 102          HE21      GLN 102 -18.708  -0.291  19.642
  764    H    LYS 103           H        LYS 103 -18.834  -5.942  22.250
  765    HA   LYS 103           HA       LYS 103 -17.519  -8.138  20.712
  766    HB2  LYS 103           HB2      LYS 103 -19.988  -8.105  22.480
  767    HB3  LYS 103           HB3      LYS 103 -19.543  -9.474  21.447
  768    HG2  LYS 103           HG2      LYS 103 -17.436  -9.779  22.611
  769    HG3  LYS 103           HG3      LYS 103 -17.692  -8.316  23.576
  770    HD2  LYS 103           HD2      LYS 103 -19.688  -9.330  24.618
  771    HD3  LYS 103           HD3      LYS 103 -19.426 -10.823  23.678
  772    HE2  LYS 103           HE2      LYS 103 -17.227 -11.134  24.709
  773    HE3  LYS 103           HE3      LYS 103 -17.345  -9.578  25.534
  774    HZ1  LYS 103           HZ1      LYS 103 -19.143 -11.882  26.083
  775    HZ2  LYS 103           HZ2      LYS 103 -17.898 -11.406  27.029
  776    HZ3  LYS 103           HZ3      LYS 103 -19.192 -10.433  26.841
  777    H    MET 104           H        MET 104 -18.679  -9.129  19.010
  778    HA   MET 104           HA       MET 104 -20.652  -7.439  17.537
  779    HB2  MET 104           HB2      MET 104 -18.280  -6.792  16.922
  780    HB3  MET 104           HB3      MET 104 -18.016  -8.430  16.369
  781    HG2  MET 104           HG2      MET 104 -18.470  -6.944  14.495
  782    HG3  MET 104           HG3      MET 104 -19.714  -8.169  14.622
  783    HE1  MET 104           HE1      MET 104 -20.281  -3.710  15.752
  784    HE2  MET 104           HE2      MET 104 -19.363  -4.812  16.781
  785    HE3  MET 104           HE3      MET 104 -18.765  -4.413  15.153
  786    H    LYS 105           H        LYS 105 -22.091  -8.611  16.348
  787    HA   LYS 105           HA       LYS 105 -21.723 -11.570  16.096
  788    HB2  LYS 105           HB2      LYS 105 -23.119 -10.230  18.170
  789    HB3  LYS 105           HB3      LYS 105 -24.389 -10.783  17.100
  790    HG2  LYS 105           HG2      LYS 105 -22.173 -12.522  18.270
  791    HG3  LYS 105           HG3      LYS 105 -23.797 -12.357  18.947
  792    HD2  LYS 105           HD2      LYS 105 -24.752 -13.287  16.826
  793    HD3  LYS 105           HD3      LYS 105 -23.098 -13.554  16.227
  794    HE2  LYS 105           HE2      LYS 105 -22.612 -15.023  18.150
  795    HE3  LYS 105           HE3      LYS 105 -24.238 -14.753  18.790
  796    HZ1  LYS 105           HZ1      LYS 105 -25.162 -15.822  16.833
  797    HZ2  LYS 105           HZ2      LYS 105 -23.682 -16.006  16.152
  798    HZ3  LYS 105           HZ3      LYS 105 -24.062 -16.837  17.507
  799    H    TYR 106           H        TYR 106 -22.743  -8.766  14.478
  800    HA   TYR 106           HA       TYR 106 -25.034  -9.874  13.095
  801    HB2  TYR 106           HB2      TYR 106 -23.366  -7.397  12.547
  802    HB3  TYR 106           HB3      TYR 106 -24.871  -7.801  11.739
  803    HD1  TYR 106           HD2      TYR 106 -27.010  -8.100  13.144
  804    HD2  TYR 106           HD1      TYR 106 -23.432  -6.207  14.636
  805    HE1  TYR 106           HE2      TYR 106 -28.338  -7.000  14.932
  806    HE2  TYR 106           HE1      TYR 106 -24.753  -5.110  16.430
  807    HH   TYR 106           HH       TYR 106 -28.292  -5.601  16.755
  808    H    SER 107           H        SER 107 -25.172 -10.993  11.283
  809    HA   SER 107           HA       SER 107 -24.844 -11.851   9.221
  810    HB2  SER 107           HB2      SER 107 -24.267  -9.385   8.836
  811    HB3  SER 107           HB3      SER 107 -22.573  -9.906   8.756
  812    HG   SER 107           HG       SER 107 -24.038  -9.870   6.733
  813    H    ILE 108           H        ILE 108 -22.907 -12.477   7.579
  814    HA   ILE 108           HA       ILE 108 -21.459 -14.695   8.880
  815    HB   ILE 108           HB       ILE 108 -20.770 -15.289   6.580
  816   HG12  ILE 108          HG12      ILE 108 -22.393 -12.890   5.616
  817   HG13  ILE 108          HG13      ILE 108 -20.631 -12.969   5.637
  818   HG21  ILE 108          HG21      ILE 108 -22.932 -16.055   7.587
  819   HG22  ILE 108          HG22      ILE 108 -23.761 -14.742   6.732
  820   HG23  ILE 108          HG23      ILE 108 -22.942 -16.029   5.826
  821   HD11  ILE 108          HD11      ILE 108 -21.396 -13.446   3.409
  822   HD12  ILE 108          HD12      ILE 108 -20.707 -14.929   4.097
  823   HD13  ILE 108          HD13      ILE 108 -22.474 -14.729   3.975
  824    H    VAL 109           H        VAL 109 -19.132 -15.032   8.604
  825    HA   VAL 109           HA       VAL 109 -17.732 -13.069   9.833
  826    HB   VAL 109           HB       VAL 109 -17.025 -15.380   9.735
  827   HG11  VAL 109          HG11      VAL 109 -15.761 -14.796   7.020
  828   HG12  VAL 109          HG12      VAL 109 -15.642 -16.294   7.959
  829   HG13  VAL 109          HG13      VAL 109 -17.199 -15.808   7.279
  830   HG21  VAL 109          HG21      VAL 109 -15.494 -13.566  10.538
  831   HG22  VAL 109          HG22      VAL 109 -14.647 -15.006   9.929
  832   HG23  VAL 109          HG23      VAL 109 -14.738 -13.542   8.936
  833    H    SER 110           H        SER 110 -17.753 -13.396   6.253
  834    HA   SER 110           HA       SER 110 -15.808 -11.456   5.623
  835    HB2  SER 110           HB2      SER 110 -18.372 -12.064   4.100
  836    HB3  SER 110           HB3      SER 110 -16.893 -11.333   3.452
  837    HG   SER 110           HG       SER 110 -16.996 -13.583   3.014
  838    H    ARG 111           H        ARG 111 -19.359 -10.955   6.077
  839    HA   ARG 111           HA       ARG 111 -19.033  -8.059   5.855
  840    HB2  ARG 111           HB2      ARG 111 -21.087  -9.118   5.038
  841    HB3  ARG 111           HB3      ARG 111 -21.438  -9.703   6.661
  842    HG2  ARG 111           HG2      ARG 111 -22.795  -7.740   6.197
  843    HG3  ARG 111           HG3      ARG 111 -21.645  -7.327   7.463
  844    HD2  ARG 111           HD2      ARG 111 -20.210  -6.185   5.792
  845    HD3  ARG 111           HD3      ARG 111 -21.386  -6.588   4.519
  846    HE   ARG 111           HE       ARG 111 -22.840  -5.312   6.539
  847   HH11  ARG 111          HH11      ARG 111 -20.236  -4.376   4.310
  848   HH12  ARG 111          HH12      ARG 111 -20.687  -2.693   4.373
  849   HH21  ARG 111          HH21      ARG 111 -23.368  -3.136   6.548
  850   HH22  ARG 111          HH22      ARG 111 -22.445  -2.006   5.607
  851    H    ASN 112           H        ASN 112 -19.270 -10.395   8.509
  852    HA   ASN 112           HA       ASN 112 -19.738  -8.658  10.667
  853    HB2  ASN 112           HB2      ASN 112 -19.626 -11.192  10.649
  854    HB3  ASN 112           HB3      ASN 112 -17.864 -11.060  10.635
  855   HD21  ASN 112          HD22      ASN 112 -20.789 -10.212  12.516
  856   HD22  ASN 112          HD21      ASN 112 -19.961 -10.300  14.079
  857    H    CYS 113           H        CYS 113 -16.542  -9.527   9.270
  858    HA   CYS 113           HA       CYS 113 -15.091  -7.618  10.887
  859    HB2  CYS 113           HB2      CYS 113 -14.213  -9.141   8.384
  860    HB3  CYS 113           HB3      CYS 113 -13.168  -8.389   9.612
  861    HG   CYS 113           HG       CYS 113 -12.933 -10.814  10.195
  862    H    GLU 114           H        GLU 114 -16.297  -7.482   7.482
  863    HA   GLU 114           HA       GLU 114 -15.225  -4.933   6.826
  864    HB2  GLU 114           HB2      GLU 114 -16.196  -6.548   5.232
  865    HB3  GLU 114           HB3      GLU 114 -17.804  -6.231   5.897
  866    HG2  GLU 114           HG2      GLU 114 -17.591  -3.841   5.163
  867    HG3  GLU 114           HG3      GLU 114 -16.007  -4.226   4.471
  868    H    HIS 115           H        HIS 115 -18.408  -5.746   8.288
  869    HA   HIS 115           HA       HIS 115 -19.475  -3.145   8.618
  870    HB2  HIS 115           HB2      HIS 115 -20.732  -5.236   8.846
  871    HB3  HIS 115           HB3      HIS 115 -19.776  -5.702  10.252
  872    HD1  HIS 115           HD1      HIS 115 -21.485  -5.612  12.186
  873    HD2  HIS 115           HD2      HIS 115 -21.699  -2.334   9.558
  874    HE1  HIS 115           HE1      HIS 115 -23.259  -4.046  13.137
  875    H    PHE 116           H        PHE 116 -17.301  -5.084  10.722
  876    HA   PHE 116           HA       PHE 116 -16.956  -3.156  12.805
  877    HB2  PHE 116           HB2      PHE 116 -16.331  -5.275  13.365
  878    HB3  PHE 116           HB3      PHE 116 -15.553  -5.620  11.854
  879    HD1  PHE 116           HD1      PHE 116 -15.145  -3.609  14.983
  880    HD2  PHE 116           HD2      PHE 116 -13.194  -5.411  11.588
  881    HE1  PHE 116           HE1      PHE 116 -12.935  -3.118  15.996
  882    HE2  PHE 116           HE2      PHE 116 -10.982  -4.935  12.613
  883    HZ   PHE 116           HZ       PHE 116 -10.847  -3.814  14.833
  884    H    VAL 117           H        VAL 117 -14.749  -3.711   9.914
  885    HA   VAL 117           HA       VAL 117 -13.277  -1.336  10.655
  886    HB   VAL 117           HB       VAL 117 -12.275  -1.277   8.390
  887   HG11  VAL 117          HG11      VAL 117 -10.856  -3.204   8.815
  888   HG12  VAL 117          HG12      VAL 117 -11.213  -2.349  10.315
  889   HG13  VAL 117          HG13      VAL 117 -12.063  -3.870   9.944
  890   HG21  VAL 117          HG21      VAL 117 -13.661  -3.930   7.939
  891   HG22  VAL 117          HG22      VAL 117 -14.088  -2.410   7.113
  892   HG23  VAL 117          HG23      VAL 117 -12.490  -3.131   6.881
  893    H    THR 118           H        THR 118 -16.228  -1.571   8.763
  894    HA   THR 118           HA       THR 118 -16.085   1.224   7.798
  895    HB   THR 118           HB       THR 118 -18.665  -0.312   8.138
  896    HG1  THR 118           HG1      THR 118 -17.209  -1.695   7.018
  897   HG21  THR 118          HG21      THR 118 -17.641   1.635   6.026
  898   HG22  THR 118          HG22      THR 118 -19.271   0.943   6.118
  899   HG23  THR 118          HG23      THR 118 -18.728   2.067   7.371
  900    H    GLN 119           H        GLN 119 -17.633  -0.296  10.714
  901    HA   GLN 119           HA       GLN 119 -18.356   2.396  11.564
  902    HB2  GLN 119           HB2      GLN 119 -19.380   1.520  13.412
  903    HB3  GLN 119           HB3      GLN 119 -19.679   0.398  12.090
  904    HG2  GLN 119           HG2      GLN 119 -17.646  -0.937  13.068
  905    HG3  GLN 119           HG3      GLN 119 -17.868   0.079  14.501
  906   HE21  GLN 119          HE22      GLN 119 -19.569  -2.122  12.257
  907   HE22  GLN 119          HE21      GLN 119 -20.773  -2.667  13.419
  908    H    LEU 120           H        LEU 120 -15.383   0.551  11.915
  909    HA   LEU 120           HA       LEU 120 -14.233   2.165  13.996
  910    HB2  LEU 120           HB2      LEU 120 -13.127   0.555  11.677
  911    HB3  LEU 120           HB3      LEU 120 -12.060   1.646  12.532
  912    HG   LEU 120           HG       LEU 120 -13.575  -0.611  13.912
  913   HD11  LEU 120          HD11      LEU 120 -11.141  -1.538  13.981
  914   HD12  LEU 120          HD12      LEU 120 -12.018  -1.660  12.446
  915   HD13  LEU 120          HD13      LEU 120 -10.793  -0.395  12.684
  916   HD21  LEU 120          HD21      LEU 120 -12.892   1.283  15.421
  917   HD22  LEU 120          HD22      LEU 120 -11.975  -0.186  15.743
  918   HD23  LEU 120          HD23      LEU 120 -11.232   1.135  14.814
  919    H    ARG 121           H        ARG 121 -14.272   2.608  10.425
  920    HA   ARG 121           HA       ARG 121 -13.222   5.345  10.643
  921    HB2  ARG 121           HB2      ARG 121 -14.617   4.217   8.196
  922    HB3  ARG 121           HB3      ARG 121 -13.517   5.587   8.319
  923    HG2  ARG 121           HG2      ARG 121 -11.719   3.805   8.948
  924    HG3  ARG 121           HG3      ARG 121 -12.906   2.618   8.396
  925    HD2  ARG 121           HD2      ARG 121 -11.518   4.747   6.810
  926    HD3  ARG 121           HD3      ARG 121 -11.515   3.021   6.508
  927    HE   ARG 121           HE       ARG 121 -13.302   4.935   5.416
  928   HH11  ARG 121          HH11      ARG 121 -13.417   1.585   6.493
  929   HH12  ARG 121          HH12      ARG 121 -14.944   1.294   5.704
  930   HH21  ARG 121          HH21      ARG 121 -15.338   4.599   4.638
  931   HH22  ARG 121          HH22      ARG 121 -16.008   2.990   4.614
  932    H    TYR 122           H        TYR 122 -16.168   4.605   8.936
  933    HA   TYR 122           HA       TYR 122 -18.247   5.209   8.937
  934    HB2  TYR 122           HB2      TYR 122 -17.852   4.417  11.414
  935    HB3  TYR 122           HB3      TYR 122 -18.129   6.086  11.835
  936    HD1  TYR 122           HD2      TYR 122 -19.652   3.256   9.855
  937    HD2  TYR 122           HD1      TYR 122 -20.356   6.779  12.238
  938    HE1  TYR 122           HE2      TYR 122 -22.096   2.793   9.816
  939    HE2  TYR 122           HE1      TYR 122 -22.802   6.322  12.202
  940    HH   TYR 122           HH       TYR 122 -24.463   4.928  11.463
  941    H    GLY 123           H        GLY 123 -15.881   7.411   9.376
  942    HA2  GLY 123           HA2      GLY 123 -17.233   9.862  10.143
  943    HA3  GLY 123           HA3      GLY 123 -15.538   9.663   9.670
  944    H    LYS 124           H        LYS 124 -14.890  10.125   7.649
  945    HA   LYS 124           HA       LYS 124 -16.621  11.974   6.208
  946    HB2  LYS 124           HB2      LYS 124 -14.300  12.387   7.019
  947    HB3  LYS 124           HB3      LYS 124 -13.665  11.252   5.844
  948    HG2  LYS 124           HG2      LYS 124 -14.195  12.672   4.018
  949    HG3  LYS 124           HG3      LYS 124 -15.423  13.562   4.917
  950    HD2  LYS 124           HD2      LYS 124 -12.448  13.729   5.564
  951    HD3  LYS 124           HD3      LYS 124 -13.284  14.816   4.435
  952    HE2  LYS 124           HE2      LYS 124 -14.889  15.439   6.271
  953    HE3  LYS 124           HE3      LYS 124 -13.939  14.468   7.400
  954    HZ1  LYS 124           HZ1      LYS 124 -12.040  15.944   6.953
  955    HZ2  LYS 124           HZ2      LYS 124 -12.924  16.827   5.895
  956    HZ3  LYS 124           HZ3      LYS 124 -13.322  16.814   7.477
  957    H    SER 125           H        SER 125 -16.744   8.869   5.972
  958    HA   SER 125           HA       SER 125 -16.434   8.298   3.101
  959    HB2  SER 125           HB2      SER 125 -17.507   6.635   5.409
  960    HB3  SER 125           HB3      SER 125 -17.252   6.056   3.747
  961    HG   SER 125           HG       SER 125 -15.129   7.409   4.999
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  19.232   1.884  -3.176
    2    H2   MET   1           H2       MET   1  18.940   2.401  -1.650
    3    H3   MET   1           H3       MET   1  20.241   1.464  -1.962
    4    HA   MET   1           HA       MET   1  18.854  -0.400  -2.583
    5    HB2  MET   1           HB2      MET   1  19.649  -0.133  -0.222
    6    HB3  MET   1           HB3      MET   1  18.136   0.688   0.180
    7    HG2  MET   1           HG2      MET   1  16.875  -1.369  -0.387
    8    HG3  MET   1           HG3      MET   1  18.375  -2.163  -0.877
    9    HE1  MET   1           HE1      MET   1  17.290  -4.077   2.377
   10    HE2  MET   1           HE2      MET   1  16.222  -3.379   1.139
   11    HE3  MET   1           HE3      MET   1  17.709  -4.228   0.653
   12    H    ALA   2           H        ALA   2  16.836  -1.227  -3.159
   13    HA   ALA   2           HA       ALA   2  14.749   0.665  -3.850
   14    HB1  ALA   2           HB1      ALA   2  14.837  -2.386  -3.975
   15    HB2  ALA   2           HB2      ALA   2  13.659  -1.342  -4.792
   16    HB3  ALA   2           HB3      ALA   2  15.362  -1.273  -5.262
   17    H    SER   3           H        SER   3  12.432   0.318  -3.307
   18    HA   SER   3           HA       SER   3  12.012   0.187  -0.431
   19    HB2  SER   3           HB2      SER   3   9.622   0.633  -1.084
   20    HB3  SER   3           HB3      SER   3  10.794   1.838  -1.625
   21    HG   SER   3           HG       SER   3   9.303   1.268  -3.281
   22    HA   PRO   4           HA       PRO   4  10.787  -4.071  -0.195
   23    HB2  PRO   4           HB2      PRO   4   9.330  -4.172   2.094
   24    HB3  PRO   4           HB3      PRO   4  11.067  -3.742   2.092
   25    HG2  PRO   4           HG2      PRO   4   8.685  -1.843   2.093
   26    HG3  PRO   4           HG3      PRO   4  10.098  -1.843   3.203
   27    HD2  PRO   4           HD2      PRO   4   9.993  -0.245   0.998
   28    HD3  PRO   4           HD3      PRO   4  11.523  -0.994   1.537
   29    H    HIS   5           H        HIS   5   9.002  -5.567  -0.339
   30    HA   HIS   5           HA       HIS   5   6.719  -4.564  -1.863
   31    HB2  HIS   5           HB2      HIS   5   6.252  -6.906  -2.250
   32    HB3  HIS   5           HB3      HIS   5   7.966  -6.605  -2.485
   33    HD1  HIS   5           HD1      HIS   5   5.588  -8.317   0.029
   34    HD2  HIS   5           HD2      HIS   5   9.669  -7.972  -0.944
   35    HE1  HIS   5           HE1      HIS   5   6.812 -10.052   1.440
   36    H    GLN   6           H        GLN   6   7.139  -4.476   1.359
   37    HA   GLN   6           HA       GLN   6   4.286  -4.673   2.077
   38    HB2  GLN   6           HB2      GLN   6   5.128  -6.974   2.349
   39    HB3  GLN   6           HB3      GLN   6   6.499  -6.387   3.291
   40    HG2  GLN   6           HG2      GLN   6   4.888  -5.606   5.072
   41    HG3  GLN   6           HG3      GLN   6   3.561  -6.302   4.128
   42   HE21  GLN   6          HE22      GLN   6   3.071  -8.486   4.585
   43   HE22  GLN   6          HE21      GLN   6   4.195  -9.554   5.421
   44    H    GLU   7           H        GLU   7   3.837  -3.000   3.496
   45    HA   GLU   7           HA       GLU   7   5.859  -1.997   5.376
   46    HB2  GLU   7           HB2      GLU   7   6.418  -0.854   3.230
   47    HB3  GLU   7           HB3      GLU   7   4.792  -0.172   3.196
   48    HG2  GLU   7           HG2      GLU   7   5.311   0.890   5.470
   49    HG3  GLU   7           HG3      GLU   7   6.965   0.313   5.281
   50    HA   PRO   8           HA       PRO   8   1.728  -1.071   7.165
   51    HB2  PRO   8           HB2      PRO   8   2.178  -1.818   9.704
   52    HB3  PRO   8           HB3      PRO   8   1.917  -3.041   8.420
   53    HG2  PRO   8           HG2      PRO   8   4.557  -2.094   9.587
   54    HG3  PRO   8           HG3      PRO   8   4.027  -3.769   9.277
   55    HD2  PRO   8           HD2      PRO   8   5.596  -2.286   7.533
   56    HD3  PRO   8           HD3      PRO   8   4.509  -3.597   6.991
   57    H    LYS   9           H        LYS   9   1.184   0.834   8.234
   58    HA   LYS   9           HA       LYS   9   2.992   2.313   9.862
   59    HB2  LYS   9           HB2      LYS   9   3.421   4.259   8.559
   60    HB3  LYS   9           HB3      LYS   9   4.069   2.869   7.750
   61    HG2  LYS   9           HG2      LYS   9   1.442   4.229   6.987
   62    HG3  LYS   9           HG3      LYS   9   3.022   4.585   6.288
   63    HD2  LYS   9           HD2      LYS   9   3.161   2.084   5.645
   64    HD3  LYS   9           HD3      LYS   9   1.453   1.997   6.080
   65    HE2  LYS   9           HE2      LYS   9   1.576   2.272   3.716
   66    HE3  LYS   9           HE3      LYS   9   0.945   3.773   4.399
   67    HZ1  LYS   9           HZ1      LYS   9   2.674   4.120   2.679
   68    HZ2  LYS   9           HZ2      LYS   9   3.137   4.764   4.108
   69    HZ3  LYS   9           HZ3      LYS   9   3.795   3.348   3.601
   70    HA   PRO  10           HA       PRO  10  -0.403   3.772  11.786
   71    HB2  PRO  10           HB2      PRO  10   0.423   6.661  11.658
   72    HB3  PRO  10           HB3      PRO  10  -0.032   5.655  13.080
   73    HG2  PRO  10           HG2      PRO  10   2.570   6.166  12.549
   74    HG3  PRO  10           HG3      PRO  10   2.048   4.525  13.061
   75    HD2  PRO  10           HD2      PRO  10   2.604   5.545  10.264
   76    HD3  PRO  10           HD3      PRO  10   3.153   4.028  11.037
   77    H    GLY  11           H        GLY  11  -2.459   4.123  11.580
   78    HA2  GLY  11           HA2      GLY  11  -4.432   5.221  10.957
   79    HA3  GLY  11           HA3      GLY  11  -3.594   5.996   9.587
   80    H    ASP  12           H        ASP  12  -2.586   3.009   9.089
   81    HA   ASP  12           HA       ASP  12  -4.710   2.607   7.086
   82    HB2  ASP  12           HB2      ASP  12  -1.860   1.634   7.324
   83    HB3  ASP  12           HB3      ASP  12  -2.964   1.084   6.074
   84    H    LEU  13           H        LEU  13  -5.467   0.627   6.374
   85    HA   LEU  13           HA       LEU  13  -6.214  -1.208   8.574
   86    HB2  LEU  13           HB2      LEU  13  -7.267  -0.737   5.744
   87    HB3  LEU  13           HB3      LEU  13  -7.895  -1.978   6.816
   88    HG   LEU  13           HG       LEU  13  -7.867   0.956   7.528
   89   HD11  LEU  13          HD11      LEU  13  -9.303   0.626   5.557
   90   HD12  LEU  13          HD12      LEU  13 -10.122  -0.742   6.347
   91   HD13  LEU  13          HD13      LEU  13 -10.309   0.901   6.992
   92   HD21  LEU  13          HD21      LEU  13  -9.621   0.161   9.204
   93   HD22  LEU  13          HD22      LEU  13  -9.320  -1.500   8.653
   94   HD23  LEU  13          HD23      LEU  13  -8.047  -0.611   9.482
   95    H    ILE  14           H        ILE  14  -5.064  -2.948   8.851
   96    HA   ILE  14           HA       ILE  14  -3.610  -4.212   6.567
   97    HB   ILE  14           HB       ILE  14  -3.256  -4.701   9.549
   98   HG12  ILE  14          HG12      ILE  14  -1.494  -2.936   7.796
   99   HG13  ILE  14          HG13      ILE  14  -2.702  -2.284   8.902
  100   HG21  ILE  14          HG21      ILE  14  -1.412  -5.287   7.181
  101   HG22  ILE  14          HG22      ILE  14  -1.141  -5.769   8.866
  102   HG23  ILE  14          HG23      ILE  14  -2.455  -6.498   7.957
  103   HD11  ILE  14          HD11      ILE  14  -1.561  -3.322  10.816
  104   HD12  ILE  14          HD12      ILE  14  -0.279  -3.919   9.725
  105   HD13  ILE  14          HD13      ILE  14  -0.539  -2.179   9.921
  106    H    GLU  15           H        GLU  15  -4.303  -6.108   5.746
  107    HA   GLU  15           HA       GLU  15  -6.288  -7.782   7.229
  108    HB2  GLU  15           HB2      GLU  15  -5.304  -7.896   4.349
  109    HB3  GLU  15           HB3      GLU  15  -6.358  -9.097   5.118
  110    HG2  GLU  15           HG2      GLU  15  -8.008  -7.258   5.570
  111    HG3  GLU  15           HG3      GLU  15  -6.989  -6.192   4.579
  112    H    ILE  16           H        ILE  16  -5.402  -9.237   8.510
  113    HA   ILE  16           HA       ILE  16  -2.623 -10.268   8.032
  114    HB   ILE  16           HB       ILE  16  -4.375 -10.082  10.532
  115   HG12  ILE  16          HG12      ILE  16  -1.802  -8.583   9.853
  116   HG13  ILE  16          HG13      ILE  16  -3.421  -7.904   9.682
  117   HG21  ILE  16          HG21      ILE  16  -2.983 -12.083  10.676
  118   HG22  ILE  16          HG22      ILE  16  -1.542 -11.164  10.188
  119   HG23  ILE  16          HG23      ILE  16  -2.339 -10.864  11.754
  120   HD11  ILE  16          HD11      ILE  16  -2.104  -8.699  12.285
  121   HD12  ILE  16          HD12      ILE  16  -2.526  -7.082  11.707
  122   HD13  ILE  16          HD13      ILE  16  -3.816  -8.229  12.115
  123    H    PHE  17           H        PHE  17  -2.502 -12.276   7.185
  124    HA   PHE  17           HA       PHE  17  -4.854 -13.855   6.736
  125    HB2  PHE  17           HB2      PHE  17  -2.895 -13.726   5.223
  126    HB3  PHE  17           HB3      PHE  17  -1.905 -14.543   6.426
  127    HD1  PHE  17           HD1      PHE  17  -4.767 -14.949   4.077
  128    HD2  PHE  17           HD2      PHE  17  -1.982 -16.956   6.687
  129    HE1  PHE  17           HE1      PHE  17  -5.440 -17.138   3.120
  130    HE2  PHE  17           HE2      PHE  17  -2.657 -19.145   5.729
  131    HZ   PHE  17           HZ       PHE  17  -4.388 -19.236   3.939
  132    H    ARG  18           H        ARG  18  -2.376 -13.944   9.142
  133    HA   ARG  18           HA       ARG  18  -1.910 -15.038  10.993
  134    HB2  ARG  18           HB2      ARG  18  -4.514 -14.133  11.132
  135    HB3  ARG  18           HB3      ARG  18  -4.676 -15.766  11.760
  136    HG2  ARG  18           HG2      ARG  18  -2.671 -13.665  12.676
  137    HG3  ARG  18           HG3      ARG  18  -4.178 -14.040  13.509
  138    HD2  ARG  18           HD2      ARG  18  -3.384 -16.262  14.100
  139    HD3  ARG  18           HD3      ARG  18  -1.918 -16.052  13.110
  140    HE   ARG  18           HE       ARG  18  -1.947 -13.927  14.929
  141   HH11  ARG  18          HH11      ARG  18  -1.641 -17.451  15.133
  142   HH12  ARG  18          HH12      ARG  18  -0.639 -17.381  16.546
  143   HH21  ARG  18          HH21      ARG  18  -0.580 -13.903  16.755
  144   HH22  ARG  18          HH22      ARG  18  -0.077 -15.406  17.456
  145    H    LEU  19           H        LEU  19  -4.567 -17.202   9.898
  146    HA   LEU  19           HA       LEU  19  -2.809 -19.540   9.815
  147    HB2  LEU  19           HB2      LEU  19  -3.995 -20.728  11.691
  148    HB3  LEU  19           HB3      LEU  19  -2.900 -19.443  12.140
  149    HG   LEU  19           HG       LEU  19  -4.730 -17.938  12.677
  150   HD11  LEU  19          HD11      LEU  19  -7.082 -18.693  12.736
  151   HD12  LEU  19          HD12      LEU  19  -6.467 -18.589  11.088
  152   HD13  LEU  19          HD13      LEU  19  -6.632 -20.180  11.874
  153   HD21  LEU  19          HD21      LEU  19  -5.107 -20.691  13.921
  154   HD22  LEU  19          HD22      LEU  19  -3.878 -19.494  14.381
  155   HD23  LEU  19          HD23      LEU  19  -5.592 -19.135  14.633
  156    H    GLY  20           H        GLY  20  -4.663 -18.212   7.996
  157    HA2  GLY  20           HA2      GLY  20  -5.869 -19.303   6.193
  158    HA3  GLY  20           HA3      GLY  20  -6.586 -20.437   7.369
  159    H    TYR  21           H        TYR  21  -7.628 -19.077   9.316
  160    HA   TYR  21           HA       TYR  21  -9.658 -17.278   8.220
  161    HB2  TYR  21           HB2      TYR  21 -10.279 -18.746  10.032
  162    HB3  TYR  21           HB3      TYR  21  -8.980 -18.134  11.054
  163    HD1  TYR  21           HD2      TYR  21 -12.189 -17.190   9.380
  164    HD2  TYR  21           HD1      TYR  21  -9.228 -16.115  12.334
  165    HE1  TYR  21           HE2      TYR  21 -13.631 -15.315  10.138
  166    HE2  TYR  21           HE1      TYR  21 -10.664 -14.238  13.085
  167    HH   TYR  21           HH       TYR  21 -13.809 -13.506  11.549
  168    H    GLU  22           H        GLU  22  -9.421 -15.150   7.916
  169    HA   GLU  22           HA       GLU  22  -6.896 -13.870   8.741
  170    HB2  GLU  22           HB2      GLU  22  -9.019 -12.743   6.884
  171    HB3  GLU  22           HB3      GLU  22  -7.335 -12.254   7.053
  172    HG2  GLU  22           HG2      GLU  22  -6.762 -14.673   6.258
  173    HG3  GLU  22           HG3      GLU  22  -8.457 -14.782   5.790
  174    H    HIS  23           H        HIS  23  -6.777 -11.798   9.696
  175    HA   HIS  23           HA       HIS  23  -9.253 -10.747  11.057
  176    HB2  HIS  23           HB2      HIS  23  -6.393 -10.877  12.111
  177    HB3  HIS  23           HB3      HIS  23  -7.668  -9.911  12.836
  178    HD1  HIS  23           HD1      HIS  23  -9.165 -11.122  14.619
  179    HD2  HIS  23           HD2      HIS  23  -6.726 -13.642  12.276
  180    HE1  HIS  23           HE1      HIS  23  -9.191 -13.409  15.741
  181    H    TRP  24           H        TRP  24  -9.486  -8.486  11.124
  182    HA   TRP  24           HA       TRP  24  -7.680  -6.853   9.416
  183    HB2  TRP  24           HB2      TRP  24 -10.344  -6.336  10.770
  184    HB3  TRP  24           HB3      TRP  24  -9.335  -5.048  10.137
  185    HD1  TRP  24           HD1      TRP  24 -12.038  -7.221   9.189
  186    HE1  TRP  24           HE1      TRP  24 -12.623  -6.991   6.705
  187    HE3  TRP  24           HE3      TRP  24  -7.932  -4.593   7.674
  188    HZ2  TRP  24           HZ2      TRP  24 -11.526  -5.667   4.390
  189    HZ3  TRP  24           HZ3      TRP  24  -7.783  -3.767   5.339
  190    HH2  TRP  24           HH2      TRP  24  -9.566  -4.289   3.695
  191    H    ALA  25           H        ALA  25  -6.435  -5.175  10.225
  192    HA   ALA  25           HA       ALA  25  -6.731  -4.394  13.075
  193    HB1  ALA  25           HB1      ALA  25  -4.931  -6.104  13.010
  194    HB2  ALA  25           HB2      ALA  25  -4.066  -5.146  11.784
  195    HB3  ALA  25           HB3      ALA  25  -4.287  -4.508  13.419
  196    H    LEU  26           H        LEU  26  -6.203  -2.311  13.578
  197    HA   LEU  26           HA       LEU  26  -5.540  -0.404  11.359
  198    HB2  LEU  26           HB2      LEU  26  -7.756  -0.308  12.774
  199    HB3  LEU  26           HB3      LEU  26  -6.747   0.237  14.083
  200    HG   LEU  26           HG       LEU  26  -7.729   2.135  13.172
  201   HD11  LEU  26          HD11      LEU  26  -5.283   2.454  13.588
  202   HD12  LEU  26          HD12      LEU  26  -4.996   2.217  11.848
  203   HD13  LEU  26          HD13      LEU  26  -5.976   3.579  12.412
  204   HD21  LEU  26          HD21      LEU  26  -7.744   2.751  10.793
  205   HD22  LEU  26          HD22      LEU  26  -6.842   1.274  10.387
  206   HD23  LEU  26          HD23      LEU  26  -8.491   1.167  11.049
  207    H    TYR  27           H        TYR  27  -3.417   0.175  11.414
  208    HA   TYR  27           HA       TYR  27  -1.717  -0.179  13.763
  209    HB2  TYR  27           HB2      TYR  27  -1.270  -0.282  11.165
  210    HB3  TYR  27           HB3      TYR  27  -1.036   1.429  11.307
  211    HD1  TYR  27           HD2      TYR  27   0.244  -1.927  12.256
  212    HD2  TYR  27           HD1      TYR  27   1.035   2.294  12.351
  213    HE1  TYR  27           HE2      TYR  27   2.691  -2.379  12.477
  214    HE2  TYR  27           HE1      TYR  27   3.474   1.853  12.402
  215    HH   TYR  27           HH       TYR  27   5.123   0.223  12.328
  216    H    ILE  28           H        ILE  28  -1.907   1.124  15.507
  217    HA   ILE  28           HA       ILE  28  -2.836   3.969  15.151
  218    HB   ILE  28           HB       ILE  28  -3.298   3.871  17.596
  219   HG12  ILE  28          HG12      ILE  28  -3.051   0.854  17.475
  220   HG13  ILE  28          HG13      ILE  28  -1.679   1.842  17.967
  221   HG21  ILE  28          HG21      ILE  28  -5.012   3.496  15.817
  222   HG22  ILE  28          HG22      ILE  28  -4.770   1.747  15.990
  223   HG23  ILE  28          HG23      ILE  28  -5.390   2.715  17.351
  224   HD11  ILE  28          HD11      ILE  28  -4.397   1.969  19.329
  225   HD12  ILE  28          HD12      ILE  28  -3.002   1.018  19.884
  226   HD13  ILE  28          HD13      ILE  28  -2.907   2.792  19.825
  227    H    GLY  29           H        GLY  29   0.023   2.279  15.951
  228    HA2  GLY  29           HA2      GLY  29   1.484   4.793  16.336
  229    HA3  GLY  29           HA3      GLY  29   1.557   3.667  17.701
  230    H    ASP  30           H        ASP  30   3.940   4.103  16.591
  231    HA   ASP  30           HA       ASP  30   4.542   2.496  14.292
  232    HB2  ASP  30           HB2      ASP  30   6.333   3.714  16.419
  233    HB3  ASP  30           HB3      ASP  30   6.923   2.899  14.972
  234    H    GLY  31           H        GLY  31   3.619   0.493  14.737
  235    HA2  GLY  31           HA2      GLY  31   4.343  -1.814  14.915
  236    HA3  GLY  31           HA3      GLY  31   5.163  -1.426  16.443
  237    H    TYR  32           H        TYR  32   2.446   0.273  16.815
  238    HA   TYR  32           HA       TYR  32   1.088  -1.927  18.293
  239    HB2  TYR  32           HB2      TYR  32   0.949   1.100  18.529
  240    HB3  TYR  32           HB3      TYR  32  -0.072  -0.008  19.439
  241    HD1  TYR  32           HD1      TYR  32   0.926  -1.647  21.051
  242    HD2  TYR  32           HD2      TYR  32   3.251   1.492  19.219
  243    HE1  TYR  32           HE1      TYR  32   2.649  -1.893  22.827
  244    HE2  TYR  32           HE2      TYR  32   4.985   1.244  20.979
  245    HH   TYR  32           HH       TYR  32   5.598   0.154  22.884
  246    H    VAL  33           H        VAL  33  -1.011  -2.496  18.021
  247    HA   VAL  33           HA       VAL  33  -2.577  -1.204  15.834
  248    HB   VAL  33           HB       VAL  33  -3.277  -3.495  15.090
  249   HG11  VAL  33          HG11      VAL  33  -1.245  -3.971  13.756
  250   HG12  VAL  33          HG12      VAL  33  -1.739  -2.285  13.715
  251   HG13  VAL  33          HG13      VAL  33  -0.354  -2.780  14.724
  252   HG21  VAL  33          HG21      VAL  33  -0.859  -4.510  16.631
  253   HG22  VAL  33          HG22      VAL  33  -2.550  -4.832  17.065
  254   HG23  VAL  33          HG23      VAL  33  -1.892  -5.441  15.542
  255    H    ILE  34           H        ILE  34  -4.745  -1.462  15.834
  256    HA   ILE  34           HA       ILE  34  -6.105  -2.581  18.276
  257    HB   ILE  34           HB       ILE  34  -6.972  -0.495  16.236
  258   HG12  ILE  34          HG12      ILE  34  -5.419   0.332  17.974
  259   HG13  ILE  34          HG13      ILE  34  -6.997   1.104  17.997
  260   HG21  ILE  34          HG21      ILE  34  -9.052  -0.272  17.639
  261   HG22  ILE  34          HG22      ILE  34  -8.942  -1.774  16.720
  262   HG23  ILE  34          HG23      ILE  34  -8.588  -1.784  18.459
  263   HD11  ILE  34          HD11      ILE  34  -7.642  -0.290  19.960
  264   HD12  ILE  34          HD12      ILE  34  -5.998  -0.976  19.966
  265   HD13  ILE  34          HD13      ILE  34  -6.257   0.759  20.267
  266    H    HIS  35           H        HIS  35  -7.298  -4.459  17.888
  267    HA   HIS  35           HA       HIS  35  -7.967  -5.202  15.081
  268    HB2  HIS  35           HB2      HIS  35  -6.794  -7.307  15.225
  269    HB3  HIS  35           HB3      HIS  35  -5.649  -6.010  15.553
  270    HD1  HIS  35           HD1      HIS  35  -6.961  -9.177  17.082
  271    HD2  HIS  35           HD2      HIS  35  -5.045  -5.635  18.305
  272    HE1  HIS  35           HE1      HIS  35  -6.038  -9.627  19.410
  273    H    LEU  36           H        LEU  36  -9.373  -7.121  14.936
  274    HA   LEU  36           HA       LEU  36 -11.322  -7.079  17.184
  275    HB2  LEU  36           HB2      LEU  36 -11.953  -6.201  15.032
  276    HB3  LEU  36           HB3      LEU  36 -11.572  -7.702  14.211
  277    HG   LEU  36           HG       LEU  36 -13.976  -7.141  14.496
  278   HD11  LEU  36          HD11      LEU  36 -13.212  -9.473  14.113
  279   HD12  LEU  36          HD12      LEU  36 -13.278  -9.753  15.855
  280   HD13  LEU  36          HD13      LEU  36 -14.760  -9.359  14.977
  281   HD21  LEU  36          HD21      LEU  36 -15.130  -7.394  16.598
  282   HD22  LEU  36          HD22      LEU  36 -13.625  -7.810  17.439
  283   HD23  LEU  36          HD23      LEU  36 -13.863  -6.175  16.779
  284    H    ALA  37           H        ALA  37 -11.492  -8.720  18.476
  285    HA   ALA  37           HA       ALA  37 -10.604 -11.458  17.761
  286    HB1  ALA  37           HB1      ALA  37  -9.956 -10.473  19.937
  287    HB2  ALA  37           HB2      ALA  37 -11.666 -10.266  20.363
  288    HB3  ALA  37           HB3      ALA  37 -10.999 -11.899  20.148
  289    HA   PRO  38           HA       PRO  38 -14.797 -11.687  16.250
  290    HB2  PRO  38           HB2      PRO  38 -14.857 -14.248  15.233
  291    HB3  PRO  38           HB3      PRO  38 -13.897 -12.914  14.520
  292    HG2  PRO  38           HG2      PRO  38 -12.969 -15.036  16.490
  293    HG3  PRO  38           HG3      PRO  38 -12.220 -14.602  14.920
  294    HD2  PRO  38           HD2      PRO  38 -11.311 -13.548  17.237
  295    HD3  PRO  38           HD3      PRO  38 -11.441 -12.524  15.770
  296    HA   PRO  39           HA       PRO  39 -17.436 -13.908  19.172
  297    HB2  PRO  39           HB2      PRO  39 -19.725 -14.238  17.759
  298    HB3  PRO  39           HB3      PRO  39 -19.163 -12.623  18.287
  299    HG2  PRO  39           HG2      PRO  39 -18.854 -13.893  15.550
  300    HG3  PRO  39           HG3      PRO  39 -19.351 -12.220  15.946
  301    HD2  PRO  39           HD2      PRO  39 -16.785 -12.984  15.269
  302    HD3  PRO  39           HD3      PRO  39 -17.141 -11.563  16.263
  303    H    SER  40           H        SER  40 -17.867 -16.102  19.670
  304    HA   SER  40           HA       SER  40 -17.733 -18.270  17.746
  305    HB2  SER  40           HB2      SER  40 -15.350 -17.340  17.768
  306    HB3  SER  40           HB3      SER  40 -15.248 -17.871  19.447
  307    HG   SER  40           HG       SER  40 -14.442 -19.396  17.869
  308    H    GLU  41           H        GLU  41 -16.948 -20.370  19.101
  309    HA   GLU  41           HA       GLU  41 -17.801 -20.580  21.827
  310    HB2  GLU  41           HB2      GLU  41 -19.764 -21.997  21.489
  311    HB3  GLU  41           HB3      GLU  41 -20.041 -20.341  21.032
  312    HG2  GLU  41           HG2      GLU  41 -19.390 -22.536  19.028
  313    HG3  GLU  41           HG3      GLU  41 -21.030 -22.149  19.550
  314    H    TYR  42           H        TYR  42 -17.758 -22.772  22.640
  315    HA   TYR  42           HA       TYR  42 -15.758 -24.505  21.469
  316    HB2  TYR  42           HB2      TYR  42 -17.741 -24.993  23.729
  317    HB3  TYR  42           HB3      TYR  42 -16.335 -25.977  23.383
  318    HD1  TYR  42           HD2      TYR  42 -14.001 -24.766  23.376
  319    HD2  TYR  42           HD1      TYR  42 -17.547 -23.229  25.300
  320    HE1  TYR  42           HE2      TYR  42 -12.585 -23.339  24.839
  321    HE2  TYR  42           HE1      TYR  42 -16.132 -21.798  26.766
  322    HH   TYR  42           HH       TYR  42 -12.553 -21.791  26.534
  323    HA   PRO  43           HA       PRO  43 -18.187 -26.986  18.783
  324    HB2  PRO  43           HB2      PRO  43 -17.109 -29.520  18.972
  325    HB3  PRO  43           HB3      PRO  43 -16.289 -28.125  18.209
  326    HG2  PRO  43           HG2      PRO  43 -15.980 -29.142  21.052
  327    HG3  PRO  43           HG3      PRO  43 -14.687 -28.772  19.863
  328    HD2  PRO  43           HD2      PRO  43 -15.377 -26.971  21.729
  329    HD3  PRO  43           HD3      PRO  43 -15.057 -26.429  20.058
  330    H    GLY  44           H        GLY  44 -18.540 -27.646  22.172
  331    HA2  GLY  44           HA2      GLY  44 -20.450 -29.740  22.138
  332    HA3  GLY  44           HA3      GLY  44 -20.360 -28.433  23.336
  333    H    ALA  45           H        ALA  45 -20.848 -26.265  21.418
  334    HA   ALA  45           HA       ALA  45 -23.738 -26.302  21.225
  335    HB1  ALA  45           HB1      ALA  45 -21.677 -24.424  20.002
  336    HB2  ALA  45           HB2      ALA  45 -23.428 -24.122  20.137
  337    HB3  ALA  45           HB3      ALA  45 -22.451 -24.247  21.602
  338    H    GLY  46           H        GLY  46 -21.291 -27.529  19.112
  339    HA2  GLY  46           HA2      GLY  46 -23.187 -27.870  16.820
  340    HA3  GLY  46           HA3      GLY  46 -21.423 -28.087  16.787
  341    H    SER  47           H        SER  47 -22.859 -29.470  19.585
  342    HA   SER  47           HA       SER  47 -22.818 -32.229  18.402
  343    HB2  SER  47           HB2      SER  47 -21.566 -31.363  21.044
  344    HB3  SER  47           HB3      SER  47 -21.573 -32.991  20.361
  345    HG   SER  47           HG       SER  47 -20.199 -30.696  19.400
  346    H    SER  48           H        SER  48 -23.670 -33.853  20.232
  347    HA   SER  48           HA       SER  48 -26.373 -33.362  20.656
  348    HB2  SER  48           HB2      SER  48 -24.590 -35.206  22.288
  349    HB3  SER  48           HB3      SER  48 -26.339 -35.355  22.053
  350    HG   SER  48           HG       SER  48 -25.171 -36.734  20.644
  351    H    SER  49           H        SER  49 -23.772 -32.232  22.703
  352    HA   SER  49           HA       SER  49 -25.448 -31.600  25.019
  353    HB2  SER  49           HB2      SER  49 -23.308 -30.518  25.795
  354    HB3  SER  49           HB3      SER  49 -23.194 -32.241  25.432
  355    HG   SER  49           HG       SER  49 -21.441 -31.073  24.546
  356    H    VAL  50           H        VAL  50 -25.407 -30.212  22.023
  357    HA   VAL  50           HA       VAL  50 -25.156 -27.561  22.140
  358    HB   VAL  50           HB       VAL  50 -25.894 -28.623  20.152
  359   HG11  VAL  50          HG11      VAL  50 -28.187 -29.358  19.709
  360   HG12  VAL  50          HG12      VAL  50 -27.518 -30.276  21.062
  361   HG13  VAL  50          HG13      VAL  50 -28.674 -28.960  21.363
  362   HG21  VAL  50          HG21      VAL  50 -26.350 -26.179  20.412
  363   HG22  VAL  50          HG22      VAL  50 -27.416 -26.994  19.250
  364   HG23  VAL  50          HG23      VAL  50 -28.023 -26.573  20.857
  365    H    PHE  51           H        PHE  51 -25.918 -25.808  22.866
  366    HA   PHE  51           HA       PHE  51 -27.166 -24.197  23.764
  367    HB2  PHE  51           HB2      PHE  51 -29.253 -25.611  23.348
  368    HB3  PHE  51           HB3      PHE  51 -29.112 -26.168  25.013
  369    HD1  PHE  51           HD2      PHE  51 -29.625 -23.181  22.839
  370    HD2  PHE  51           HD1      PHE  51 -29.812 -24.755  26.851
  371    HE1  PHE  51           HE2      PHE  51 -30.842 -21.148  23.578
  372    HE2  PHE  51           HE1      PHE  51 -31.029 -22.716  27.587
  373    HZ   PHE  51           HZ       PHE  51 -31.548 -20.914  25.955
  374    H    SER  52           H        SER  52 -26.025 -26.949  25.623
  375    HA   SER  52           HA       SER  52 -25.765 -25.577  28.165
  376    HB2  SER  52           HB2      SER  52 -24.095 -27.224  28.722
  377    HB3  SER  52           HB3      SER  52 -25.460 -28.016  27.928
  378    HG   SER  52           HG       SER  52 -24.245 -28.323  26.107
  379    H    VAL  53           H        VAL  53 -23.871 -25.520  25.226
  380    HA   VAL  53           HA       VAL  53 -22.109 -23.312  26.234
  381    HB   VAL  53           HB       VAL  53 -21.860 -25.105  23.784
  382   HG11  VAL  53          HG11      VAL  53 -19.728 -23.937  23.322
  383   HG12  VAL  53          HG12      VAL  53 -21.088 -22.835  23.194
  384   HG13  VAL  53          HG13      VAL  53 -20.064 -22.791  24.645
  385   HG21  VAL  53          HG21      VAL  53 -19.761 -25.868  24.822
  386   HG22  VAL  53          HG22      VAL  53 -20.073 -24.835  26.237
  387   HG23  VAL  53          HG23      VAL  53 -21.136 -26.211  25.871
  388    H    LEU  54           H        LEU  54 -22.441 -21.317  25.420
  389    HA   LEU  54           HA       LEU  54 -24.243 -20.891  23.067
  390    HB2  LEU  54           HB2      LEU  54 -24.064 -19.240  25.628
  391    HB3  LEU  54           HB3      LEU  54 -25.015 -18.805  24.213
  392    HG   LEU  54           HG       LEU  54 -25.500 -21.278  25.938
  393   HD11  LEU  54          HD11      LEU  54 -27.479 -20.065  26.742
  394   HD12  LEU  54          HD12      LEU  54 -25.991 -19.187  27.131
  395   HD13  LEU  54          HD13      LEU  54 -27.020 -18.639  25.784
  396   HD21  LEU  54          HD21      LEU  54 -27.657 -21.421  24.719
  397   HD22  LEU  54          HD22      LEU  54 -27.156 -20.086  23.658
  398   HD23  LEU  54          HD23      LEU  54 -26.294 -21.641  23.616
  399    H    SER  55           H        SER  55 -23.833 -18.844  21.945
  400    HA   SER  55           HA       SER  55 -21.051 -18.552  21.314
  401    HB2  SER  55           HB2      SER  55 -23.349 -16.738  20.546
  402    HB3  SER  55           HB3      SER  55 -21.767 -16.853  19.756
  403    HG   SER  55           HG       SER  55 -22.238 -18.933  19.085
  404    H    ASN  56           H        ASN  56 -19.506 -17.198  21.917
  405    HA   ASN  56           HA       ASN  56 -19.923 -15.186  23.999
  406    HB2  ASN  56           HB2      ASN  56 -17.848 -16.713  23.610
  407    HB3  ASN  56           HB3      ASN  56 -17.459 -15.602  22.285
  408   HD21  ASN  56          HD22      ASN  56 -15.449 -15.556  23.854
  409   HD22  ASN  56          HD21      ASN  56 -15.489 -14.272  25.049
  410    H    SER  57           H        SER  57 -19.187 -12.914  23.660
  411    HA   SER  57           HA       SER  57 -20.088 -11.808  21.075
  412    HB2  SER  57           HB2      SER  57 -19.013 -10.352  23.520
  413    HB3  SER  57           HB3      SER  57 -19.845  -9.628  22.132
  414    HG   SER  57           HG       SER  57 -21.223  -9.979  23.969
  415    H    ALA  58           H        ALA  58 -18.794 -10.181  19.932
  416    HA   ALA  58           HA       ALA  58 -15.975 -10.911  19.562
  417    HB1  ALA  58           HB1      ALA  58 -16.096  -9.386  17.706
  418    HB2  ALA  58           HB2      ALA  58 -17.686 -10.179  17.740
  419    HB3  ALA  58           HB3      ALA  58 -17.503  -8.547  18.384
  420    H    GLU  59           H        GLU  59 -14.235  -9.311  19.849
  421    HA   GLU  59           HA       GLU  59 -14.839  -6.969  21.574
  422    HB2  GLU  59           HB2      GLU  59 -14.297  -8.873  23.090
  423    HB3  GLU  59           HB3      GLU  59 -12.711  -9.027  22.303
  424    HG2  GLU  59           HG2      GLU  59 -12.086  -6.779  23.049
  425    HG3  GLU  59           HG3      GLU  59 -13.715  -6.486  23.667
  426    H    VAL  60           H        VAL  60 -13.699  -5.212  21.040
  427    HA   VAL  60           HA       VAL  60 -11.496  -5.385  19.053
  428    HB   VAL  60           HB       VAL  60 -12.837  -3.009  20.390
  429   HG11  VAL  60          HG11      VAL  60 -11.617  -1.641  18.672
  430   HG12  VAL  60          HG12      VAL  60 -10.517  -2.397  19.824
  431   HG13  VAL  60          HG13      VAL  60 -10.705  -3.095  18.206
  432   HG21  VAL  60          HG21      VAL  60 -12.969  -4.110  17.544
  433   HG22  VAL  60          HG22      VAL  60 -14.272  -4.185  18.736
  434   HG23  VAL  60          HG23      VAL  60 -13.754  -2.616  18.102
  435    H    LYS  61           H        LYS  61  -9.422  -5.442  19.616
  436    HA   LYS  61           HA       LYS  61  -8.583  -4.905  22.450
  437    HB2  LYS  61           HB2      LYS  61  -7.905  -7.240  20.582
  438    HB3  LYS  61           HB3      LYS  61  -7.146  -6.954  22.158
  439    HG2  LYS  61           HG2      LYS  61  -9.464  -7.091  23.203
  440    HG3  LYS  61           HG3      LYS  61 -10.102  -7.505  21.610
  441    HD2  LYS  61           HD2      LYS  61  -9.872  -9.548  22.727
  442    HD3  LYS  61           HD3      LYS  61  -8.518  -9.485  21.575
  443    HE2  LYS  61           HE2      LYS  61  -6.985  -8.773  23.389
  444    HE3  LYS  61           HE3      LYS  61  -8.338  -8.744  24.535
  445    HZ1  LYS  61           HZ1      LYS  61  -7.335 -11.178  23.153
  446    HZ2  LYS  61           HZ2      LYS  61  -7.059 -10.798  24.716
  447    HZ3  LYS  61           HZ3      LYS  61  -8.579 -11.137  24.225
  448    H    ARG  62           H        ARG  62  -6.390  -4.359  22.815
  449    HA   ARG  62           HA       ARG  62  -4.952  -3.092  20.513
  450    HB2  ARG  62           HB2      ARG  62  -5.639  -1.570  22.336
  451    HB3  ARG  62           HB3      ARG  62  -4.717  -2.530  23.500
  452    HG2  ARG  62           HG2      ARG  62  -2.623  -1.978  22.245
  453    HG3  ARG  62           HG3      ARG  62  -3.581  -1.041  21.082
  454    HD2  ARG  62           HD2      ARG  62  -4.316   0.461  22.922
  455    HD3  ARG  62           HD3      ARG  62  -3.352  -0.462  24.073
  456    HE   ARG  62           HE       ARG  62  -2.445   1.541  22.179
  457   HH11  ARG  62          HH11      ARG  62  -1.272  -1.213  24.084
  458   HH12  ARG  62          HH12      ARG  62   0.377  -0.667  24.009
  459   HH21  ARG  62          HH21      ARG  62  -0.297   2.171  22.118
  460   HH22  ARG  62          HH22      ARG  62   0.919   1.201  22.892
  461    H    GLU  63           H        GLU  63  -2.863  -3.689  20.066
  462    HA   GLU  63           HA       GLU  63  -1.255  -5.457  21.724
  463    HB2  GLU  63           HB2      GLU  63  -3.128  -6.933  20.902
  464    HB3  GLU  63           HB3      GLU  63  -2.646  -6.571  19.248
  465    HG2  GLU  63           HG2      GLU  63  -1.977  -8.795  20.157
  466    HG3  GLU  63           HG3      GLU  63  -0.649  -7.849  19.497
  467    H    ARG  64           H        ARG  64   0.666  -6.309  20.314
  468    HA   ARG  64           HA       ARG  64   1.580  -4.183  18.442
  469    HB2  ARG  64           HB2      ARG  64   3.000  -6.537  19.739
  470    HB3  ARG  64           HB3      ARG  64   3.747  -5.461  18.545
  471    HG2  ARG  64           HG2      ARG  64   3.399  -3.512  19.998
  472    HG3  ARG  64           HG3      ARG  64   2.576  -4.517  21.205
  473    HD2  ARG  64           HD2      ARG  64   4.611  -5.858  21.512
  474    HD3  ARG  64           HD3      ARG  64   5.461  -4.878  20.296
  475    HE   ARG  64           HE       ARG  64   4.629  -2.978  22.049
  476   HH11  ARG  64          HH11      ARG  64   6.500  -5.944  22.564
  477   HH12  ARG  64          HH12      ARG  64   7.296  -5.306  23.968
  478   HH21  ARG  64          HH22      ARG  64   5.680  -2.225  23.876
  479   HH22  ARG  64          HH21      ARG  64   6.844  -3.226  24.699
  480    H    LEU  65           H        LEU  65   2.053  -4.562  16.275
  481    HA   LEU  65           HA       LEU  65   0.341  -6.307  14.891
  482    HB2  LEU  65           HB2      LEU  65   1.344  -4.293  13.878
  483    HB3  LEU  65           HB3      LEU  65   2.948  -5.024  13.949
  484    HG   LEU  65           HG       LEU  65   2.225  -6.788  12.345
  485   HD11  LEU  65          HD11      LEU  65  -0.356  -5.183  12.078
  486   HD12  LEU  65          HD12      LEU  65   0.126  -6.570  11.091
  487   HD13  LEU  65          HD13      LEU  65  -0.238  -6.795  12.805
  488   HD21  LEU  65          HD21      LEU  65   3.297  -4.697  11.546
  489   HD22  LEU  65          HD22      LEU  65   2.186  -5.405  10.358
  490   HD23  LEU  65          HD23      LEU  65   1.681  -3.993  11.298
  491    H    GLU  66           H        GLU  66   3.866  -6.837  15.436
  492    HA   GLU  66           HA       GLU  66   4.049  -9.309  14.154
  493    HB2  GLU  66           HB2      GLU  66   6.071  -9.695  15.404
  494    HB3  GLU  66           HB3      GLU  66   5.968  -8.014  14.895
  495    HG2  GLU  66           HG2      GLU  66   5.220  -7.382  17.211
  496    HG3  GLU  66           HG3      GLU  66   5.410  -9.070  17.705
  497    H    ASP  67           H        ASP  67   2.671  -8.742  17.390
  498    HA   ASP  67           HA       ASP  67   2.583 -11.599  18.053
  499    HB2  ASP  67           HB2      ASP  67   2.831  -9.821  19.771
  500    HB3  ASP  67           HB3      ASP  67   1.222  -9.219  19.359
  501    H    VAL  68           H        VAL  68   0.266  -9.096  16.915
  502    HA   VAL  68           HA       VAL  68  -1.966 -10.866  16.668
  503    HB   VAL  68           HB       VAL  68  -1.450  -8.453  14.909
  504   HG11  VAL  68          HG11      VAL  68  -3.923  -8.427  14.666
  505   HG12  VAL  68          HG12      VAL  68  -3.253  -9.928  14.024
  506   HG13  VAL  68          HG13      VAL  68  -4.039  -9.923  15.613
  507   HG21  VAL  68          HG21      VAL  68  -2.990  -7.301  16.543
  508   HG22  VAL  68          HG22      VAL  68  -2.870  -8.715  17.600
  509   HG23  VAL  68          HG23      VAL  68  -1.431  -7.737  17.237
  510    H    VAL  69           H        VAL  69   0.697 -10.196  14.475
  511    HA   VAL  69           HA       VAL  69  -0.343 -11.798  12.295
  512    HB   VAL  69           HB       VAL  69   2.316 -10.476  12.886
  513   HG11  VAL  69          HG11      VAL  69   2.907 -10.779  10.511
  514   HG12  VAL  69          HG12      VAL  69   2.849 -12.303  11.377
  515   HG13  VAL  69          HG13      VAL  69   1.499 -11.856  10.305
  516   HG21  VAL  69          HG21      VAL  69   0.171  -9.804  10.828
  517   HG22  VAL  69          HG22      VAL  69   0.221  -9.086  12.441
  518   HG23  VAL  69          HG23      VAL  69   1.563  -8.813  11.298
  519    H    GLY  70           H        GLY  70   2.047 -12.492  14.895
  520    HA2  GLY  70           HA2      GLY  70   2.813 -14.515  15.687
  521    HA3  GLY  70           HA3      GLY  70   1.588 -15.333  14.687
  522    H    GLY  71           H        GLY  71   3.942 -13.247  13.156
  523    HA2  GLY  71           HA2      GLY  71   5.780 -13.697  11.801
  524    HA3  GLY  71           HA3      GLY  71   5.726 -15.406  12.281
  525    H    CYS  72           H        CYS  72   2.655 -14.569  11.220
  526    HA   CYS  72           HA       CYS  72   3.016 -15.980   8.667
  527    HB2  CYS  72           HB2      CYS  72   1.216 -16.336  10.498
  528    HB3  CYS  72           HB3      CYS  72   0.417 -14.901   9.838
  529    HG   CYS  72           HG       CYS  72  -0.455 -17.438   9.104
  530    H    CYS  73           H        CYS  73   1.046 -14.943   7.085
  531    HA   CYS  73           HA       CYS  73   2.404 -12.634   5.893
  532    HB2  CYS  73           HB2      CYS  73   0.034 -14.322   4.950
  533    HB3  CYS  73           HB3      CYS  73   0.863 -13.091   3.987
  534    HG   CYS  73           HG       CYS  73   1.644 -15.489   3.203
  535    H    TYR  74           H        TYR  74   1.490 -10.682   5.272
  536    HA   TYR  74           HA       TYR  74  -1.194  -9.883   5.920
  537    HB2  TYR  74           HB2      TYR  74  -0.774  -8.223   7.606
  538    HB3  TYR  74           HB3      TYR  74  -0.199  -9.760   8.193
  539    HD1  TYR  74           HD1      TYR  74   2.253 -10.219   8.357
  540    HD2  TYR  74           HD2      TYR  74   0.746  -6.359   7.174
  541    HE1  TYR  74           HE1      TYR  74   4.460  -9.192   8.894
  542    HE2  TYR  74           HE2      TYR  74   2.945  -5.334   7.675
  543    HH   TYR  74           HH       TYR  74   5.073  -5.682   8.484
  544    H    ARG  75           H        ARG  75  -1.675  -7.622   5.371
  545    HA   ARG  75           HA       ARG  75   0.149  -6.008   3.828
  546    HB2  ARG  75           HB2      ARG  75  -0.716  -6.220   1.633
  547    HB3  ARG  75           HB3      ARG  75  -0.215  -7.802   2.176
  548    HG2  ARG  75           HG2      ARG  75  -3.074  -6.785   1.941
  549    HG3  ARG  75           HG3      ARG  75  -2.257  -7.952   0.893
  550    HD2  ARG  75           HD2      ARG  75  -1.981  -9.430   2.952
  551    HD3  ARG  75           HD3      ARG  75  -3.062  -8.294   3.783
  552    HE   ARG  75           HE       ARG  75  -4.275  -9.218   1.356
  553   HH11  ARG  75          HH11      ARG  75  -3.728 -10.217   4.753
  554   HH12  ARG  75          HH12      ARG  75  -4.915 -11.513   4.574
  555   HH21  ARG  75          HH21      ARG  75  -5.917 -10.881   1.442
  556   HH22  ARG  75          HH22      ARG  75  -6.068 -11.790   2.947
  557    H    VAL  76           H        VAL  76  -0.844  -3.953   3.099
  558    HA   VAL  76           HA       VAL  76  -3.230  -3.282   4.710
  559    HB   VAL  76           HB       VAL  76  -1.336  -1.535   3.147
  560   HG11  VAL  76          HG11      VAL  76  -3.889  -0.553   4.549
  561   HG12  VAL  76          HG12      VAL  76  -2.586   0.454   3.891
  562   HG13  VAL  76          HG13      VAL  76  -3.570  -0.503   2.800
  563   HG21  VAL  76          HG21      VAL  76  -0.882  -0.572   5.357
  564   HG22  VAL  76          HG22      VAL  76  -2.167  -1.552   6.085
  565   HG23  VAL  76          HG23      VAL  76  -0.698  -2.334   5.456
  566    H    ASN  77           H        ASN  77  -5.192  -2.743   3.961
  567    HA   ASN  77           HA       ASN  77  -5.731  -2.473   1.081
  568    HB2  ASN  77           HB2      ASN  77  -5.909  -4.899   1.490
  569    HB3  ASN  77           HB3      ASN  77  -7.092  -4.603   2.765
  570   HD21  ASN  77          HD22      ASN  77  -8.252  -6.161   1.249
  571   HD22  ASN  77          HD21      ASN  77  -9.237  -5.434  -0.029
  572    H    ASN  78           H        ASN  78  -6.168  -0.338   1.595
  573    HA   ASN  78           HA       ASN  78  -8.458   0.421   3.296
  574    HB2  ASN  78           HB2      ASN  78  -6.519   1.936   1.508
  575    HB3  ASN  78           HB3      ASN  78  -7.926   2.699   2.207
  576   HD21  ASN  78          HD22      ASN  78  -5.497   3.758   2.715
  577   HD22  ASN  78          HD21      ASN  78  -5.020   3.451   4.373
  578    H    SER  79           H        SER  79  -9.650  -1.259   2.079
  579    HA   SER  79           HA       SER  79 -10.302  -1.225  -0.638
  580    HB2  SER  79           HB2      SER  79 -12.216  -2.693   0.024
  581    HB3  SER  79           HB3      SER  79 -10.636  -3.177   0.645
  582    HG   SER  79           HG       SER  79 -12.199  -3.326   2.249
  583    H    LEU  80           H        LEU  80 -13.049  -0.619   1.544
  584    HA   LEU  80           HA       LEU  80 -14.502   0.908  -0.410
  585    HB2  LEU  80           HB2      LEU  80 -14.770   0.764   2.629
  586    HB3  LEU  80           HB3      LEU  80 -15.884   1.633   1.606
  587    HG   LEU  80           HG       LEU  80 -15.425  -1.367   1.495
  588   HD11  LEU  80          HD11      LEU  80 -17.676  -1.481   2.478
  589   HD12  LEU  80          HD12      LEU  80 -16.609  -0.525   3.524
  590   HD13  LEU  80          HD13      LEU  80 -17.793   0.294   2.490
  591   HD21  LEU  80          HD21      LEU  80 -17.477  -1.317   0.012
  592   HD22  LEU  80          HD22      LEU  80 -17.316   0.456  -0.076
  593   HD23  LEU  80          HD23      LEU  80 -16.050  -0.592  -0.738
  594    H    ASP  81           H        ASP  81 -12.060   1.940   1.803
  595    HA   ASP  81           HA       ASP  81 -12.466   4.708   2.013
  596    HB2  ASP  81           HB2      ASP  81  -9.808   3.382   1.472
  597    HB3  ASP  81           HB3      ASP  81 -10.112   4.785   2.478
  598    H    HIS  82           H        HIS  82 -11.190   2.774  -0.694
  599    HA   HIS  82           HA       HIS  82 -10.227   4.909  -2.352
  600    HB2  HIS  82           HB2      HIS  82  -9.841   2.322  -2.395
  601    HB3  HIS  82           HB3      HIS  82 -11.361   2.237  -3.285
  602    HD1  HIS  82           HD1      HIS  82 -10.863   4.667  -5.320
  603    HD2  HIS  82           HD2      HIS  82  -8.079   1.729  -4.187
  604    HE1  HIS  82           HE1      HIS  82  -9.140   4.555  -7.208
  605    H    GLU  83           H        GLU  83 -13.474   3.920  -1.596
  606    HA   GLU  83           HA       GLU  83 -14.663   4.825  -4.118
  607    HB2  GLU  83           HB2      GLU  83 -15.298   2.759  -2.660
  608    HB3  GLU  83           HB3      GLU  83 -16.109   3.926  -1.619
  609    HG2  GLU  83           HG2      GLU  83 -17.704   2.944  -3.107
  610    HG3  GLU  83           HG3      GLU  83 -17.514   4.643  -3.533
  611    H    TYR  84           H        TYR  84 -14.152   6.090  -0.873
  612    HA   TYR  84           HA       TYR  84 -15.977   8.424  -1.438
  613    HB2  TYR  84           HB2      TYR  84 -15.416   7.253   1.289
  614    HB3  TYR  84           HB3      TYR  84 -16.717   8.317   0.815
  615    HD1  TYR  84           HD1      TYR  84 -18.213   7.137  -1.274
  616    HD2  TYR  84           HD2      TYR  84 -16.065   5.132   1.886
  617    HE1  TYR  84           HE1      TYR  84 -19.719   5.165  -1.495
  618    HE2  TYR  84           HE2      TYR  84 -17.590   3.192   1.706
  619    HH   TYR  84           HH       TYR  84 -19.384   2.274   0.599
  620    H    GLN  85           H        GLN  85 -12.757   7.639  -0.172
  621    HA   GLN  85           HA       GLN  85 -13.235   9.675   1.906
  622    HB2  GLN  85           HB2      GLN  85 -13.168   7.124   2.153
  623    HB3  GLN  85           HB3      GLN  85 -11.428   7.248   1.894
  624    HG2  GLN  85           HG2      GLN  85 -11.529   8.942   3.918
  625    HG3  GLN  85           HG3      GLN  85 -13.080   8.141   4.242
  626   HE21  GLN  85          HE22      GLN  85 -12.976   5.627   4.355
  627   HE22  GLN  85          HE21      GLN  85 -11.400   4.914   4.773
  628    HA   PRO  86           HA       PRO  86  -9.292  11.793   0.848
  629    HB2  PRO  86           HB2      PRO  86 -10.192  13.494   3.162
  630    HB3  PRO  86           HB3      PRO  86  -9.544  13.996   1.572
  631    HG2  PRO  86           HG2      PRO  86 -12.196  14.169   2.078
  632    HG3  PRO  86           HG3      PRO  86 -11.630  13.535   0.493
  633    HD2  PRO  86           HD2      PRO  86 -12.486  11.978   2.950
  634    HD3  PRO  86           HD3      PRO  86 -13.014  11.773   1.251
  635    H    ARG  87           H        ARG  87 -10.299  10.443   3.916
  636    HA   ARG  87           HA       ARG  87  -9.294   9.394   5.575
  637    HB2  ARG  87           HB2      ARG  87  -8.212   8.282   3.727
  638    HB3  ARG  87           HB3      ARG  87  -6.868   9.394   3.766
  639    HG2  ARG  87           HG2      ARG  87  -6.480   7.135   4.788
  640    HG3  ARG  87           HG3      ARG  87  -5.987   8.501   5.763
  641    HD2  ARG  87           HD2      ARG  87  -7.521   8.111   7.425
  642    HD3  ARG  87           HD3      ARG  87  -8.740   7.456   6.365
  643    HE   ARG  87           HE       ARG  87  -6.634   5.971   7.742
  644   HH11  ARG  87          HH21      ARG  87  -8.798   5.859   4.958
  645   HH12  ARG  87          HH22      ARG  87  -8.847   4.134   4.949
  646   HH21  ARG  87          HH11      ARG  87  -6.607   3.723   7.547
  647   HH22  ARG  87          HH12      ARG  87  -7.361   2.955   6.161
  648    HA   PRO  88           HA       PRO  88  -7.243  12.831   7.845
  649    HB2  PRO  88           HB2      PRO  88  -9.045  13.140   9.831
  650    HB3  PRO  88           HB3      PRO  88  -9.284  13.864   8.214
  651    HG2  PRO  88           HG2      PRO  88 -10.465  11.274   9.257
  652    HG3  PRO  88           HG3      PRO  88 -11.305  12.626   8.438
  653    HD2  PRO  88           HD2      PRO  88 -10.442  10.369   7.128
  654    HD3  PRO  88           HD3      PRO  88 -10.459  11.975   6.339
  655    H    VAL  89           H        VAL  89  -5.563  11.410   8.330
  656    HA   VAL  89           HA       VAL  89  -5.862   8.868   9.492
  657    HB   VAL  89           HB       VAL  89  -3.497  10.734   9.226
  658   HG11  VAL  89          HG11      VAL  89  -2.835   9.489  11.180
  659   HG12  VAL  89          HG12      VAL  89  -3.421   7.964  10.480
  660   HG13  VAL  89          HG13      VAL  89  -1.993   8.782   9.802
  661   HG21  VAL  89          HG21      VAL  89  -4.407   9.667   7.195
  662   HG22  VAL  89          HG22      VAL  89  -2.790   9.050   7.554
  663   HG23  VAL  89          HG23      VAL  89  -4.213   8.063   7.940
  664    H    GLU  90           H        GLU  90  -5.176  11.946  11.203
  665    HA   GLU  90           HA       GLU  90  -4.757  10.686  13.751
  666    HB2  GLU  90           HB2      GLU  90  -4.879  12.886  14.708
  667    HB3  GLU  90           HB3      GLU  90  -3.912  12.903  13.233
  668    HG2  GLU  90           HG2      GLU  90  -5.894  13.875  12.012
  669    HG3  GLU  90           HG3      GLU  90  -6.752  13.956  13.559
  670    H    VAL  91           H        VAL  91  -7.693  11.897  12.187
  671    HA   VAL  91           HA       VAL  91  -9.425  11.571  14.488
  672    HB   VAL  91           HB       VAL  91 -10.038  11.703  11.524
  673   HG11  VAL  91          HG11      VAL  91 -12.003  11.779  13.855
  674   HG12  VAL  91          HG12      VAL  91 -12.398  12.217  12.179
  675   HG13  VAL  91          HG13      VAL  91 -11.935  10.560  12.561
  676   HG21  VAL  91          HG21      VAL  91  -9.086  13.787  12.445
  677   HG22  VAL  91          HG22      VAL  91 -10.788  14.012  12.036
  678   HG23  VAL  91          HG23      VAL  91 -10.312  13.786  13.731
  679    H    ILE  92           H        ILE  92  -8.627   9.445  11.686
  680    HA   ILE  92           HA       ILE  92 -10.352   7.285  12.632
  681    HB   ILE  92           HB       ILE  92  -8.314   7.611  10.431
  682   HG12  ILE  92          HG12      ILE  92 -11.285   6.879  10.442
  683   HG13  ILE  92          HG13      ILE  92 -10.727   8.539  10.442
  684   HG21  ILE  92          HG21      ILE  92  -7.967   5.296  11.152
  685   HG22  ILE  92          HG22      ILE  92  -9.720   4.997  11.155
  686   HG23  ILE  92          HG23      ILE  92  -8.858   5.311   9.635
  687   HD11  ILE  92          HD11      ILE  92  -9.661   8.283   8.304
  688   HD12  ILE  92          HD12      ILE  92 -10.120   6.554   8.224
  689   HD13  ILE  92          HD13      ILE  92 -11.365   7.817   8.205
  690    H    ILE  93           H        ILE  93  -6.883   7.949  13.186
  691    HA   ILE  93           HA       ILE  93  -6.503   5.546  14.800
  692    HB   ILE  93           HB       ILE  93  -5.095   8.247  14.711
  693   HG12  ILE  93          HG12      ILE  93  -4.171   5.457  13.838
  694   HG13  ILE  93          HG13      ILE  93  -4.903   6.631  12.751
  695   HG21  ILE  93          HG21      ILE  93  -4.801   7.391  16.999
  696   HG22  ILE  93          HG22      ILE  93  -4.327   5.799  16.370
  697   HG23  ILE  93          HG23      ILE  93  -3.298   7.227  16.125
  698   HD11  ILE  93          HD11      ILE  93  -2.533   6.784  12.463
  699   HD12  ILE  93          HD12      ILE  93  -3.072   8.252  13.299
  700   HD13  ILE  93          HD13      ILE  93  -2.246   6.952  14.196
  701    H    SER  94           H        SER  94  -7.714   8.827  15.579
  702    HA   SER  94           HA       SER  94  -7.914   8.374  18.403
  703    HB2  SER  94           HB2      SER  94  -9.605  10.218  16.663
  704    HB3  SER  94           HB3      SER  94  -9.485  10.252  18.426
  705    HG   SER  94           HG       SER  94  -7.445  10.786  16.509
  706    H    SER  95           H        SER  95 -10.324   7.879  15.772
  707    HA   SER  95           HA       SER  95 -12.431   6.774  17.289
  708    HB2  SER  95           HB2      SER  95 -11.436   6.190  14.477
  709    HB3  SER  95           HB3      SER  95 -12.948   5.537  15.139
  710    HG   SER  95           HG       SER  95 -13.364   7.457  14.002
  711    H    ALA  96           H        ALA  96  -9.545   5.077  15.899
  712    HA   ALA  96           HA       ALA  96 -10.266   2.474  16.832
  713    HB1  ALA  96           HB1      ALA  96  -7.454   3.590  16.433
  714    HB2  ALA  96           HB2      ALA  96  -8.012   1.917  16.191
  715    HB3  ALA  96           HB3      ALA  96  -8.526   3.198  15.087
  716    H    LYS  97           H        LYS  97  -8.205   4.979  18.366
  717    HA   LYS  97           HA       LYS  97  -7.808   3.527  20.844
  718    HB2  LYS  97           HB2      LYS  97  -7.579   6.482  20.141
  719    HB3  LYS  97           HB3      LYS  97  -7.078   5.761  21.681
  720    HG2  LYS  97           HG2      LYS  97  -5.409   4.366  20.566
  721    HG3  LYS  97           HG3      LYS  97  -5.893   4.991  18.980
  722    HD2  LYS  97           HD2      LYS  97  -5.273   7.289  19.677
  723    HD3  LYS  97           HD3      LYS  97  -4.815   6.681  21.280
  724    HE2  LYS  97           HE2      LYS  97  -3.079   5.228  20.221
  725    HE3  LYS  97           HE3      LYS  97  -3.524   5.869  18.630
  726    HZ1  LYS  97           HZ1      LYS  97  -2.849   8.086  19.424
  727    HZ2  LYS  97           HZ2      LYS  97  -2.428   7.481  20.882
  728    HZ3  LYS  97           HZ3      LYS  97  -1.600   7.038  19.545
  729    H    GLU  98           H        GLU  98 -10.606   5.332  19.738
  730    HA   GLU  98           HA       GLU  98 -11.783   5.345  22.419
  731    HB2  GLU  98           HB2      GLU  98 -12.797   6.179  19.689
  732    HB3  GLU  98           HB3      GLU  98 -13.865   6.050  21.091
  733    HG2  GLU  98           HG2      GLU  98 -12.429   7.627  22.358
  734    HG3  GLU  98           HG3      GLU  98 -11.392   7.826  20.949
  735    H    MET  99           H        MET  99 -12.092   3.440  19.424
  736    HA   MET  99           HA       MET  99 -14.155   1.670  20.380
  737    HB2  MET  99           HB2      MET  99 -12.100   1.441  18.138
  738    HB3  MET  99           HB3      MET  99 -13.284   0.183  18.496
  739    HG2  MET  99           HG2      MET  99 -15.138   1.769  18.153
  740    HG3  MET  99           HG3      MET  99 -13.989   3.057  17.817
  741    HE1  MET  99           HE1      MET  99 -14.785  -0.580  15.050
  742    HE2  MET  99           HE2      MET  99 -13.815  -0.769  16.518
  743    HE3  MET  99           HE3      MET  99 -15.534  -0.329  16.649
  744    H    VAL 100           H        VAL 100 -10.666   1.551  20.859
  745    HA   VAL 100           HA       VAL 100 -10.264  -1.051  21.595
  746    HB   VAL 100           HB       VAL 100  -8.592   0.794  21.703
  747   HG11  VAL 100          HG11      VAL 100  -9.326   1.221  24.601
  748   HG12  VAL 100          HG12      VAL 100  -8.192   2.123  23.574
  749   HG13  VAL 100          HG13      VAL 100  -9.941   2.259  23.303
  750   HG21  VAL 100          HG21      VAL 100  -8.616  -1.102  24.088
  751   HG22  VAL 100          HG22      VAL 100  -8.068  -1.494  22.441
  752   HG23  VAL 100          HG23      VAL 100  -7.197  -0.286  23.412
  753    H    GLY 101           H        GLY 101 -11.039  -2.494  22.880
  754    HA2  GLY 101           HA2      GLY 101 -11.889  -3.504  24.791
  755    HA3  GLY 101           HA3      GLY 101 -12.204  -1.913  25.523
  756    H    GLN 102           H        GLN 102 -13.646  -1.647  22.513
  757    HA   GLN 102           HA       GLN 102 -16.270  -2.124  23.657
  758    HB2  GLN 102           HB2      GLN 102 -17.171  -0.965  21.909
  759    HB3  GLN 102           HB3      GLN 102 -15.608  -0.212  22.100
  760    HG2  GLN 102           HG2      GLN 102 -15.668  -0.389  19.811
  761    HG3  GLN 102           HG3      GLN 102 -14.870  -1.913  20.190
  762   HE21  GLN 102          HE22      GLN 102 -18.230  -0.560  19.688
  763   HE22  GLN 102          HE21      GLN 102 -18.790  -1.999  18.859
  764    H    LYS 103           H        LYS 103 -17.914  -3.299  22.534
  765    HA   LYS 103           HA       LYS 103 -16.998  -5.916  21.421
  766    HB2  LYS 103           HB2      LYS 103 -18.973  -5.438  23.700
  767    HB3  LYS 103           HB3      LYS 103 -18.690  -7.006  22.926
  768    HG2  LYS 103           HG2      LYS 103 -16.314  -6.943  23.643
  769    HG3  LYS 103           HG3      LYS 103 -16.593  -5.381  24.432
  770    HD2  LYS 103           HD2      LYS 103 -18.267  -6.421  25.938
  771    HD3  LYS 103           HD3      LYS 103 -18.040  -7.971  25.123
  772    HE2  LYS 103           HE2      LYS 103 -16.777  -8.032  27.164
  773    HE3  LYS 103           HE3      LYS 103 -15.647  -7.993  25.807
  774    HZ1  LYS 103           HZ1      LYS 103 -15.325  -5.606  26.244
  775    HZ2  LYS 103           HZ2      LYS 103 -16.379  -5.661  27.508
  776    HZ3  LYS 103           HZ3      LYS 103 -14.961  -6.483  27.559
  777    H    MET 104           H        MET 104 -18.573  -7.172  20.344
  778    HA   MET 104           HA       MET 104 -21.136  -5.923  19.493
  779    HB2  MET 104           HB2      MET 104 -19.018  -6.884  17.517
  780    HB3  MET 104           HB3      MET 104 -20.689  -6.489  17.096
  781    HG2  MET 104           HG2      MET 104 -20.289  -4.162  17.992
  782    HG3  MET 104           HG3      MET 104 -18.581  -4.572  18.117
  783    HE1  MET 104           HE1      MET 104 -17.016  -5.118  16.075
  784    HE2  MET 104           HE2      MET 104 -18.111  -6.394  15.505
  785    HE3  MET 104           HE3      MET 104 -17.567  -5.145  14.380
  786    H    LYS 105           H        LYS 105 -22.648  -7.456  18.630
  787    HA   LYS 105           HA       LYS 105 -21.776 -10.300  18.470
  788    HB2  LYS 105           HB2      LYS 105 -22.796  -9.512  20.789
  789    HB3  LYS 105           HB3      LYS 105 -24.341  -9.662  19.950
  790    HG2  LYS 105           HG2      LYS 105 -23.794 -12.055  19.440
  791    HG3  LYS 105           HG3      LYS 105 -22.197 -11.828  20.170
  792    HD2  LYS 105           HD2      LYS 105 -23.408 -11.205  22.338
  793    HD3  LYS 105           HD3      LYS 105 -24.904 -11.780  21.569
  794    HE2  LYS 105           HE2      LYS 105 -23.856 -13.999  21.182
  795    HE3  LYS 105           HE3      LYS 105 -22.329 -13.402  21.859
  796    HZ1  LYS 105           HZ1      LYS 105 -23.514 -14.654  23.505
  797    HZ2  LYS 105           HZ2      LYS 105 -23.493 -13.083  23.988
  798    HZ3  LYS 105           HZ3      LYS 105 -24.867 -13.730  23.366
  799    H    TYR 106           H        TYR 106 -23.274  -7.836  16.886
  800    HA   TYR 106           HA       TYR 106 -25.420  -9.390  15.601
  801    HB2  TYR 106           HB2      TYR 106 -25.910  -7.283  14.438
  802    HB3  TYR 106           HB3      TYR 106 -25.972  -7.177  16.180
  803    HD1  TYR 106           HD1      TYR 106 -24.108  -6.102  13.166
  804    HD2  TYR 106           HD2      TYR 106 -24.488  -5.735  17.445
  805    HE1  TYR 106           HE1      TYR 106 -22.725  -4.028  13.111
  806    HE2  TYR 106           HE2      TYR 106 -23.080  -3.685  17.398
  807    HH   TYR 106           HH       TYR 106 -21.973  -2.165  16.071
  808    H    SER 107           H        SER 107 -25.619  -9.741  13.419
  809    HA   SER 107           HA       SER 107 -25.120 -10.239  11.266
  810    HB2  SER 107           HB2      SER 107 -22.443  -8.822  11.541
  811    HB3  SER 107           HB3      SER 107 -23.319  -9.224  10.065
  812    HG   SER 107           HG       SER 107 -24.975  -7.755  10.729
  813    H    ILE 108           H        ILE 108 -23.608 -11.468   9.799
  814    HA   ILE 108           HA       ILE 108 -22.489 -13.832  11.115
  815    HB   ILE 108           HB       ILE 108 -22.475 -12.870   8.209
  816   HG12  ILE 108          HG12      ILE 108 -24.159 -15.015   9.607
  817   HG13  ILE 108          HG13      ILE 108 -24.728 -13.407   9.178
  818   HG21  ILE 108          HG21      ILE 108 -21.660 -15.604   9.310
  819   HG22  ILE 108          HG22      ILE 108 -21.802 -15.177   7.593
  820   HG23  ILE 108          HG23      ILE 108 -20.571 -14.411   8.559
  821   HD11  ILE 108          HD11      ILE 108 -24.277 -13.929   6.756
  822   HD12  ILE 108          HD12      ILE 108 -23.966 -15.615   7.245
  823   HD13  ILE 108          HD13      ILE 108 -25.553 -14.898   7.526
  824    H    VAL 109           H        VAL 109 -20.268 -14.376  11.251
  825    HA   VAL 109           HA       VAL 109 -18.624 -12.479  12.257
  826    HB   VAL 109           HB       VAL 109 -18.307 -14.841  12.610
  827   HG11  VAL 109          HG11      VAL 109 -17.082 -16.301  11.088
  828   HG12  VAL 109          HG12      VAL 109 -18.540 -15.703  10.289
  829   HG13  VAL 109          HG13      VAL 109 -16.955 -15.009   9.882
  830   HG21  VAL 109          HG21      VAL 109 -15.914 -14.877  12.854
  831   HG22  VAL 109          HG22      VAL 109 -15.703 -13.666  11.574
  832   HG23  VAL 109          HG23      VAL 109 -16.459 -13.205  13.109
  833    H    SER 110           H        SER 110 -18.625 -13.276   8.763
  834    HA   SER 110           HA       SER 110 -16.252 -11.784   8.071
  835    HB2  SER 110           HB2      SER 110 -17.300 -11.852   5.775
  836    HB3  SER 110           HB3      SER 110 -17.095 -13.428   6.559
  837    HG   SER 110           HG       SER 110 -19.185 -13.180   5.597
  838    H    ARG 111           H        ARG 111 -19.749 -10.906   8.039
  839    HA   ARG 111           HA       ARG 111 -19.173  -8.143   7.384
  840    HB2  ARG 111           HB2      ARG 111 -21.357  -9.422   6.905
  841    HB3  ARG 111           HB3      ARG 111 -21.743  -9.166   8.601
  842    HG2  ARG 111           HG2      ARG 111 -22.787  -7.327   7.542
  843    HG3  ARG 111           HG3      ARG 111 -21.281  -6.622   8.123
  844    HD2  ARG 111           HD2      ARG 111 -21.609  -5.830   5.909
  845    HD3  ARG 111           HD3      ARG 111 -20.286  -7.001   5.835
  846    HE   ARG 111           HE       ARG 111 -22.879  -8.207   5.310
  847   HH11  ARG 111          HH21      ARG 111 -20.333  -6.311   3.717
  848   HH12  ARG 111          HH22      ARG 111 -20.757  -6.920   2.140
  849   HH21  ARG 111          HH11      ARG 111 -23.358  -8.953   3.245
  850   HH22  ARG 111          HH12      ARG 111 -22.452  -8.381   1.877
  851    H    ASN 112           H        ASN 112 -19.573  -9.900  10.449
  852    HA   ASN 112           HA       ASN 112 -19.611  -7.645  12.213
  853    HB2  ASN 112           HB2      ASN 112 -19.985 -10.074  12.798
  854    HB3  ASN 112           HB3      ASN 112 -18.246 -10.325  12.668
  855   HD21  ASN 112          HD22      ASN 112 -20.827  -8.836  14.587
  856   HD22  ASN 112          HD21      ASN 112 -19.797  -8.508  15.978
  857    H    CYS 113           H        CYS 113 -16.816  -9.310  10.697
  858    HA   CYS 113           HA       CYS 113 -14.793  -7.530  11.769
  859    HB2  CYS 113           HB2      CYS 113 -14.842  -9.421   9.355
  860    HB3  CYS 113           HB3      CYS 113 -13.400  -8.606   9.981
  861    HG   CYS 113           HG       CYS 113 -15.375 -10.799  11.481
  862    H    GLU 114           H        GLU 114 -16.545  -7.528   8.599
  863    HA   GLU 114           HA       GLU 114 -15.299  -5.180   7.599
  864    HB2  GLU 114           HB2      GLU 114 -16.658  -6.832   6.302
  865    HB3  GLU 114           HB3      GLU 114 -18.126  -6.145   7.018
  866    HG2  GLU 114           HG2      GLU 114 -17.578  -3.940   6.010
  867    HG3  GLU 114           HG3      GLU 114 -16.104  -4.624   5.314
  868    H    HIS 115           H        HIS 115 -18.390  -5.442   9.479
  869    HA   HIS 115           HA       HIS 115 -18.947  -2.674   9.664
  870    HB2  HIS 115           HB2      HIS 115 -19.573  -5.012  11.521
  871    HB3  HIS 115           HB3      HIS 115 -20.136  -3.372  11.814
  872    HD1  HIS 115           HD1      HIS 115 -22.202  -5.755  11.259
  873    HD2  HIS 115           HD2      HIS 115 -20.829  -2.855   8.532
  874    HE1  HIS 115           HE1      HIS 115 -24.021  -5.489   9.512
  875    H    PHE 116           H        PHE 116 -16.773  -4.715  11.691
  876    HA   PHE 116           HA       PHE 116 -15.990  -2.686  13.546
  877    HB2  PHE 116           HB2      PHE 116 -15.344  -4.811  14.176
  878    HB3  PHE 116           HB3      PHE 116 -14.856  -5.292  12.588
  879    HD1  PHE 116           HD2      PHE 116 -13.883  -3.015  15.399
  880    HD2  PHE 116           HD1      PHE 116 -12.548  -5.275  11.975
  881    HE1  PHE 116           HE2      PHE 116 -11.520  -2.557  16.011
  882    HE2  PHE 116           HE1      PHE 116 -10.185  -4.816  12.607
  883    HZ   PHE 116           HZ       PHE 116  -9.671  -3.479  14.633
  884    H    VAL 117           H        VAL 117 -14.271  -3.649  10.458
  885    HA   VAL 117           HA       VAL 117 -12.600  -1.312  10.752
  886    HB   VAL 117           HB       VAL 117 -11.890  -1.582   8.382
  887   HG11  VAL 117          HG11      VAL 117 -10.509  -3.472   8.898
  888   HG12  VAL 117          HG12      VAL 117 -10.700  -2.479  10.342
  889   HG13  VAL 117          HG13      VAL 117 -11.618  -3.998  10.189
  890   HG21  VAL 117          HG21      VAL 117 -13.445  -4.181   8.426
  891   HG22  VAL 117          HG22      VAL 117 -13.930  -2.736   7.508
  892   HG23  VAL 117          HG23      VAL 117 -12.402  -3.555   7.135
  893    H    THR 118           H        THR 118 -15.779  -1.563   9.312
  894    HA   THR 118           HA       THR 118 -15.609   1.040   7.977
  895    HB   THR 118           HB       THR 118 -18.189  -0.160   8.940
  896    HG1  THR 118           HG1      THR 118 -17.058  -1.766   7.712
  897   HG21  THR 118          HG21      THR 118 -17.439   1.534   6.518
  898   HG22  THR 118          HG22      THR 118 -19.055   0.934   6.915
  899   HG23  THR 118          HG23      THR 118 -18.279   2.120   7.976
  900    H    GLN 119           H        GLN 119 -16.698   0.007  11.265
  901    HA   GLN 119           HA       GLN 119 -17.268   2.693  12.160
  902    HB2  GLN 119           HB2      GLN 119 -16.593   0.094  13.558
  903    HB3  GLN 119           HB3      GLN 119 -16.824   1.599  14.458
  904    HG2  GLN 119           HG2      GLN 119 -19.082   1.860  13.737
  905    HG3  GLN 119           HG3      GLN 119 -18.918   0.620  12.489
  906   HE21  GLN 119          HE22      GLN 119 -18.484  -1.613  13.217
  907   HE22  GLN 119          HE21      GLN 119 -19.245  -2.151  14.727
  908    H    LEU 120           H        LEU 120 -14.162   0.939  11.900
  909    HA   LEU 120           HA       LEU 120 -12.631   3.005  13.229
  910    HB2  LEU 120           HB2      LEU 120 -11.886   0.857  11.201
  911    HB3  LEU 120           HB3      LEU 120 -10.712   1.943  11.918
  912    HG   LEU 120           HG       LEU 120 -12.485   0.126  13.612
  913   HD11  LEU 120          HD11      LEU 120 -11.292  -1.479  12.440
  914   HD12  LEU 120          HD12      LEU 120  -9.906  -0.423  12.145
  915   HD13  LEU 120          HD13      LEU 120 -10.147  -1.135  13.745
  916   HD21  LEU 120          HD21      LEU 120 -10.790   0.519  15.327
  917   HD22  LEU 120          HD22      LEU 120  -9.838   1.505  14.196
  918   HD23  LEU 120          HD23      LEU 120 -11.418   2.076  14.769
  919    H    ARG 121           H        ARG 121 -13.079   2.366   9.700
  920    HA   ARG 121           HA       ARG 121 -11.937   4.971   9.031
  921    HB2  ARG 121           HB2      ARG 121 -11.995   4.322   6.777
  922    HB3  ARG 121           HB3      ARG 121 -11.513   2.907   7.700
  923    HG2  ARG 121           HG2      ARG 121 -13.870   2.079   7.551
  924    HG3  ARG 121           HG3      ARG 121 -14.300   3.418   6.512
  925    HD2  ARG 121           HD2      ARG 121 -13.056   2.607   4.709
  926    HD3  ARG 121           HD3      ARG 121 -11.979   1.667   5.751
  927    HE   ARG 121           HE       ARG 121 -14.791   0.804   5.717
  928   HH11  ARG 121          HH21      ARG 121 -11.686   0.350   4.078
  929   HH12  ARG 121          HH22      ARG 121 -11.991  -1.333   3.750
  930   HH21  ARG 121          HH11      ARG 121 -15.125  -1.388   5.297
  931   HH22  ARG 121          HH12      ARG 121 -13.934  -2.292   4.411
  932    H    TYR 122           H        TYR 122 -14.817   4.507  10.307
  933    HA   TYR 122           HA       TYR 122 -16.832   5.342   8.705
  934    HB2  TYR 122           HB2      TYR 122 -16.689   4.609  11.211
  935    HB3  TYR 122           HB3      TYR 122 -16.648   6.310  11.571
  936    HD1  TYR 122           HD2      TYR 122 -18.673   7.714  11.137
  937    HD2  TYR 122           HD1      TYR 122 -18.656   3.464  10.372
  938    HE1  TYR 122           HE2      TYR 122 -21.156   7.722  11.033
  939    HE2  TYR 122           HE1      TYR 122 -21.135   3.474  10.258
  940    HH   TYR 122           HH       TYR 122 -23.049   6.476  10.712
  941    H    GLY 123           H        GLY 123 -14.333   7.307  10.103
  942    HA2  GLY 123           HA2      GLY 123 -15.164   9.844  10.524
  943    HA3  GLY 123           HA3      GLY 123 -13.578   9.472   9.817
  944    H    LYS 124           H        LYS 124 -14.245   8.662   7.282
  945    HA   LYS 124           HA       LYS 124 -15.777  10.886   6.004
  946    HB2  LYS 124           HB2      LYS 124 -12.833  10.166   5.634
  947    HB3  LYS 124           HB3      LYS 124 -13.736  10.985   4.363
  948    HG2  LYS 124           HG2      LYS 124 -13.284  12.079   7.154
  949    HG3  LYS 124           HG3      LYS 124 -12.445  12.557   5.677
  950    HD2  LYS 124           HD2      LYS 124 -14.598  13.350   4.702
  951    HD3  LYS 124           HD3      LYS 124 -15.400  13.003   6.253
  952    HE2  LYS 124           HE2      LYS 124 -13.831  14.532   7.423
  953    HE3  LYS 124           HE3      LYS 124 -13.031  14.890   5.884
  954    HZ1  LYS 124           HZ1      LYS 124 -14.666  16.586   6.458
  955    HZ2  LYS 124           HZ2      LYS 124 -15.130  15.831   5.083
  956    HZ3  LYS 124           HZ3      LYS 124 -15.877  15.489   6.501
  957    H    SER 125           H        SER 125 -16.314   7.993   6.371
  958    HA   SER 125           HA       SER 125 -16.421   7.063   3.518
  959    HB2  SER 125           HB2      SER 125 -16.585   5.348   6.012
  960    HB3  SER 125           HB3      SER 125 -16.537   4.811   4.322
  961    HG   SER 125           HG       SER 125 -14.526   5.833   5.967
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  18.445  -8.094  15.712
    2    H2   MET   1           H2       MET   1  19.635  -7.096  16.234
    3    H3   MET   1           H3       MET   1  18.337  -6.477  15.466
    4    HA   MET   1           HA       MET   1  20.239  -6.477  14.020
    5    HB2  MET   1           HB2      MET   1  21.395  -8.382  15.075
    6    HB3  MET   1           HB3      MET   1  20.235  -9.505  14.365
    7    HG2  MET   1           HG2      MET   1  20.957  -8.782  12.091
    8    HG3  MET   1           HG3      MET   1  22.077  -7.627  12.824
    9    HE1  MET   1           HE1      MET   1  22.897  -9.725  10.585
   10    HE2  MET   1           HE2      MET   1  24.030  -8.563  11.317
   11    HE3  MET   1           HE3      MET   1  24.462 -10.286  11.215
   12    H    ALA   2           H        ALA   2  18.347  -9.491  13.335
   13    HA   ALA   2           HA       ALA   2  17.479  -8.417  10.779
   14    HB1  ALA   2           HB1      ALA   2  16.714 -10.969  12.271
   15    HB2  ALA   2           HB2      ALA   2  16.419 -10.625  10.559
   16    HB3  ALA   2           HB3      ALA   2  18.082 -10.799  11.146
   17    H    SER   3           H        SER   3  15.187  -8.508  10.089
   18    HA   SER   3           HA       SER   3  13.052  -8.038  12.010
   19    HB2  SER   3           HB2      SER   3  12.614  -5.696  11.266
   20    HB3  SER   3           HB3      SER   3  14.119  -5.872  12.165
   21    HG   SER   3           HG       SER   3  14.377  -4.571  10.302
   22    HA   PRO   4           HA       PRO   4  10.720  -9.321   8.448
   23    HB2  PRO   4           HB2      PRO   4   8.190  -8.433   8.941
   24    HB3  PRO   4           HB3      PRO   4   8.981  -9.695   9.934
   25    HG2  PRO   4           HG2      PRO   4   8.806  -6.720  10.512
   26    HG3  PRO   4           HG3      PRO   4   8.407  -8.083  11.608
   27    HD2  PRO   4           HD2      PRO   4  10.820  -6.837  11.692
   28    HD3  PRO   4           HD3      PRO   4  10.684  -8.603  11.943
   29    H    HIS   5           H        HIS   5   9.804  -8.646   6.455
   30    HA   HIS   5           HA       HIS   5  10.610  -5.966   5.593
   31    HB2  HIS   5           HB2      HIS   5  10.096  -6.814   3.364
   32    HB3  HIS   5           HB3      HIS   5  11.113  -7.935   4.248
   33    HD1  HIS   5           HD1      HIS   5  10.245 -10.411   4.265
   34    HD2  HIS   5           HD2      HIS   5   7.339  -7.537   3.265
   35    HE1  HIS   5           HE1      HIS   5   8.151 -11.708   3.613
   36    H    GLN   6           H        GLN   6   7.823  -6.928   7.093
   37    HA   GLN   6           HA       GLN   6   6.105  -4.922   5.684
   38    HB2  GLN   6           HB2      GLN   6   5.420  -7.226   5.140
   39    HB3  GLN   6           HB3      GLN   6   5.313  -7.629   6.860
   40    HG2  GLN   6           HG2      GLN   6   3.449  -6.069   7.159
   41    HG3  GLN   6           HG3      GLN   6   3.650  -5.454   5.512
   42   HE21  GLN   6          HE22      GLN   6   2.909  -8.576   7.276
   43   HE22  GLN   6          HE21      GLN   6   1.781  -9.094   6.030
   44    H    GLU   7           H        GLU   7   5.046  -3.470   6.967
   45    HA   GLU   7           HA       GLU   7   4.754  -3.908   9.864
   46    HB2  GLU   7           HB2      GLU   7   7.003  -2.773   9.437
   47    HB3  GLU   7           HB3      GLU   7   6.095  -1.398   8.780
   48    HG2  GLU   7           HG2      GLU   7   4.934  -1.159  10.974
   49    HG3  GLU   7           HG3      GLU   7   5.881  -2.507  11.610
   50    HA   PRO   8           HA       PRO   8   1.071  -1.536   8.567
   51    HB2  PRO   8           HB2      PRO   8  -0.350  -1.540  10.878
   52    HB3  PRO   8           HB3      PRO   8  -0.144  -3.026   9.898
   53    HG2  PRO   8           HG2      PRO   8   1.441  -2.186  12.339
   54    HG3  PRO   8           HG3      PRO   8   0.693  -3.775  11.999
   55    HD2  PRO   8           HD2      PRO   8   3.343  -3.215  11.509
   56    HD3  PRO   8           HD3      PRO   8   2.404  -4.356  10.499
   57    H    LYS   9           H        LYS   9   0.476   0.623   8.728
   58    HA   LYS   9           HA       LYS   9   2.117   2.345  10.535
   59    HB2  LYS   9           HB2      LYS   9   0.829   2.995   7.863
   60    HB3  LYS   9           HB3      LYS   9   1.762   4.119   8.850
   61    HG2  LYS   9           HG2      LYS   9   2.777   1.648   7.394
   62    HG3  LYS   9           HG3      LYS   9   3.146   3.337   7.074
   63    HD2  LYS   9           HD2      LYS   9   4.233   3.419   9.398
   64    HD3  LYS   9           HD3      LYS   9   4.093   1.642   9.424
   65    HE2  LYS   9           HE2      LYS   9   5.409   1.445   7.381
   66    HE3  LYS   9           HE3      LYS   9   5.474   3.207   7.204
   67    HZ1  LYS   9           HZ1      LYS   9   6.740   3.311   9.277
   68    HZ2  LYS   9           HZ2      LYS   9   6.694   1.678   9.452
   69    HZ3  LYS   9           HZ3      LYS   9   7.504   2.351   8.198
   70    HA   PRO  10           HA       PRO  10  -1.289   3.266  12.935
   71    HB2  PRO  10           HB2      PRO  10  -0.973   5.802  13.831
   72    HB3  PRO  10           HB3      PRO  10   0.123   4.445  14.272
   73    HG2  PRO  10           HG2      PRO  10   0.511   6.492  12.065
   74    HG3  PRO  10           HG3      PRO  10   1.667   6.026  13.362
   75    HD2  PRO  10           HD2      PRO  10   1.838   4.920  10.907
   76    HD3  PRO  10           HD3      PRO  10   2.063   3.902  12.364
   77    H    GLY  11           H        GLY  11  -3.303   3.529  12.689
   78    HA2  GLY  11           HA2      GLY  11  -5.342   4.566  12.080
   79    HA3  GLY  11           HA3      GLY  11  -4.503   5.518  10.832
   80    H    ASP  12           H        ASP  12  -3.205   2.682  10.106
   81    HA   ASP  12           HA       ASP  12  -5.211   2.312   7.995
   82    HB2  ASP  12           HB2      ASP  12  -2.374   1.292   8.242
   83    HB3  ASP  12           HB3      ASP  12  -3.448   1.019   6.865
   84    H    LEU  13           H        LEU  13  -5.591   0.202   7.037
   85    HA   LEU  13           HA       LEU  13  -6.799  -1.500   9.130
   86    HB2  LEU  13           HB2      LEU  13  -7.345  -1.254   6.139
   87    HB3  LEU  13           HB3      LEU  13  -8.290  -2.220   7.270
   88    HG   LEU  13           HG       LEU  13  -7.937   0.788   7.452
   89   HD11  LEU  13          HD11      LEU  13 -10.275   0.911   6.612
   90   HD12  LEU  13          HD12      LEU  13  -9.164   0.215   5.413
   91   HD13  LEU  13          HD13      LEU  13 -10.262  -0.845   6.334
   92   HD21  LEU  13          HD21      LEU  13  -9.860   0.623   9.051
   93   HD22  LEU  13          HD22      LEU  13  -9.858  -1.144   8.841
   94   HD23  LEU  13          HD23      LEU  13  -8.491  -0.365   9.617
   95    H    ILE  14           H        ILE  14  -5.828  -3.206   9.691
   96    HA   ILE  14           HA       ILE  14  -4.071  -4.732   7.822
   97    HB   ILE  14           HB       ILE  14  -4.535  -5.515  10.693
   98   HG12  ILE  14          HG12      ILE  14  -2.541  -3.354   9.934
   99   HG13  ILE  14          HG13      ILE  14  -3.992  -3.125  10.917
  100   HG21  ILE  14          HG21      ILE  14  -2.079  -5.649   8.889
  101   HG22  ILE  14          HG22      ILE  14  -2.324  -6.519  10.422
  102   HG23  ILE  14          HG23      ILE  14  -3.291  -6.938   9.013
  103   HD11  ILE  14          HD11      ILE  14  -2.150  -3.298  12.421
  104   HD12  ILE  14          HD12      ILE  14  -3.123  -4.764  12.587
  105   HD13  ILE  14          HD13      ILE  14  -1.582  -4.798  11.684
  106    H    GLU  15           H        GLU  15  -4.882  -6.469   6.798
  107    HA   GLU  15           HA       GLU  15  -7.363  -7.828   7.779
  108    HB2  GLU  15           HB2      GLU  15  -7.319  -7.136   5.379
  109    HB3  GLU  15           HB3      GLU  15  -5.857  -8.097   5.136
  110    HG2  GLU  15           HG2      GLU  15  -7.128 -10.154   5.808
  111    HG3  GLU  15           HG3      GLU  15  -8.569  -9.160   6.039
  112    H    ILE  16           H        ILE  16  -6.936  -9.515   9.107
  113    HA   ILE  16           HA       ILE  16  -4.235 -10.839   9.012
  114    HB   ILE  16           HB       ILE  16  -6.038 -10.294  11.416
  115   HG12  ILE  16          HG12      ILE  16  -3.448  -8.902  10.597
  116   HG13  ILE  16          HG13      ILE  16  -5.058  -8.190  10.511
  117   HG21  ILE  16          HG21      ILE  16  -4.662 -12.320  11.675
  118   HG22  ILE  16          HG22      ILE  16  -3.196 -11.417  11.232
  119   HG23  ILE  16          HG23      ILE  16  -4.070 -11.075  12.738
  120   HD11  ILE  16          HD11      ILE  16  -3.561  -8.913  13.041
  121   HD12  ILE  16          HD12      ILE  16  -3.982  -7.318  12.439
  122   HD13  ILE  16          HD13      ILE  16  -5.272  -8.414  12.986
  123    H    PHE  17           H        PHE  17  -4.231 -12.967   8.632
  124    HA   PHE  17           HA       PHE  17  -6.604 -14.472   8.086
  125    HB2  PHE  17           HB2      PHE  17  -4.428 -14.885   7.024
  126    HB3  PHE  17           HB3      PHE  17  -3.709 -15.288   8.573
  127    HD1  PHE  17           HD1      PHE  17  -6.130 -16.428   5.976
  128    HD2  PHE  17           HD2      PHE  17  -3.972 -17.494   9.561
  129    HE1  PHE  17           HE1      PHE  17  -6.815 -18.797   5.689
  130    HE2  PHE  17           HE2      PHE  17  -4.656 -19.857   9.268
  131    HZ   PHE  17           HZ       PHE  17  -6.081 -20.514   7.336
  132    H    ARG  18           H        ARG  18  -4.720 -14.064  10.981
  133    HA   ARG  18           HA       ARG  18  -4.714 -14.925  13.052
  134    HB2  ARG  18           HB2      ARG  18  -6.768 -13.586  12.996
  135    HB3  ARG  18           HB3      ARG  18  -7.723 -15.032  12.701
  136    HG2  ARG  18           HG2      ARG  18  -7.759 -14.287  15.058
  137    HG3  ARG  18           HG3      ARG  18  -7.116 -15.917  14.913
  138    HD2  ARG  18           HD2      ARG  18  -4.818 -15.074  15.171
  139    HD3  ARG  18           HD3      ARG  18  -5.417 -13.400  15.215
  140    HE   ARG  18           HE       ARG  18  -6.784 -14.738  17.245
  141   HH11  ARG  18          HH21      ARG  18  -3.394 -13.964  16.582
  142   HH12  ARG  18          HH22      ARG  18  -2.972 -13.927  18.265
  143   HH21  ARG  18          HH11      ARG  18  -6.142 -14.767  19.415
  144   HH22  ARG  18          HH12      ARG  18  -4.490 -14.433  19.837
  145    H    LEU  19           H        LEU  19  -7.384 -17.082  12.888
  146    HA   LEU  19           HA       LEU  19  -5.466 -19.379  13.021
  147    HB2  LEU  19           HB2      LEU  19  -7.469 -18.327  15.036
  148    HB3  LEU  19           HB3      LEU  19  -6.803 -19.961  15.157
  149    HG   LEU  19           HG       LEU  19  -5.163 -17.396  15.257
  150   HD11  LEU  19          HD11      LEU  19  -4.976 -17.853  17.663
  151   HD12  LEU  19          HD12      LEU  19  -6.667 -17.624  17.191
  152   HD13  LEU  19          HD13      LEU  19  -6.046 -19.260  17.494
  153   HD21  LEU  19          HD21      LEU  19  -4.383 -20.303  15.776
  154   HD22  LEU  19          HD22      LEU  19  -3.797 -19.278  14.450
  155   HD23  LEU  19          HD23      LEU  19  -3.361 -18.884  16.116
  156    H    GLY  20           H        GLY  20  -6.925 -18.939  10.777
  157    HA2  GLY  20           HA2      GLY  20  -7.898 -20.599   9.390
  158    HA3  GLY  20           HA3      GLY  20  -8.822 -21.247  10.765
  159    H    TYR  21           H        TYR  21  -9.011 -17.846  10.683
  160    HA   TYR  21           HA       TYR  21 -11.011 -17.550   8.607
  161    HB2  TYR  21           HB2      TYR  21 -12.435 -18.505  10.383
  162    HB3  TYR  21           HB3      TYR  21 -11.866 -17.273  11.508
  163    HD1  TYR  21           HD2      TYR  21 -13.714 -17.757   8.280
  164    HD2  TYR  21           HD1      TYR  21 -12.898 -15.133  11.605
  165    HE1  TYR  21           HE2      TYR  21 -15.437 -16.164   7.448
  166    HE2  TYR  21           HE1      TYR  21 -14.620 -13.540  10.782
  167    HH   TYR  21           HH       TYR  21 -16.094 -13.054   9.097
  168    H    GLU  22           H        GLU  22 -10.506 -15.710   7.706
  169    HA   GLU  22           HA       GLU  22  -8.708 -13.863   8.881
  170    HB2  GLU  22           HB2      GLU  22 -10.358 -13.291   6.397
  171    HB3  GLU  22           HB3      GLU  22  -8.763 -12.688   6.833
  172    HG2  GLU  22           HG2      GLU  22  -8.125 -14.250   5.302
  173    HG3  GLU  22           HG3      GLU  22  -8.128 -15.301   6.715
  174    H    HIS  23           H        HIS  23  -8.924 -11.743   9.621
  175    HA   HIS  23           HA       HIS  23 -11.485 -10.348   9.478
  176    HB2  HIS  23           HB2      HIS  23 -11.983 -10.195  11.770
  177    HB3  HIS  23           HB3      HIS  23 -11.765 -11.896  11.432
  178    HD1  HIS  23           HD1      HIS  23 -11.311 -10.052  14.238
  179    HD2  HIS  23           HD2      HIS  23  -8.616 -12.269  11.886
  180    HE1  HIS  23           HE1      HIS  23  -9.402 -10.735  15.778
  181    H    TRP  24           H        TRP  24 -11.406  -8.160  10.551
  182    HA   TRP  24           HA       TRP  24  -8.920  -6.872   9.664
  183    HB2  TRP  24           HB2      TRP  24 -11.623  -5.781  10.507
  184    HB3  TRP  24           HB3      TRP  24 -10.260  -4.805   9.994
  185    HD1  TRP  24           HD1      TRP  24 -13.257  -6.384   8.678
  186    HE1  TRP  24           HE1      TRP  24 -13.380  -6.176   6.156
  187    HE3  TRP  24           HE3      TRP  24  -8.449  -4.893   7.795
  188    HZ2  TRP  24           HZ2      TRP  24 -11.607  -5.394   3.977
  189    HZ3  TRP  24           HZ3      TRP  24  -7.708  -4.347   5.494
  190    HH2  TRP  24           HH2      TRP  24  -9.274  -4.614   3.574
  191    H    ALA  25           H        ALA  25  -7.717  -5.417  10.763
  192    HA   ALA  25           HA       ALA  25  -8.423  -4.631  13.530
  193    HB1  ALA  25           HB1      ALA  25  -5.647  -5.565  12.673
  194    HB2  ALA  25           HB2      ALA  25  -6.115  -4.977  14.277
  195    HB3  ALA  25           HB3      ALA  25  -6.777  -6.509  13.667
  196    H    LEU  26           H        LEU  26  -7.665  -2.600  14.141
  197    HA   LEU  26           HA       LEU  26  -6.609  -0.771  12.009
  198    HB2  LEU  26           HB2      LEU  26  -8.967  -0.473  13.049
  199    HB3  LEU  26           HB3      LEU  26  -8.159  -0.096  14.548
  200    HG   LEU  26           HG       LEU  26  -8.833   1.931  13.618
  201   HD11  LEU  26          HD11      LEU  26  -5.918   1.874  12.790
  202   HD12  LEU  26          HD12      LEU  26  -6.887   3.265  13.301
  203   HD13  LEU  26          HD13      LEU  26  -6.483   2.005  14.478
  204   HD21  LEU  26          HD21      LEU  26  -8.419   2.698  11.352
  205   HD22  LEU  26          HD22      LEU  26  -7.527   1.212  10.982
  206   HD23  LEU  26          HD23      LEU  26  -9.274   1.144  11.340
  207    H    TYR  27           H        TYR  27  -4.449  -0.351  12.344
  208    HA   TYR  27           HA       TYR  27  -3.145  -0.846  14.913
  209    HB2  TYR  27           HB2      TYR  27  -2.170  -1.131  12.588
  210    HB3  TYR  27           HB3      TYR  27  -2.103   0.601  12.454
  211    HD1  TYR  27           HD1      TYR  27  -1.036  -2.086  14.923
  212    HD2  TYR  27           HD2      TYR  27  -0.013   1.513  12.832
  213    HE1  TYR  27           HE1      TYR  27   1.296  -2.241  15.770
  214    HE2  TYR  27           HE2      TYR  27   2.324   1.356  13.626
  215    HH   TYR  27           HH       TYR  27   3.852   0.041  14.717
  216    H    ILE  28           H        ILE  28  -3.701   0.470  16.590
  217    HA   ILE  28           HA       ILE  28  -4.387   3.312  16.094
  218    HB   ILE  28           HB       ILE  28  -4.925   3.347  18.554
  219   HG12  ILE  28          HG12      ILE  28  -4.771   0.316  18.450
  220   HG13  ILE  28          HG13      ILE  28  -3.444   1.303  19.079
  221   HG21  ILE  28          HG21      ILE  28  -7.067   2.322  18.223
  222   HG22  ILE  28          HG22      ILE  28  -6.570   3.058  16.705
  223   HG23  ILE  28          HG23      ILE  28  -6.443   1.295  16.902
  224   HD11  ILE  28          HD11      ILE  28  -4.896   0.476  20.870
  225   HD12  ILE  28          HD12      ILE  28  -4.889   2.255  20.802
  226   HD13  ILE  28          HD13      ILE  28  -6.283   1.343  20.184
  227    H    GLY  29           H        GLY  29  -1.501   1.673  17.131
  228    HA2  GLY  29           HA2      GLY  29  -0.020   4.091  17.012
  229    HA3  GLY  29           HA3      GLY  29  -0.284   3.691  18.708
  230    H    ASP  30           H        ASP  30   2.193   3.581  18.385
  231    HA   ASP  30           HA       ASP  30   3.343   1.562  16.807
  232    HB2  ASP  30           HB2      ASP  30   4.443   3.031  19.231
  233    HB3  ASP  30           HB3      ASP  30   5.401   1.963  18.208
  234    H    GLY  31           H        GLY  31   2.502  -0.417  17.055
  235    HA2  GLY  31           HA2      GLY  31   2.759  -2.606  17.754
  236    HA3  GLY  31           HA3      GLY  31   3.288  -2.067  19.373
  237    H    TYR  32           H        TYR  32   0.382  -0.506  18.446
  238    HA   TYR  32           HA       TYR  32  -1.217  -2.533  19.986
  239    HB2  TYR  32           HB2      TYR  32  -1.242   0.487  20.177
  240    HB3  TYR  32           HB3      TYR  32  -2.531  -0.533  20.803
  241    HD1  TYR  32           HD1      TYR  32  -2.143  -2.148  22.639
  242    HD2  TYR  32           HD2      TYR  32   0.926   0.585  21.326
  243    HE1  TYR  32           HE1      TYR  32  -0.861  -2.591  24.727
  244    HE2  TYR  32           HE2      TYR  32   2.216   0.140  23.408
  245    HH   TYR  32           HH       TYR  32   1.044  -2.116  25.938
  246    H    VAL  33           H        VAL  33  -3.275  -3.010  19.416
  247    HA   VAL  33           HA       VAL  33  -4.332  -1.837  16.886
  248    HB   VAL  33           HB       VAL  33  -5.036  -4.083  16.140
  249   HG11  VAL  33          HG11      VAL  33  -3.050  -3.103  15.162
  250   HG12  VAL  33          HG12      VAL  33  -2.030  -3.804  16.443
  251   HG13  VAL  33          HG13      VAL  33  -2.873  -4.857  15.289
  252   HG21  VAL  33          HG21      VAL  33  -4.971  -5.361  18.274
  253   HG22  VAL  33          HG22      VAL  33  -4.026  -6.124  16.994
  254   HG23  VAL  33          HG23      VAL  33  -3.195  -5.234  18.274
  255    H    ILE  34           H        ILE  34  -6.491  -1.954  16.541
  256    HA   ILE  34           HA       ILE  34  -8.294  -2.893  18.775
  257    HB   ILE  34           HB       ILE  34  -8.626  -0.712  16.672
  258   HG12  ILE  34          HG12      ILE  34  -7.371  -0.092  18.725
  259   HG13  ILE  34          HG13      ILE  34  -8.842   0.844  18.455
  260   HG21  ILE  34          HG21      ILE  34 -10.748  -1.846  16.719
  261   HG22  ILE  34          HG22      ILE  34 -10.760  -1.900  18.494
  262   HG23  ILE  34          HG23      ILE  34 -10.925  -0.355  17.627
  263   HD11  ILE  34          HD11      ILE  34 -10.008  -0.455  20.171
  264   HD12  ILE  34          HD12      ILE  34  -8.554  -1.435  20.443
  265   HD13  ILE  34          HD13      ILE  34  -8.542   0.299  20.826
  266    H    HIS  35           H        HIS  35  -9.697  -4.573  18.155
  267    HA   HIS  35           HA       HIS  35 -10.108  -5.043  15.283
  268    HB2  HIS  35           HB2      HIS  35  -9.193  -7.219  15.162
  269    HB3  HIS  35           HB3      HIS  35  -7.938  -6.151  15.763
  270    HD1  HIS  35           HD1      HIS  35  -7.583  -9.190  16.134
  271    HD2  HIS  35           HD2      HIS  35  -9.417  -6.664  18.943
  272    HE1  HIS  35           HE1      HIS  35  -7.447 -10.389  18.374
  273    H    LEU  36           H        LEU  36 -11.781  -6.510  14.755
  274    HA   LEU  36           HA       LEU  36 -13.787  -6.835  16.919
  275    HB2  LEU  36           HB2      LEU  36 -14.409  -5.824  14.706
  276    HB3  LEU  36           HB3      LEU  36 -13.917  -7.322  13.910
  277    HG   LEU  36           HG       LEU  36 -15.688  -8.494  15.417
  278   HD11  LEU  36          HD11      LEU  36 -17.532  -7.000  16.200
  279   HD12  LEU  36          HD12      LEU  36 -16.020  -6.627  17.025
  280   HD13  LEU  36          HD13      LEU  36 -16.578  -5.590  15.705
  281   HD21  LEU  36          HD21      LEU  36 -15.996  -8.116  13.005
  282   HD22  LEU  36          HD22      LEU  36 -17.508  -7.912  13.891
  283   HD23  LEU  36          HD23      LEU  36 -16.618  -6.476  13.333
  284    H    ALA  37           H        ALA  37 -13.584  -8.668  18.088
  285    HA   ALA  37           HA       ALA  37 -12.402 -11.139  17.035
  286    HB1  ALA  37           HB1      ALA  37 -13.869 -10.489  19.625
  287    HB2  ALA  37           HB2      ALA  37 -13.058 -12.027  19.258
  288    HB3  ALA  37           HB3      ALA  37 -12.107 -10.531  19.375
  289    HA   PRO  38           HA       PRO  38 -16.514 -11.922  15.307
  290    HB2  PRO  38           HB2      PRO  38 -15.921 -13.871  13.504
  291    HB3  PRO  38           HB3      PRO  38 -15.355 -12.182  13.301
  292    HG2  PRO  38           HG2      PRO  38 -13.826 -14.550  14.422
  293    HG3  PRO  38           HG3      PRO  38 -13.281 -13.354  13.210
  294    HD2  PRO  38           HD2      PRO  38 -12.689 -13.182  15.899
  295    HD3  PRO  38           HD3      PRO  38 -12.855 -11.765  14.826
  296    HA   PRO  39           HA       PRO  39 -17.877 -15.707  17.422
  297    HB2  PRO  39           HB2      PRO  39 -20.365 -16.059  16.418
  298    HB3  PRO  39           HB3      PRO  39 -19.940 -14.620  17.383
  299    HG2  PRO  39           HG2      PRO  39 -19.980 -14.843  14.354
  300    HG3  PRO  39           HG3      PRO  39 -20.790 -13.612  15.378
  301    HD2  PRO  39           HD2      PRO  39 -18.336 -13.185  14.243
  302    HD3  PRO  39           HD3      PRO  39 -18.761 -12.533  15.850
  303    H    SER  40           H        SER  40 -15.905 -16.299  15.747
  304    HA   SER  40           HA       SER  40 -16.684 -18.078  13.527
  305    HB2  SER  40           HB2      SER  40 -14.214 -18.153  13.188
  306    HB3  SER  40           HB3      SER  40 -14.839 -16.498  13.254
  307    HG   SER  40           HG       SER  40 -13.909 -17.787  15.599
  308    H    GLU  41           H        GLU  41 -16.519 -20.328  13.514
  309    HA   GLU  41           HA       GLU  41 -16.356 -21.696  16.044
  310    HB2  GLU  41           HB2      GLU  41 -16.591 -22.686  13.185
  311    HB3  GLU  41           HB3      GLU  41 -16.601 -23.742  14.598
  312    HG2  GLU  41           HG2      GLU  41 -18.555 -22.515  15.524
  313    HG3  GLU  41           HG3      GLU  41 -18.598 -21.501  14.074
  314    H    TYR  42           H        TYR  42 -14.293 -22.280  13.107
  315    HA   TYR  42           HA       TYR  42 -12.658 -24.050  14.468
  316    HB2  TYR  42           HB2      TYR  42 -12.944 -23.835  12.012
  317    HB3  TYR  42           HB3      TYR  42 -11.849 -22.466  12.017
  318    HD1  TYR  42           HD2      TYR  42  -9.428 -22.785  12.469
  319    HD2  TYR  42           HD1      TYR  42 -12.156 -26.121  12.338
  320    HE1  TYR  42           HE2      TYR  42  -7.500 -24.345  12.297
  321    HE2  TYR  42           HE1      TYR  42 -10.231 -27.683  12.137
  322    HH   TYR  42           HH       TYR  42  -6.835 -26.544  12.126
  323    HA   PRO  43           HA       PRO  43  -9.379 -20.560  15.422
  324    HB2  PRO  43           HB2      PRO  43 -11.414 -18.393  15.967
  325    HB3  PRO  43           HB3      PRO  43  -9.720 -18.217  15.433
  326    HG2  PRO  43           HG2      PRO  43 -11.688 -17.975  13.634
  327    HG3  PRO  43           HG3      PRO  43 -10.285 -18.995  13.213
  328    HD2  PRO  43           HD2      PRO  43 -12.977 -19.898  14.304
  329    HD3  PRO  43           HD3      PRO  43 -12.064 -20.551  12.917
  330    H    GLY  44           H        GLY  44 -12.586 -20.912  16.967
  331    HA2  GLY  44           HA2      GLY  44 -11.465 -20.597  19.706
  332    HA3  GLY  44           HA3      GLY  44 -13.162 -20.876  19.246
  333    H    ALA  45           H        ALA  45 -12.902 -23.071  17.588
  334    HA   ALA  45           HA       ALA  45 -12.446 -25.228  19.545
  335    HB1  ALA  45           HB1      ALA  45 -14.016 -26.419  18.168
  336    HB2  ALA  45           HB2      ALA  45 -14.640 -24.789  18.398
  337    HB3  ALA  45           HB3      ALA  45 -13.871 -25.204  16.859
  338    H    GLY  46           H        GLY  46 -12.396 -26.944  16.819
  339    HA2  GLY  46           HA2      GLY  46  -9.733 -26.542  15.745
  340    HA3  GLY  46           HA3      GLY  46  -9.747 -27.828  16.933
  341    H    SER  47           H        SER  47  -9.099 -29.265  15.229
  342    HA   SER  47           HA       SER  47 -10.922 -29.835  12.996
  343    HB2  SER  47           HB2      SER  47  -9.219 -31.586  12.490
  344    HB3  SER  47           HB3      SER  47  -8.567 -29.945  12.603
  345    HG   SER  47           HG       SER  47  -7.267 -31.491  13.714
  346    H    SER  48           H        SER  48 -10.217 -31.337  16.159
  347    HA   SER  48           HA       SER  48 -11.679 -33.772  15.643
  348    HB2  SER  48           HB2      SER  48 -10.972 -32.468  18.302
  349    HB3  SER  48           HB3      SER  48 -11.459 -34.152  18.050
  350    HG   SER  48           HG       SER  48  -9.170 -33.916  18.187
  351    H    SER  49           H        SER  49 -12.772 -30.602  16.555
  352    HA   SER  49           HA       SER  49 -15.558 -31.241  16.380
  353    HB2  SER  49           HB2      SER  49 -15.184 -32.125  18.672
  354    HB3  SER  49           HB3      SER  49 -14.512 -30.563  19.160
  355    HG   SER  49           HG       SER  49 -16.756 -30.834  19.681
  356    H    VAL  50           H        VAL  50 -16.805 -29.302  16.246
  357    HA   VAL  50           HA       VAL  50 -15.209 -26.763  16.086
  358    HB   VAL  50           HB       VAL  50 -16.733 -26.041  14.266
  359   HG11  VAL  50          HG11      VAL  50 -14.493 -26.911  13.824
  360   HG12  VAL  50          HG12      VAL  50 -15.143 -28.564  13.694
  361   HG13  VAL  50          HG13      VAL  50 -15.623 -27.320  12.522
  362   HG21  VAL  50          HG21      VAL  50 -18.643 -27.578  14.745
  363   HG22  VAL  50          HG22      VAL  50 -18.097 -27.635  13.060
  364   HG23  VAL  50          HG23      VAL  50 -17.660 -28.945  14.169
  365    H    PHE  51           H        PHE  51 -17.527 -28.048  18.058
  366    HA   PHE  51           HA       PHE  51 -19.398 -25.885  17.885
  367    HB2  PHE  51           HB2      PHE  51 -19.095 -28.044  20.010
  368    HB3  PHE  51           HB3      PHE  51 -20.501 -27.003  19.802
  369    HD1  PHE  51           HD1      PHE  51 -21.511 -26.983  17.292
  370    HD2  PHE  51           HD2      PHE  51 -19.232 -30.199  19.038
  371    HE1  PHE  51           HE1      PHE  51 -22.474 -28.569  15.641
  372    HE2  PHE  51           HE2      PHE  51 -20.194 -31.780  17.384
  373    HZ   PHE  51           HZ       PHE  51 -21.816 -30.965  15.680
  374    H    SER  52           H        SER  52 -16.512 -26.270  19.822
  375    HA   SER  52           HA       SER  52 -17.175 -24.266  21.815
  376    HB2  SER  52           HB2      SER  52 -14.448 -25.316  21.033
  377    HB3  SER  52           HB3      SER  52 -14.901 -24.447  22.513
  378    HG   SER  52           HG       SER  52 -14.809 -26.738  22.835
  379    H    VAL  53           H        VAL  53 -17.891 -23.019  19.691
  380    HA   VAL  53           HA       VAL  53 -16.368 -21.418  18.089
  381    HB   VAL  53           HB       VAL  53 -18.832 -21.632  18.177
  382   HG11  VAL  53          HG11      VAL  53 -19.107 -21.301  20.637
  383   HG12  VAL  53          HG12      VAL  53 -18.794 -19.568  20.410
  384   HG13  VAL  53          HG13      VAL  53 -20.213 -20.322  19.656
  385   HG21  VAL  53          HG21      VAL  53 -17.867 -18.753  18.075
  386   HG22  VAL  53          HG22      VAL  53 -17.895 -19.929  16.748
  387   HG23  VAL  53          HG23      VAL  53 -19.414 -19.362  17.451
  388    H    LEU  54           H        LEU  54 -15.385 -19.394  18.098
  389    HA   LEU  54           HA       LEU  54 -13.878 -18.681  20.356
  390    HB2  LEU  54           HB2      LEU  54 -13.344 -18.209  17.964
  391    HB3  LEU  54           HB3      LEU  54 -14.631 -17.001  17.924
  392    HG   LEU  54           HG       LEU  54 -13.399 -15.636  19.603
  393   HD11  LEU  54          HD11      LEU  54 -11.021 -16.197  20.113
  394   HD12  LEU  54          HD12      LEU  54 -12.135 -17.380  20.802
  395   HD13  LEU  54          HD13      LEU  54 -11.232 -17.771  19.319
  396   HD21  LEU  54          HD21      LEU  54 -11.609 -14.882  18.108
  397   HD22  LEU  54          HD22      LEU  54 -11.683 -16.408  17.206
  398   HD23  LEU  54          HD23      LEU  54 -13.051 -15.280  17.164
  399    H    SER  55           H        SER  55 -17.027 -17.380  19.362
  400    HA   SER  55           HA       SER  55 -17.648 -16.513  22.036
  401    HB2  SER  55           HB2      SER  55 -18.022 -14.121  21.548
  402    HB3  SER  55           HB3      SER  55 -16.315 -14.555  21.469
  403    HG   SER  55           HG       SER  55 -17.877 -13.444  19.580
  404    H    ASN  56           H        ASN  56 -19.914 -15.680  22.208
  405    HA   ASN  56           HA       ASN  56 -21.730 -17.021  20.381
  406    HB2  ASN  56           HB2      ASN  56 -23.486 -15.926  21.672
  407    HB3  ASN  56           HB3      ASN  56 -22.365 -16.832  22.689
  408   HD21  ASN  56          HD22      ASN  56 -24.124 -14.967  23.802
  409   HD22  ASN  56          HD21      ASN  56 -23.193 -13.591  24.376
  410    H    SER  57           H        SER  57 -20.792 -13.638  20.896
  411    HA   SER  57           HA       SER  57 -21.988 -12.890  18.262
  412    HB2  SER  57           HB2      SER  57 -21.966 -11.276  20.848
  413    HB3  SER  57           HB3      SER  57 -22.487 -10.655  19.273
  414    HG   SER  57           HG       SER  57 -24.243 -11.442  20.598
  415    H    ALA  58           H        ALA  58 -20.917 -10.612  17.527
  416    HA   ALA  58           HA       ALA  58 -18.006 -10.982  17.686
  417    HB1  ALA  58           HB1      ALA  58 -19.577  -8.784  16.276
  418    HB2  ALA  58           HB2      ALA  58 -17.905  -9.306  15.973
  419    HB3  ALA  58           HB3      ALA  58 -19.256 -10.365  15.543
  420    H    GLU  59           H        GLU  59 -16.555  -9.510  18.685
  421    HA   GLU  59           HA       GLU  59 -17.729  -7.279  20.293
  422    HB2  GLU  59           HB2      GLU  59 -17.384  -9.325  21.732
  423    HB3  GLU  59           HB3      GLU  59 -15.648  -9.210  21.399
  424    HG2  GLU  59           HG2      GLU  59 -15.624  -6.925  22.380
  425    HG3  GLU  59           HG3      GLU  59 -17.354  -7.046  22.717
  426    H    VAL  60           H        VAL  60 -16.597  -5.408  20.116
  427    HA   VAL  60           HA       VAL  60 -14.033  -5.348  18.644
  428    HB   VAL  60           HB       VAL  60 -15.593  -3.094  19.928
  429   HG11  VAL  60          HG11      VAL  60 -13.209  -2.472  19.683
  430   HG12  VAL  60          HG12      VAL  60 -13.198  -3.076  18.011
  431   HG13  VAL  60          HG13      VAL  60 -14.145  -1.639  18.441
  432   HG21  VAL  60          HG21      VAL  60 -16.223  -2.514  17.590
  433   HG22  VAL  60          HG22      VAL  60 -15.415  -3.989  17.024
  434   HG23  VAL  60          HG23      VAL  60 -16.849  -4.096  18.065
  435    H    LYS  61           H        LYS  61 -12.106  -5.457  19.569
  436    HA   LYS  61           HA       LYS  61 -11.751  -4.945  22.507
  437    HB2  LYS  61           HB2      LYS  61 -10.692  -7.301  20.879
  438    HB3  LYS  61           HB3      LYS  61 -10.450  -7.031  22.606
  439    HG2  LYS  61           HG2      LYS  61 -12.935  -7.260  22.945
  440    HG3  LYS  61           HG3      LYS  61 -13.111  -7.576  21.219
  441    HD2  LYS  61           HD2      LYS  61 -13.117  -9.727  22.110
  442    HD3  LYS  61           HD3      LYS  61 -11.472  -9.515  21.508
  443    HE2  LYS  61           HE2      LYS  61 -11.093 -10.464  23.589
  444    HE3  LYS  61           HE3      LYS  61 -10.907  -8.738  23.941
  445    HZ1  LYS  61           HZ1      LYS  61 -13.237 -10.464  24.555
  446    HZ2  LYS  61           HZ2      LYS  61 -12.293  -9.664  25.619
  447    HZ3  LYS  61           HZ3      LYS  61 -13.346  -8.842  24.650
  448    H    ARG  62           H        ARG  62  -9.554  -4.605  23.212
  449    HA   ARG  62           HA       ARG  62  -7.726  -3.404  21.164
  450    HB2  ARG  62           HB2      ARG  62  -8.701  -1.855  22.883
  451    HB3  ARG  62           HB3      ARG  62  -7.929  -2.811  24.150
  452    HG2  ARG  62           HG2      ARG  62  -5.691  -2.285  23.161
  453    HG3  ARG  62           HG3      ARG  62  -6.483  -1.326  21.901
  454    HD2  ARG  62           HD2      ARG  62  -7.432   0.172  23.630
  455    HD3  ARG  62           HD3      ARG  62  -6.660  -0.769  24.902
  456    HE   ARG  62           HE       ARG  62  -5.453   1.224  23.168
  457   HH11  ARG  62          HH21      ARG  62  -4.627  -1.548  25.218
  458   HH12  ARG  62          HH22      ARG  62  -2.974  -1.041  25.385
  459   HH21  ARG  62          HH11      ARG  62  -3.298   1.807  23.426
  460   HH22  ARG  62          HH12      ARG  62  -2.233   0.817  24.368
  461    H    GLU  63           H        GLU  63  -5.689  -4.201  20.971
  462    HA   GLU  63           HA       GLU  63  -4.465  -6.007  22.974
  463    HB2  GLU  63           HB2      GLU  63  -5.069  -6.849  20.103
  464    HB3  GLU  63           HB3      GLU  63  -4.083  -7.765  21.227
  465    HG2  GLU  63           HG2      GLU  63  -7.058  -7.260  21.447
  466    HG3  GLU  63           HG3      GLU  63  -6.260  -8.734  20.918
  467    H    ARG  64           H        ARG  64  -2.241  -6.731  22.186
  468    HA   ARG  64           HA       ARG  64  -0.867  -4.586  20.702
  469    HB2  ARG  64           HB2      ARG  64   0.097  -7.045  22.207
  470    HB3  ARG  64           HB3      ARG  64   1.132  -6.116  21.115
  471    HG2  ARG  64           HG2      ARG  64   0.489  -4.017  22.422
  472    HG3  ARG  64           HG3      ARG  64  -0.287  -5.080  23.604
  473    HD2  ARG  64           HD2      ARG  64   2.026  -4.415  24.293
  474    HD3  ARG  64           HD3      ARG  64   1.880  -6.158  24.067
  475    HE   ARG  64           HE       ARG  64   3.133  -6.089  22.094
  476   HH11  ARG  64          HH21      ARG  64   3.045  -2.793  23.415
  477   HH12  ARG  64          HH22      ARG  64   4.082  -2.191  22.154
  478   HH21  ARG  64          HH11      ARG  64   4.190  -5.254  20.461
  479   HH22  ARG  64          HH12      ARG  64   4.866  -3.636  20.530
  480    H    LEU  65           H        LEU  65   0.320  -4.882  18.832
  481    HA   LEU  65           HA       LEU  65  -0.923  -6.267  16.724
  482    HB2  LEU  65           HB2      LEU  65   0.533  -4.316  16.415
  483    HB3  LEU  65           HB3      LEU  65   1.929  -5.215  17.008
  484    HG   LEU  65           HG       LEU  65   1.727  -6.766  15.025
  485   HD11  LEU  65          HD11      LEU  65  -0.365  -4.753  14.097
  486   HD12  LEU  65          HD12      LEU  65   0.346  -6.048  13.096
  487   HD13  LEU  65          HD13      LEU  65  -0.664  -6.461  14.485
  488   HD21  LEU  65          HD21      LEU  65   3.284  -4.855  15.032
  489   HD22  LEU  65          HD22      LEU  65   2.679  -5.240  13.409
  490   HD23  LEU  65          HD23      LEU  65   2.032  -3.841  14.285
  491    H    GLU  66           H        GLU  66   2.272  -7.207  18.192
  492    HA   GLU  66           HA       GLU  66   2.385  -9.589  16.640
  493    HB2  GLU  66           HB2      GLU  66   4.371 -10.092  17.756
  494    HB3  GLU  66           HB3      GLU  66   4.339  -8.356  17.558
  495    HG2  GLU  66           HG2      GLU  66   3.740  -9.894  20.125
  496    HG3  GLU  66           HG3      GLU  66   5.250  -9.078  19.735
  497    H    ASP  67           H        ASP  67   0.699  -9.080  19.693
  498    HA   ASP  67           HA       ASP  67   0.437 -11.915  20.291
  499    HB2  ASP  67           HB2      ASP  67   0.077 -10.091  21.958
  500    HB3  ASP  67           HB3      ASP  67  -1.356  -9.574  21.064
  501    H    VAL  68           H        VAL  68  -1.408  -9.561  18.363
  502    HA   VAL  68           HA       VAL  68  -3.451 -11.477  17.624
  503    HB   VAL  68           HB       VAL  68  -2.917  -8.723  16.483
  504   HG11  VAL  68          HG11      VAL  68  -4.212 -10.120  14.881
  505   HG12  VAL  68          HG12      VAL  68  -5.345 -10.554  16.165
  506   HG13  VAL  68          HG13      VAL  68  -5.232  -8.870  15.603
  507   HG21  VAL  68          HG21      VAL  68  -4.924  -8.120  17.870
  508   HG22  VAL  68          HG22      VAL  68  -4.919  -9.758  18.553
  509   HG23  VAL  68          HG23      VAL  68  -3.565  -8.655  18.865
  510    H    VAL  69           H        VAL  69  -0.578 -10.085  15.831
  511    HA   VAL  69           HA       VAL  69  -1.117 -11.879  13.595
  512    HB   VAL  69           HB       VAL  69   0.732 -10.850  12.527
  513   HG11  VAL  69          HG11      VAL  69  -1.066  -8.765  13.771
  514   HG12  VAL  69          HG12      VAL  69  -0.147  -8.587  12.260
  515   HG13  VAL  69          HG13      VAL  69  -1.445  -9.787  12.359
  516   HG21  VAL  69          HG21      VAL  69   2.267 -10.444  14.428
  517   HG22  VAL  69          HG22      VAL  69   2.101  -9.095  13.293
  518   HG23  VAL  69          HG23      VAL  69   1.265  -9.038  14.836
  519    H    GLY  70           H        GLY  70   0.427 -12.513  16.518
  520    HA2  GLY  70           HA2      GLY  70   2.856 -13.708  15.793
  521    HA3  GLY  70           HA3      GLY  70   1.916 -14.097  17.237
  522    H    GLY  71           H        GLY  71   3.159 -15.267  14.351
  523    HA2  GLY  71           HA2      GLY  71   3.156 -17.409  13.440
  524    HA3  GLY  71           HA3      GLY  71   1.852 -17.893  14.554
  525    H    CYS  72           H        CYS  72   1.022 -15.029  12.935
  526    HA   CYS  72           HA       CYS  72  -0.842 -16.513  11.123
  527    HB2  CYS  72           HB2      CYS  72  -1.099 -13.748  12.402
  528    HB3  CYS  72           HB3      CYS  72  -2.350 -14.598  11.496
  529    HG   CYS  72           HG       CYS  72  -2.583 -16.638  13.135
  530    H    CYS  73           H        CYS  73  -1.334 -15.675   9.077
  531    HA   CYS  73           HA       CYS  73   0.627 -13.877   7.787
  532    HB2  CYS  73           HB2      CYS  73  -1.848 -15.324   6.708
  533    HB3  CYS  73           HB3      CYS  73  -0.697 -14.388   5.736
  534    HG   CYS  73           HG       CYS  73  -0.249 -16.971   5.395
  535    H    TYR  74           H        TYR  74   0.085 -11.860   6.847
  536    HA   TYR  74           HA       TYR  74  -2.538 -10.700   7.148
  537    HB2  TYR  74           HB2      TYR  74  -2.036  -8.918   8.682
  538    HB3  TYR  74           HB3      TYR  74  -1.763 -10.449   9.471
  539    HD1  TYR  74           HD2      TYR  74   0.639 -11.272   9.801
  540    HD2  TYR  74           HD1      TYR  74  -0.323  -7.263   8.538
  541    HE1  TYR  74           HE2      TYR  74   2.881 -10.506  10.544
  542    HE2  TYR  74           HE1      TYR  74   1.911  -6.486   9.292
  543    HH   TYR  74           HH       TYR  74   3.941  -7.093  10.235
  544    H    ARG  75           H        ARG  75  -2.758  -8.536   6.347
  545    HA   ARG  75           HA       ARG  75  -0.578  -7.324   4.734
  546    HB2  ARG  75           HB2      ARG  75  -3.292  -8.202   3.627
  547    HB3  ARG  75           HB3      ARG  75  -2.197  -7.122   2.777
  548    HG2  ARG  75           HG2      ARG  75  -1.573 -10.018   3.504
  549    HG3  ARG  75           HG3      ARG  75  -2.146  -9.462   1.946
  550    HD2  ARG  75           HD2      ARG  75   0.460  -8.518   3.200
  551    HD3  ARG  75           HD3      ARG  75   0.326  -9.861   2.071
  552    HE   ARG  75           HE       ARG  75  -0.747  -8.197   0.476
  553   HH11  ARG  75          HH11      ARG  75   1.788  -7.104   2.736
  554   HH12  ARG  75          HH12      ARG  75   2.336  -5.885   1.623
  555   HH21  ARG  75          HH21      ARG  75  -0.013  -6.567  -0.839
  556   HH22  ARG  75          HH22      ARG  75   1.321  -5.575  -0.352
  557    H    VAL  76           H        VAL  76  -1.232  -5.070   4.033
  558    HA   VAL  76           HA       VAL  76  -3.492  -3.951   5.645
  559    HB   VAL  76           HB       VAL  76  -0.951  -2.519   4.849
  560   HG11  VAL  76          HG11      VAL  76  -2.819  -0.897   4.750
  561   HG12  VAL  76          HG12      VAL  76  -3.382  -1.396   6.351
  562   HG13  VAL  76          HG13      VAL  76  -1.815  -0.594   6.162
  563   HG21  VAL  76          HG21      VAL  76  -0.623  -2.332   7.310
  564   HG22  VAL  76          HG22      VAL  76  -2.087  -3.292   7.575
  565   HG23  VAL  76          HG23      VAL  76  -0.667  -4.024   6.789
  566    H    ASN  77           H        ASN  77  -4.966  -2.622   4.648
  567    HA   ASN  77           HA       ASN  77  -4.729  -2.240   1.690
  568    HB2  ASN  77           HB2      ASN  77  -6.022  -4.325   2.378
  569    HB3  ASN  77           HB3      ASN  77  -7.210  -3.263   3.128
  570   HD21  ASN  77          HD22      ASN  77  -6.046  -4.606   0.109
  571   HD22  ASN  77          HD21      ASN  77  -7.212  -3.796  -0.919
  572    H    ASN  78           H        ASN  78  -5.633  -0.424   0.832
  573    HA   ASN  78           HA       ASN  78  -7.316   1.411   2.494
  574    HB2  ASN  78           HB2      ASN  78  -4.818   2.117   0.878
  575    HB3  ASN  78           HB3      ASN  78  -5.938   3.304   1.538
  576   HD21  ASN  78          HD22      ASN  78  -6.053   3.648   3.837
  577   HD22  ASN  78          HD21      ASN  78  -4.689   3.171   4.841
  578    H    SER  79           H        SER  79  -7.925  -0.516   0.186
  579    HA   SER  79           HA       SER  79  -8.014   0.902  -2.267
  580    HB2  SER  79           HB2      SER  79  -8.053  -1.568  -1.995
  581    HB3  SER  79           HB3      SER  79  -9.723  -1.461  -1.405
  582    HG   SER  79           HG       SER  79  -9.598  -1.930  -3.658
  583    H    LEU  80           H        LEU  80 -10.693   0.378   0.050
  584    HA   LEU  80           HA       LEU  80 -12.540   1.939  -1.540
  585    HB2  LEU  80           HB2      LEU  80 -13.031   0.054   0.216
  586    HB3  LEU  80           HB3      LEU  80 -12.843   1.334   1.415
  587    HG   LEU  80           HG       LEU  80 -14.614   2.630   0.083
  588   HD11  LEU  80          HD11      LEU  80 -14.576   1.326  -2.025
  589   HD12  LEU  80          HD12      LEU  80 -15.082  -0.131  -1.136
  590   HD13  LEU  80          HD13      LEU  80 -16.175   1.257  -1.284
  591   HD21  LEU  80          HD21      LEU  80 -15.376   0.014   1.448
  592   HD22  LEU  80          HD22      LEU  80 -15.111   1.590   2.234
  593   HD23  LEU  80          HD23      LEU  80 -16.486   1.365   1.141
  594    H    ASP  81           H        ASP  81 -10.403   2.742   1.188
  595    HA   ASP  81           HA       ASP  81 -11.344   5.369   1.713
  596    HB2  ASP  81           HB2      ASP  81  -8.515   4.212   1.861
  597    HB3  ASP  81           HB3      ASP  81  -9.004   5.758   2.550
  598    H    HIS  82           H        HIS  82  -9.099   4.209  -0.773
  599    HA   HIS  82           HA       HIS  82  -8.377   6.765  -1.845
  600    HB2  HIS  82           HB2      HIS  82  -7.328   4.408  -2.140
  601    HB3  HIS  82           HB3      HIS  82  -8.540   4.150  -3.391
  602    HD1  HIS  82           HD1      HIS  82  -8.283   6.997  -4.872
  603    HD2  HIS  82           HD2      HIS  82  -5.134   4.570  -3.498
  604    HE1  HIS  82           HE1      HIS  82  -6.233   7.623  -6.265
  605    H    GLU  83           H        GLU  83 -11.422   5.065  -2.052
  606    HA   GLU  83           HA       GLU  83 -12.293   6.419  -4.513
  607    HB2  GLU  83           HB2      GLU  83 -13.940   4.845  -2.484
  608    HB3  GLU  83           HB3      GLU  83 -14.494   5.442  -4.027
  609    HG2  GLU  83           HG2      GLU  83 -12.282   3.371  -3.693
  610    HG3  GLU  83           HG3      GLU  83 -13.967   3.027  -4.058
  611    H    TYR  84           H        TYR  84 -12.229   7.119  -1.088
  612    HA   TYR  84           HA       TYR  84 -14.326   9.239  -1.421
  613    HB2  TYR  84           HB2      TYR  84 -13.448   7.850   1.122
  614    HB3  TYR  84           HB3      TYR  84 -14.803   8.952   0.915
  615    HD1  TYR  84           HD1      TYR  84 -15.997   7.720  -1.660
  616    HD2  TYR  84           HD2      TYR  84 -14.527   5.998   2.014
  617    HE1  TYR  84           HE1      TYR  84 -17.412   5.718  -2.034
  618    HE2  TYR  84           HE2      TYR  84 -15.975   4.026   1.678
  619    HH   TYR  84           HH       TYR  84 -17.381   2.938   0.219
  620    H    GLN  85           H        GLN  85 -11.252   8.714   0.460
  621    HA   GLN  85           HA       GLN  85 -11.702  11.508   1.375
  622    HB2  GLN  85           HB2      GLN  85 -11.710  10.734   3.599
  623    HB3  GLN  85           HB3      GLN  85 -12.906   9.883   2.624
  624    HG2  GLN  85           HG2      GLN  85 -11.435   7.876   2.559
  625    HG3  GLN  85           HG3      GLN  85 -10.240   8.730   3.544
  626   HE21  GLN  85          HE22      GLN  85 -11.061   6.401   4.728
  627   HE22  GLN  85          HE21      GLN  85 -12.264   6.822   5.966
  628    HA   PRO  86           HA       PRO  86  -7.274  12.170   1.791
  629    HB2  PRO  86           HB2      PRO  86  -7.260  14.276   3.526
  630    HB3  PRO  86           HB3      PRO  86  -7.813  14.436   1.827
  631    HG2  PRO  86           HG2      PRO  86  -9.505  14.032   4.316
  632    HG3  PRO  86           HG3      PRO  86  -9.730  15.241   3.006
  633    HD2  PRO  86           HD2      PRO  86 -11.098  12.891   3.049
  634    HD3  PRO  86           HD3      PRO  86 -10.532  13.606   1.511
  635    H    ARG  87           H        ARG  87  -9.351  11.225   4.390
  636    HA   ARG  87           HA       ARG  87  -9.086   9.845   6.091
  637    HB2  ARG  87           HB2      ARG  87  -7.364   8.960   4.412
  638    HB3  ARG  87           HB3      ARG  87  -6.121   9.613   5.466
  639    HG2  ARG  87           HG2      ARG  87  -6.378   7.298   5.964
  640    HG3  ARG  87           HG3      ARG  87  -7.037   8.205   7.341
  641    HD2  ARG  87           HD2      ARG  87  -9.307   7.717   6.688
  642    HD3  ARG  87           HD3      ARG  87  -8.799   7.262   5.071
  643    HE   ARG  87           HE       ARG  87  -8.946   5.178   5.814
  644   HH11  ARG  87          HH21      ARG  87  -7.305   6.810   8.535
  645   HH12  ARG  87          HH22      ARG  87  -6.955   5.266   9.287
  646   HH21  ARG  87          HH11      ARG  87  -8.411   3.312   6.874
  647   HH22  ARG  87          HH12      ARG  87  -7.559   3.391   8.406
  648    HA   PRO  88           HA       PRO  88  -7.544  12.936   9.172
  649    HB2  PRO  88           HB2      PRO  88  -9.724  13.074  10.756
  650    HB3  PRO  88           HB3      PRO  88  -9.655  13.917   9.179
  651    HG2  PRO  88           HG2      PRO  88 -10.924  11.218   9.777
  652    HG3  PRO  88           HG3      PRO  88 -11.649  12.613   8.924
  653    HD2  PRO  88           HD2      PRO  88 -10.466  10.531   7.606
  654    HD3  PRO  88           HD3      PRO  88 -10.373  12.208   6.981
  655    H    VAL  89           H        VAL  89  -6.047  11.180   9.501
  656    HA   VAL  89           HA       VAL  89  -6.687   8.683  10.584
  657    HB   VAL  89           HB       VAL  89  -4.130  10.274  10.432
  658   HG11  VAL  89          HG11      VAL  89  -2.857   8.199  11.032
  659   HG12  VAL  89          HG12      VAL  89  -3.679   8.962  12.393
  660   HG13  VAL  89          HG13      VAL  89  -4.379   7.507  11.654
  661   HG21  VAL  89          HG21      VAL  89  -5.118   7.706   9.086
  662   HG22  VAL  89          HG22      VAL  89  -5.135   9.318   8.364
  663   HG23  VAL  89          HG23      VAL  89  -3.593   8.547   8.733
  664    H    GLU  90           H        GLU  90  -5.913  11.639  12.433
  665    HA   GLU  90           HA       GLU  90  -5.787  10.275  14.976
  666    HB2  GLU  90           HB2      GLU  90  -5.881  12.455  15.987
  667    HB3  GLU  90           HB3      GLU  90  -4.754  12.438  14.634
  668    HG2  GLU  90           HG2      GLU  90  -6.503  13.577  13.222
  669    HG3  GLU  90           HG3      GLU  90  -7.545  13.661  14.648
  670    H    VAL  91           H        VAL  91  -8.495  11.716  13.179
  671    HA   VAL  91           HA       VAL  91 -10.458  11.389  15.312
  672    HB   VAL  91           HB       VAL  91 -10.796  11.666  12.307
  673   HG11  VAL  91          HG11      VAL  91 -13.160  12.309  12.792
  674   HG12  VAL  91          HG12      VAL  91 -12.832  10.621  13.170
  675   HG13  VAL  91          HG13      VAL  91 -12.925  11.819  14.484
  676   HG21  VAL  91          HG21      VAL  91 -11.455  13.999  12.840
  677   HG22  VAL  91          HG22      VAL  91 -11.085  13.706  14.553
  678   HG23  VAL  91          HG23      VAL  91  -9.796  13.663  13.328
  679    H    ILE  92           H        ILE  92  -9.415   9.410  12.523
  680    HA   ILE  92           HA       ILE  92 -11.325   7.268  12.980
  681    HB   ILE  92           HB       ILE  92  -8.819   7.586  11.294
  682   HG12  ILE  92          HG12      ILE  92 -11.783   7.350  10.570
  683   HG13  ILE  92          HG13      ILE  92 -10.991   8.882  10.841
  684   HG21  ILE  92          HG21      ILE  92  -9.559   5.440  10.143
  685   HG22  ILE  92          HG22      ILE  92  -8.857   5.229  11.748
  686   HG23  ILE  92          HG23      ILE  92 -10.612   5.136  11.531
  687   HD11  ILE  92          HD11      ILE  92 -11.162   8.480   8.478
  688   HD12  ILE  92          HD12      ILE  92  -9.452   8.485   8.966
  689   HD13  ILE  92          HD13      ILE  92 -10.292   6.943   8.620
  690    H    ILE  93           H        ILE  93  -7.927   7.653  14.062
  691    HA   ILE  93           HA       ILE  93  -7.867   5.169  15.584
  692    HB   ILE  93           HB       ILE  93  -6.326   7.791  15.726
  693   HG12  ILE  93          HG12      ILE  93  -5.457   4.966  14.911
  694   HG13  ILE  93          HG13      ILE  93  -6.001   6.180  13.773
  695   HG21  ILE  93          HG21      ILE  93  -5.853   5.306  17.430
  696   HG22  ILE  93          HG22      ILE  93  -4.737   6.680  17.299
  697   HG23  ILE  93          HG23      ILE  93  -6.312   6.920  18.015
  698   HD11  ILE  93          HD11      ILE  93  -3.596   6.148  13.757
  699   HD12  ILE  93          HD12      ILE  93  -4.141   7.682  14.472
  700   HD13  ILE  93          HD13      ILE  93  -3.501   6.369  15.496
  701    H    SER  94           H        SER  94  -8.998   8.460  16.418
  702    HA   SER  94           HA       SER  94  -9.551   7.868  19.169
  703    HB2  SER  94           HB2      SER  94 -10.928   9.898  17.361
  704    HB3  SER  94           HB3      SER  94 -11.009   9.844  19.124
  705    HG   SER  94           HG       SER  94  -8.756  10.387  17.471
  706    H    SER  95           H        SER  95 -11.693   7.714  16.268
  707    HA   SER  95           HA       SER  95 -13.990   6.611  17.479
  708    HB2  SER  95           HB2      SER  95 -12.771   6.250  14.722
  709    HB3  SER  95           HB3      SER  95 -14.374   5.629  15.176
  710    HG   SER  95           HG       SER  95 -14.539   7.686  14.206
  711    H    ALA  96           H        ALA  96 -11.097   4.848  16.171
  712    HA   ALA  96           HA       ALA  96 -12.079   2.234  16.740
  713    HB1  ALA  96           HB1      ALA  96  -9.756   1.565  16.396
  714    HB2  ALA  96           HB2      ALA  96 -10.159   2.856  15.253
  715    HB3  ALA  96           HB3      ALA  96  -9.192   3.227  16.693
  716    H    LYS  97           H        LYS  97 -10.151   4.427  18.859
  717    HA   LYS  97           HA       LYS  97 -10.160   2.594  21.106
  718    HB2  LYS  97           HB2      LYS  97  -9.847   5.618  20.937
  719    HB3  LYS  97           HB3      LYS  97  -9.658   4.676  22.427
  720    HG2  LYS  97           HG2      LYS  97  -7.880   3.304  21.329
  721    HG3  LYS  97           HG3      LYS  97  -7.973   4.333  19.899
  722    HD2  LYS  97           HD2      LYS  97  -7.195   5.228  22.706
  723    HD3  LYS  97           HD3      LYS  97  -6.091   4.940  21.354
  724    HE2  LYS  97           HE2      LYS  97  -7.236   6.747  20.053
  725    HE3  LYS  97           HE3      LYS  97  -8.280   7.065  21.449
  726    HZ1  LYS  97           HZ1      LYS  97  -5.320   7.357  21.450
  727    HZ2  LYS  97           HZ2      LYS  97  -6.391   8.587  21.405
  728    HZ3  LYS  97           HZ3      LYS  97  -6.296   7.642  22.735
  729    H    GLU  98           H        GLU  98 -12.446   5.253  20.243
  730    HA   GLU  98           HA       GLU  98 -14.138   4.945  22.506
  731    HB2  GLU  98           HB2      GLU  98 -14.621   6.005  19.706
  732    HB3  GLU  98           HB3      GLU  98 -15.900   5.957  20.920
  733    HG2  GLU  98           HG2      GLU  98 -14.538   7.301  22.479
  734    HG3  GLU  98           HG3      GLU  98 -13.246   7.411  21.283
  735    H    MET  99           H        MET  99 -14.099   3.119  19.474
  736    HA   MET  99           HA       MET  99 -16.577   1.701  19.934
  737    HB2  MET  99           HB2      MET  99 -14.206   1.234  18.095
  738    HB3  MET  99           HB3      MET  99 -15.592   0.150  18.131
  739    HG2  MET  99           HG2      MET  99 -15.891   3.131  17.677
  740    HG3  MET  99           HG3      MET  99 -15.629   1.997  16.369
  741    HE1  MET  99           HE1      MET  99 -17.408  -0.544  16.940
  742    HE2  MET  99           HE2      MET  99 -18.897  -0.027  16.128
  743    HE3  MET  99           HE3      MET  99 -17.320   0.360  15.406
  744    H    VAL 100           H        VAL 100 -13.636   1.303  21.595
  745    HA   VAL 100           HA       VAL 100 -13.518  -1.524  21.933
  746    HB   VAL 100           HB       VAL 100 -12.747   0.687  23.874
  747   HG11  VAL 100          HG11      VAL 100 -13.120  -1.317  25.247
  748   HG12  VAL 100          HG12      VAL 100 -12.195  -2.313  24.093
  749   HG13  VAL 100          HG13      VAL 100 -11.389  -1.056  25.055
  750   HG21  VAL 100          HG21      VAL 100 -11.433   0.495  21.736
  751   HG22  VAL 100          HG22      VAL 100 -10.457   0.128  23.163
  752   HG23  VAL 100          HG23      VAL 100 -11.072  -1.192  22.142
  753    H    GLY 101           H        GLY 101 -14.716  -2.940  22.884
  754    HA2  GLY 101           HA2      GLY 101 -16.100  -3.919  24.499
  755    HA3  GLY 101           HA3      GLY 101 -16.553  -2.309  25.115
  756    H    GLN 102           H        GLN 102 -16.978  -2.135  21.787
  757    HA   GLN 102           HA       GLN 102 -19.865  -2.414  21.970
  758    HB2  GLN 102           HB2      GLN 102 -17.960  -1.966  19.631
  759    HB3  GLN 102           HB3      GLN 102 -19.701  -2.093  19.436
  760    HG2  GLN 102           HG2      GLN 102 -18.361  -0.016  21.234
  761    HG3  GLN 102           HG3      GLN 102 -18.835   0.266  19.561
  762   HE21  GLN 102          HE22      GLN 102 -21.215   0.051  19.011
  763   HE22  GLN 102          HE21      GLN 102 -22.367   0.404  20.292
  764    H    LYS 103           H        LYS 103 -21.094  -4.059  21.532
  765    HA   LYS 103           HA       LYS 103 -19.976  -6.574  20.371
  766    HB2  LYS 103           HB2      LYS 103 -22.257  -6.126  22.342
  767    HB3  LYS 103           HB3      LYS 103 -21.916  -7.679  21.560
  768    HG2  LYS 103           HG2      LYS 103 -19.694  -7.768  22.578
  769    HG3  LYS 103           HG3      LYS 103 -19.933  -6.175  23.326
  770    HD2  LYS 103           HD2      LYS 103 -21.861  -7.052  24.608
  771    HD3  LYS 103           HD3      LYS 103 -21.621  -8.658  23.879
  772    HE2  LYS 103           HE2      LYS 103 -19.348  -8.768  24.854
  773    HE3  LYS 103           HE3      LYS 103 -19.547  -7.155  25.550
  774    HZ1  LYS 103           HZ1      LYS 103 -21.188  -9.524  26.263
  775    HZ2  LYS 103           HZ2      LYS 103 -19.997  -8.890  27.180
  776    HZ3  LYS 103           HZ3      LYS 103 -21.362  -8.030  26.915
  777    H    MET 104           H        MET 104 -21.007  -7.531  18.654
  778    HA   MET 104           HA       MET 104 -23.417  -6.242  17.438
  779    HB2  MET 104           HB2      MET 104 -20.674  -6.459  16.120
  780    HB3  MET 104           HB3      MET 104 -22.169  -6.071  15.257
  781    HG2  MET 104           HG2      MET 104 -22.504  -4.088  16.709
  782    HG3  MET 104           HG3      MET 104 -20.987  -4.420  17.526
  783    HE1  MET 104           HE1      MET 104 -18.720  -4.253  16.633
  784    HE2  MET 104           HE2      MET 104 -18.916  -5.165  15.113
  785    HE3  MET 104           HE3      MET 104 -18.233  -3.525  15.095
  786    H    LYS 105           H        LYS 105 -24.505  -7.476  15.892
  787    HA   LYS 105           HA       LYS 105 -23.661 -10.301  15.451
  788    HB2  LYS 105           HB2      LYS 105 -24.893  -9.948  17.666
  789    HB3  LYS 105           HB3      LYS 105 -26.306  -9.471  16.744
  790    HG2  LYS 105           HG2      LYS 105 -26.391 -11.777  17.598
  791    HG3  LYS 105           HG3      LYS 105 -26.529 -11.734  15.842
  792    HD2  LYS 105           HD2      LYS 105 -24.267 -12.550  15.553
  793    HD3  LYS 105           HD3      LYS 105 -23.866 -12.190  17.233
  794    HE2  LYS 105           HE2      LYS 105 -24.081 -14.563  17.021
  795    HE3  LYS 105           HE3      LYS 105 -25.410 -13.961  18.014
  796    HZ1  LYS 105           HZ1      LYS 105 -25.629 -14.671  15.128
  797    HZ2  LYS 105           HZ2      LYS 105 -26.165 -15.585  16.371
  798    HZ3  LYS 105           HZ3      LYS 105 -26.867 -14.146  16.067
  799    H    TYR 106           H        TYR 106 -25.118  -7.566  14.099
  800    HA   TYR 106           HA       TYR 106 -27.111  -8.659  12.399
  801    HB2  TYR 106           HB2      TYR 106 -26.859  -6.538  11.153
  802    HB3  TYR 106           HB3      TYR 106 -26.978  -6.302  12.886
  803    HD1  TYR 106           HD1      TYR 106 -24.600  -6.301  10.000
  804    HD2  TYR 106           HD2      TYR 106 -25.232  -5.186  14.112
  805    HE1  TYR 106           HE1      TYR 106 -22.441  -5.099   9.992
  806    HE2  TYR 106           HE2      TYR 106 -23.094  -3.936  14.100
  807    HH   TYR 106           HH       TYR 106 -21.175  -3.444  12.917
  808    H    SER 107           H        SER 107 -27.164  -9.094  10.174
  809    HA   SER 107           HA       SER 107 -26.520  -9.818   8.115
  810    HB2  SER 107           HB2      SER 107 -25.469  -7.510   8.288
  811    HB3  SER 107           HB3      SER 107 -23.906  -8.312   8.536
  812    HG   SER 107           HG       SER 107 -24.811  -7.728   6.257
  813    H    ILE 108           H        ILE 108 -24.102 -10.462   6.953
  814    HA   ILE 108           HA       ILE 108 -23.414 -13.107   8.128
  815    HB   ILE 108           HB       ILE 108 -22.368 -11.768   5.590
  816   HG12  ILE 108          HG12      ILE 108 -24.750 -12.001   5.263
  817   HG13  ILE 108          HG13      ILE 108 -23.905 -13.187   4.303
  818   HG21  ILE 108          HG21      ILE 108 -22.251 -14.663   6.547
  819   HG22  ILE 108          HG22      ILE 108 -21.809 -14.116   4.917
  820   HG23  ILE 108          HG23      ILE 108 -20.887 -13.548   6.307
  821   HD11  ILE 108          HD11      ILE 108 -25.355 -13.760   6.928
  822   HD12  ILE 108          HD12      ILE 108 -25.927 -14.144   5.296
  823   HD13  ILE 108          HD13      ILE 108 -24.494 -14.968   5.937
  824    H    VAL 109           H        VAL 109 -21.300 -13.562   8.934
  825    HA   VAL 109           HA       VAL 109 -20.215 -11.512  10.501
  826    HB   VAL 109           HB       VAL 109 -18.832 -14.106   9.732
  827   HG11  VAL 109          HG11      VAL 109 -17.651 -13.862  11.917
  828   HG12  VAL 109          HG12      VAL 109 -17.194 -12.589  10.792
  829   HG13  VAL 109          HG13      VAL 109 -18.344 -12.234  12.097
  830   HG21  VAL 109          HG21      VAL 109 -19.761 -14.947  11.880
  831   HG22  VAL 109          HG22      VAL 109 -20.640 -13.420  12.096
  832   HG23  VAL 109          HG23      VAL 109 -21.040 -14.516  10.754
  833    H    SER 110           H        SER 110 -19.171 -12.453   7.239
  834    HA   SER 110           HA       SER 110 -16.729 -10.949   7.086
  835    HB2  SER 110           HB2      SER 110 -17.208 -11.039   4.622
  836    HB3  SER 110           HB3      SER 110 -17.221 -12.606   5.437
  837    HG   SER 110           HG       SER 110 -19.013 -12.330   4.002
  838    H    ARG 111           H        ARG 111 -20.098 -10.036   6.091
  839    HA   ARG 111           HA       ARG 111 -19.366  -7.283   5.671
  840    HB2  ARG 111           HB2      ARG 111 -21.361  -8.272   4.605
  841    HB3  ARG 111           HB3      ARG 111 -22.123  -8.429   6.189
  842    HG2  ARG 111           HG2      ARG 111 -23.012  -6.455   5.117
  843    HG3  ARG 111           HG3      ARG 111 -21.996  -5.896   6.444
  844    HD2  ARG 111           HD2      ARG 111 -20.168  -5.404   4.846
  845    HD3  ARG 111           HD3      ARG 111 -21.214  -5.927   3.506
  846    HE   ARG 111           HE       ARG 111 -22.700  -4.040   4.923
  847   HH11  ARG 111          HH11      ARG 111 -19.658  -3.958   3.087
  848   HH12  ARG 111          HH12      ARG 111 -19.831  -2.258   2.745
  849   HH21  ARG 111          HH21      ARG 111 -22.847  -1.867   4.437
  850   HH22  ARG 111          HH22      ARG 111 -21.610  -1.095   3.494
  851    H    ASN 112           H        ASN 112 -20.534  -9.026   8.564
  852    HA   ASN 112           HA       ASN 112 -20.996  -6.788  10.204
  853    HB2  ASN 112           HB2      ASN 112 -21.388  -9.245  10.747
  854    HB3  ASN 112           HB3      ASN 112 -19.683  -9.349  11.193
  855   HD21  ASN 112          HD21      ASN 112 -22.846  -8.196  12.147
  856   HD22  ASN 112          HD22      ASN 112 -22.337  -7.537  13.701
  857    H    CYS 113           H        CYS 113 -17.890  -8.413   9.501
  858    HA   CYS 113           HA       CYS 113 -16.243  -6.568  11.019
  859    HB2  CYS 113           HB2      CYS 113 -15.902  -9.099  10.265
  860    HB3  CYS 113           HB3      CYS 113 -15.225  -8.380   8.799
  861    HG   CYS 113           HG       CYS 113 -14.398  -7.974  12.010
  862    H    GLU 114           H        GLU 114 -16.925  -6.844   7.473
  863    HA   GLU 114           HA       GLU 114 -15.349  -4.622   6.658
  864    HB2  GLU 114           HB2      GLU 114 -16.350  -6.365   5.194
  865    HB3  GLU 114           HB3      GLU 114 -17.941  -5.651   5.464
  866    HG2  GLU 114           HG2      GLU 114 -17.163  -3.542   4.399
  867    HG3  GLU 114           HG3      GLU 114 -15.564  -4.265   4.154
  868    H    HIS 115           H        HIS 115 -18.807  -4.683   7.676
  869    HA   HIS 115           HA       HIS 115 -19.295  -1.907   7.315
  870    HB2  HIS 115           HB2      HIS 115 -20.980  -3.747   7.556
  871    HB3  HIS 115           HB3      HIS 115 -20.622  -3.792   9.284
  872    HD1  HIS 115           HD1      HIS 115 -22.972  -2.843  10.117
  873    HD2  HIS 115           HD2      HIS 115 -21.124  -0.561   7.098
  874    HE1  HIS 115           HE1      HIS 115 -24.372  -0.740   9.850
  875    H    PHE 116           H        PHE 116 -18.200  -3.795  10.186
  876    HA   PHE 116           HA       PHE 116 -17.792  -1.744  12.051
  877    HB2  PHE 116           HB2      PHE 116 -17.575  -3.832  12.931
  878    HB3  PHE 116           HB3      PHE 116 -16.724  -4.480  11.570
  879    HD1  PHE 116           HD2      PHE 116 -16.217  -2.277  14.548
  880    HD2  PHE 116           HD1      PHE 116 -14.327  -4.704  11.508
  881    HE1  PHE 116           HE2      PHE 116 -14.041  -2.079  15.722
  882    HE2  PHE 116           HE1      PHE 116 -12.172  -4.500  12.689
  883    HZ   PHE 116           HZ       PHE 116 -12.017  -3.197  14.805
  884    H    VAL 117           H        VAL 117 -15.249  -2.942   9.684
  885    HA   VAL 117           HA       VAL 117 -13.533  -0.767  10.494
  886    HB   VAL 117           HB       VAL 117 -12.253  -1.023   8.382
  887   HG11  VAL 117          HG11      VAL 117 -12.619  -3.510  10.064
  888   HG12  VAL 117          HG12      VAL 117 -11.195  -3.042   9.097
  889   HG13  VAL 117          HG13      VAL 117 -11.651  -2.075  10.508
  890   HG21  VAL 117          HG21      VAL 117 -13.981  -3.451   7.879
  891   HG22  VAL 117          HG22      VAL 117 -14.002  -1.960   6.904
  892   HG23  VAL 117          HG23      VAL 117 -12.544  -2.955   6.973
  893    H    THR 118           H        THR 118 -16.191  -0.754   8.192
  894    HA   THR 118           HA       THR 118 -15.537   1.851   7.048
  895    HB   THR 118           HB       THR 118 -18.354   0.869   7.366
  896    HG1  THR 118           HG1      THR 118 -17.061  -0.839   6.380
  897   HG21  THR 118          HG21      THR 118 -18.654   2.047   5.232
  898   HG22  THR 118          HG22      THR 118 -18.031   3.135   6.481
  899   HG23  THR 118          HG23      THR 118 -16.940   2.508   5.227
  900    H    GLN 119           H        GLN 119 -17.638   0.873   9.855
  901    HA   GLN 119           HA       GLN 119 -18.138   3.470  10.818
  902    HB2  GLN 119           HB2      GLN 119 -18.035   0.695  11.978
  903    HB3  GLN 119           HB3      GLN 119 -17.917   2.026  13.117
  904    HG2  GLN 119           HG2      GLN 119 -20.192   1.379  12.905
  905    HG3  GLN 119           HG3      GLN 119 -19.985   3.011  12.257
  906   HE21  GLN 119          HE22      GLN 119 -20.836  -0.341  11.474
  907   HE22  GLN 119          HE21      GLN 119 -21.440   0.067   9.862
  908    H    LEU 120           H        LEU 120 -15.099   1.572  11.195
  909    HA   LEU 120           HA       LEU 120 -13.927   3.544  12.980
  910    HB2  LEU 120           HB2      LEU 120 -12.500   1.532  11.181
  911    HB3  LEU 120           HB3      LEU 120 -11.792   2.476  12.478
  912    HG   LEU 120           HG       LEU 120 -13.736   0.161  12.706
  913   HD11  LEU 120          HD11      LEU 120 -10.998   0.733  13.908
  914   HD12  LEU 120          HD12      LEU 120 -11.945  -0.744  14.140
  915   HD13  LEU 120          HD13      LEU 120 -11.337  -0.341  12.524
  916   HD21  LEU 120          HD21      LEU 120 -13.043   2.203  14.834
  917   HD22  LEU 120          HD22      LEU 120 -14.652   1.701  14.290
  918   HD23  LEU 120          HD23      LEU 120 -13.656   0.568  15.213
  919    H    ARG 121           H        ARG 121 -13.373   2.985   9.451
  920    HA   ARG 121           HA       ARG 121 -11.924   5.486   9.232
  921    HB2  ARG 121           HB2      ARG 121 -11.522   4.947   6.967
  922    HB3  ARG 121           HB3      ARG 121 -11.397   3.449   7.879
  923    HG2  ARG 121           HG2      ARG 121 -13.654   2.802   7.152
  924    HG3  ARG 121           HG3      ARG 121 -13.859   4.306   6.255
  925    HD2  ARG 121           HD2      ARG 121 -12.373   3.685   4.585
  926    HD3  ARG 121           HD3      ARG 121 -11.506   2.550   5.637
  927    HE   ARG 121           HE       ARG 121 -14.308   1.888   4.979
  928   HH11  ARG 121          HH21      ARG 121 -10.980   1.415   3.883
  929   HH12  ARG 121          HH22      ARG 121 -11.283  -0.232   3.398
  930   HH21  ARG 121          HH11      ARG 121 -14.652  -0.236   4.301
  931   HH22  ARG 121          HH12      ARG 121 -13.366  -1.113   3.534
  932    H    TYR 122           H        TYR 122 -15.105   5.206   9.656
  933    HA   TYR 122           HA       TYR 122 -16.525   6.272   7.633
  934    HB2  TYR 122           HB2      TYR 122 -17.303   5.322   9.839
  935    HB3  TYR 122           HB3      TYR 122 -16.977   6.870  10.583
  936    HD1  TYR 122           HD2      TYR 122 -18.977   5.142   7.933
  937    HD2  TYR 122           HD1      TYR 122 -18.646   8.603  10.491
  938    HE1  TYR 122           HE2      TYR 122 -21.264   5.846   7.267
  939    HE2  TYR 122           HE1      TYR 122 -20.942   9.307   9.832
  940    HH   TYR 122           HH       TYR 122 -22.920   7.407   7.523
  941    H    GLY 123           H        GLY 123 -14.415   7.960   9.784
  942    HA2  GLY 123           HA2      GLY 123 -15.302  10.395  10.428
  943    HA3  GLY 123           HA3      GLY 123 -13.606  10.106  10.028
  944    H    LYS 124           H        LYS 124 -14.052   9.806   7.114
  945    HA   LYS 124           HA       LYS 124 -15.264  12.398   6.331
  946    HB2  LYS 124           HB2      LYS 124 -12.787  12.598   6.890
  947    HB3  LYS 124           HB3      LYS 124 -12.441  11.549   5.540
  948    HG2  LYS 124           HG2      LYS 124 -12.053  13.898   5.009
  949    HG3  LYS 124           HG3      LYS 124 -13.360  13.310   3.992
  950    HD2  LYS 124           HD2      LYS 124 -15.031  14.428   5.475
  951    HD3  LYS 124           HD3      LYS 124 -13.736  14.871   6.590
  952    HE2  LYS 124           HE2      LYS 124 -14.212  16.827   5.342
  953    HE3  LYS 124           HE3      LYS 124 -12.669  16.224   4.736
  954    HZ1  LYS 124           HZ1      LYS 124 -13.899  15.264   2.836
  955    HZ2  LYS 124           HZ2      LYS 124 -15.314  15.843   3.423
  956    HZ3  LYS 124           HZ3      LYS 124 -14.150  16.878   2.933
  957    H    SER 125           H        SER 125 -15.856   9.445   5.997
  958    HA   SER 125           HA       SER 125 -15.598   8.837   3.127
  959    HB2  SER 125           HB2      SER 125 -17.001   7.410   5.401
  960    HB3  SER 125           HB3      SER 125 -16.841   6.790   3.742
  961    HG   SER 125           HG       SER 125 -14.532   7.739   5.026
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  20.908  -5.649  -4.990
    2    H2   MET   1           H2       MET   1  21.341  -6.696  -3.815
    3    H3   MET   1           H3       MET   1  20.075  -7.045  -4.788
    4    HA   MET   1           HA       MET   1  20.183  -4.820  -2.843
    5    HB2  MET   1           HB2      MET   1  17.884  -5.742  -4.635
    6    HB3  MET   1           HB3      MET   1  17.706  -4.618  -3.293
    7    HG2  MET   1           HG2      MET   1  19.387  -4.143  -5.781
    8    HG3  MET   1           HG3      MET   1  17.821  -3.433  -5.405
    9    HE1  MET   1           HE1      MET   1  20.191  -0.343  -5.225
   10    HE2  MET   1           HE2      MET   1  20.281  -1.720  -6.344
   11    HE3  MET   1           HE3      MET   1  18.700  -1.019  -5.918
   12    H    ALA   2           H        ALA   2  18.791  -5.054  -0.967
   13    HA   ALA   2           HA       ALA   2  18.838  -7.733   0.183
   14    HB1  ALA   2           HB1      ALA   2  19.358  -5.682   1.475
   15    HB2  ALA   2           HB2      ALA   2  17.700  -5.098   1.225
   16    HB3  ALA   2           HB3      ALA   2  17.994  -6.569   2.178
   17    H    SER   3           H        SER   3  16.952  -8.720   1.239
   18    HA   SER   3           HA       SER   3  14.795  -9.169  -0.569
   19    HB2  SER   3           HB2      SER   3  15.007  -9.890   2.378
   20    HB3  SER   3           HB3      SER   3  13.863 -10.578   1.216
   21    HG   SER   3           HG       SER   3  15.716 -11.909   1.502
   22    HA   PRO   4           HA       PRO   4  11.933  -5.973   0.628
   23    HB2  PRO   4           HB2      PRO   4   9.530  -6.982  -0.196
   24    HB3  PRO   4           HB3      PRO   4  10.809  -6.454  -1.335
   25    HG2  PRO   4           HG2      PRO   4  10.230  -9.271  -0.352
   26    HG3  PRO   4           HG3      PRO   4  10.472  -8.714  -2.041
   27    HD2  PRO   4           HD2      PRO   4  12.493  -9.826  -0.603
   28    HD3  PRO   4           HD3      PRO   4  12.797  -8.470  -1.732
   29    H    HIS   5           H        HIS   5  10.514  -5.391   2.250
   30    HA   HIS   5           HA       HIS   5   9.475  -7.406   4.173
   31    HB2  HIS   5           HB2      HIS   5  11.382  -5.101   4.811
   32    HB3  HIS   5           HB3      HIS   5  10.367  -5.871   6.023
   33    HD1  HIS   5           HD1      HIS   5  13.296  -6.901   3.669
   34    HD2  HIS   5           HD2      HIS   5  11.234  -8.046   7.156
   35    HE1  HIS   5           HE1      HIS   5  14.653  -8.775   4.715
   36    H    GLN   6           H        GLN   6   7.756  -6.570   5.518
   37    HA   GLN   6           HA       GLN   6   6.346  -4.218   4.322
   38    HB2  GLN   6           HB2      GLN   6   5.386  -6.616   5.938
   39    HB3  GLN   6           HB3      GLN   6   4.396  -5.174   5.695
   40    HG2  GLN   6           HG2      GLN   6   4.619  -5.424   3.230
   41    HG3  GLN   6           HG3      GLN   6   5.488  -6.952   3.483
   42   HE21  GLN   6          HE22      GLN   6   4.153  -8.605   5.004
   43   HE22  GLN   6          HE21      GLN   6   2.428  -8.637   4.658
   44    H    GLU   7           H        GLU   7   5.449  -2.617   5.558
   45    HA   GLU   7           HA       GLU   7   5.743  -2.545   8.480
   46    HB2  GLU   7           HB2      GLU   7   7.852  -1.507   7.629
   47    HB3  GLU   7           HB3      GLU   7   6.884  -0.360   6.695
   48    HG2  GLU   7           HG2      GLU   7   5.854   0.426   8.885
   49    HG3  GLU   7           HG3      GLU   7   6.989  -0.631   9.728
   50    HA   PRO   8           HA       PRO   8   1.694  -0.805   7.197
   51    HB2  PRO   8           HB2      PRO   8   1.233  -0.930  10.151
   52    HB3  PRO   8           HB3      PRO   8   0.172  -1.481   8.824
   53    HG2  PRO   8           HG2      PRO   8   1.578  -3.254  10.341
   54    HG3  PRO   8           HG3      PRO   8   1.415  -3.491   8.570
   55    HD2  PRO   8           HD2      PRO   8   3.741  -2.285  10.105
   56    HD3  PRO   8           HD3      PRO   8   3.764  -3.512   8.798
   57    H    LYS   9           H        LYS   9   0.843   1.291   7.392
   58    HA   LYS   9           HA       LYS   9   2.561   3.292   8.801
   59    HB2  LYS   9           HB2      LYS   9   1.072   3.233   6.195
   60    HB3  LYS   9           HB3      LYS   9   1.133   4.766   7.046
   61    HG2  LYS   9           HG2      LYS   9   2.925   4.534   5.386
   62    HG3  LYS   9           HG3      LYS   9   3.533   4.827   7.016
   63    HD2  LYS   9           HD2      LYS   9   4.255   2.521   7.256
   64    HD3  LYS   9           HD3      LYS   9   3.454   2.048   5.745
   65    HE2  LYS   9           HE2      LYS   9   4.932   3.500   4.445
   66    HE3  LYS   9           HE3      LYS   9   5.653   4.171   5.916
   67    HZ1  LYS   9           HZ1      LYS   9   5.839   1.303   5.191
   68    HZ2  LYS   9           HZ2      LYS   9   6.995   2.406   4.830
   69    HZ3  LYS   9           HZ3      LYS   9   6.663   2.085   6.397
   70    HA   PRO  10           HA       PRO  10  -0.384   4.176  11.697
   71    HB2  PRO  10           HB2      PRO  10  -0.326   6.879  12.156
   72    HB3  PRO  10           HB3      PRO  10   1.000   5.737  12.592
   73    HG2  PRO  10           HG2      PRO  10   0.751   7.452  10.096
   74    HG3  PRO  10           HG3      PRO  10   2.166   7.284  11.188
   75    HD2  PRO  10           HD2      PRO  10   1.999   5.863   8.893
   76    HD3  PRO  10           HD3      PRO  10   2.634   5.094  10.384
   77    H    GLY  11           H        GLY  11  -2.468   4.131  11.857
   78    HA2  GLY  11           HA2      GLY  11  -4.719   4.626  11.574
   79    HA3  GLY  11           HA3      GLY  11  -4.302   5.927  10.439
   80    H    ASP  12           H        ASP  12  -2.705   3.296   9.267
   81    HA   ASP  12           HA       ASP  12  -4.869   2.580   7.368
   82    HB2  ASP  12           HB2      ASP  12  -1.939   1.792   7.424
   83    HB3  ASP  12           HB3      ASP  12  -3.121   1.291   6.226
   84    H    LEU  13           H        LEU  13  -5.588   0.490   7.047
   85    HA   LEU  13           HA       LEU  13  -5.487  -1.154   9.524
   86    HB2  LEU  13           HB2      LEU  13  -7.734  -1.854   9.190
   87    HB3  LEU  13           HB3      LEU  13  -7.610  -0.120   9.244
   88    HG   LEU  13           HG       LEU  13  -7.552  -0.450   6.541
   89   HD11  LEU  13          HD11      LEU  13  -7.827  -2.892   6.642
   90   HD12  LEU  13          HD12      LEU  13  -9.301  -2.700   7.611
   91   HD13  LEU  13          HD13      LEU  13  -9.264  -2.131   5.929
   92   HD21  LEU  13          HD21      LEU  13  -9.931   0.181   6.590
   93   HD22  LEU  13          HD22      LEU  13 -10.055  -0.360   8.280
   94   HD23  LEU  13          HD23      LEU  13  -9.044   1.036   7.859
   95    H    ILE  14           H        ILE  14  -5.343  -3.249   9.485
   96    HA   ILE  14           HA       ILE  14  -3.785  -4.334   7.177
   97    HB   ILE  14           HB       ILE  14  -3.459  -5.143  10.082
   98   HG12  ILE  14          HG12      ILE  14  -1.838  -2.885   8.840
   99   HG13  ILE  14          HG13      ILE  14  -3.112  -2.648  10.041
  100   HG21  ILE  14          HG21      ILE  14  -2.473  -6.510   8.186
  101   HG22  ILE  14          HG22      ILE  14  -1.485  -5.101   7.746
  102   HG23  ILE  14          HG23      ILE  14  -1.264  -5.913   9.310
  103   HD11  ILE  14          HD11      ILE  14  -0.558  -4.203  10.522
  104   HD12  ILE  14          HD12      ILE  14  -0.994  -2.624  11.173
  105   HD13  ILE  14          HD13      ILE  14  -1.913  -4.057  11.667
  106    H    GLU  15           H        GLU  15  -4.389  -6.266   6.394
  107    HA   GLU  15           HA       GLU  15  -6.525  -7.852   7.724
  108    HB2  GLU  15           HB2      GLU  15  -6.638  -7.153   5.286
  109    HB3  GLU  15           HB3      GLU  15  -5.244  -8.185   4.993
  110    HG2  GLU  15           HG2      GLU  15  -6.561 -10.143   5.808
  111    HG3  GLU  15           HG3      GLU  15  -7.946  -9.069   6.103
  112    H    ILE  16           H        ILE  16  -5.796  -9.338   9.089
  113    HA   ILE  16           HA       ILE  16  -2.966 -10.298   9.026
  114    HB   ILE  16           HB       ILE  16  -5.071 -10.479  11.240
  115   HG12  ILE  16          HG12      ILE  16  -4.698  -8.083  10.822
  116   HG13  ILE  16          HG13      ILE  16  -4.179  -8.619  12.399
  117   HG21  ILE  16          HG21      ILE  16  -2.042 -10.835  11.291
  118   HG22  ILE  16          HG22      ILE  16  -3.107 -10.825  12.723
  119   HG23  ILE  16          HG23      ILE  16  -3.278 -12.082  11.511
  120   HD11  ILE  16          HD11      ILE  16  -1.822  -8.531  11.736
  121   HD12  ILE  16          HD12      ILE  16  -2.290  -8.130  10.067
  122   HD13  ILE  16          HD13      ILE  16  -2.606  -6.993  11.391
  123    H    PHE  17           H        PHE  17  -2.583 -12.457   8.495
  124    HA   PHE  17           HA       PHE  17  -4.793 -14.158   7.743
  125    HB2  PHE  17           HB2      PHE  17  -2.548 -14.203   6.676
  126    HB3  PHE  17           HB3      PHE  17  -1.852 -14.811   8.176
  127    HD1  PHE  17           HD2      PHE  17  -4.265 -15.622   5.440
  128    HD2  PHE  17           HD1      PHE  17  -1.960 -17.152   8.750
  129    HE1  PHE  17           HE2      PHE  17  -4.846 -17.942   4.775
  130    HE2  PHE  17           HE1      PHE  17  -2.545 -19.471   8.081
  131    HZ   PHE  17           HZ       PHE  17  -3.987 -19.870   6.094
  132    H    ARG  18           H        ARG  18  -2.829 -13.861  10.629
  133    HA   ARG  18           HA       ARG  18  -2.821 -14.786  12.669
  134    HB2  ARG  18           HB2      ARG  18  -4.991 -13.579  12.617
  135    HB3  ARG  18           HB3      ARG  18  -5.817 -15.077  12.266
  136    HG2  ARG  18           HG2      ARG  18  -5.971 -14.461  14.648
  137    HG3  ARG  18           HG3      ARG  18  -5.139 -15.990  14.471
  138    HD2  ARG  18           HD2      ARG  18  -2.963 -14.896  14.772
  139    HD3  ARG  18           HD3      ARG  18  -3.765 -13.304  14.859
  140    HE   ARG  18           HE       ARG  18  -4.880 -15.043  16.830
  141   HH11  ARG  18          HH11      ARG  18  -1.971 -13.151  16.233
  142   HH12  ARG  18          HH12      ARG  18  -1.517 -13.087  17.908
  143   HH21  ARG  18          HH21      ARG  18  -4.255 -14.960  19.012
  144   HH22  ARG  18          HH22      ARG  18  -2.812 -14.107  19.460
  145    H    LEU  19           H        LEU  19  -5.321 -17.107  12.605
  146    HA   LEU  19           HA       LEU  19  -3.209 -19.230  12.559
  147    HB2  LEU  19           HB2      LEU  19  -5.160 -18.414  14.736
  148    HB3  LEU  19           HB3      LEU  19  -4.338 -19.980  14.746
  149    HG   LEU  19           HG       LEU  19  -2.914 -17.293  14.807
  150   HD11  LEU  19          HD11      LEU  19  -4.232 -17.686  16.851
  151   HD12  LEU  19          HD12      LEU  19  -3.462 -19.275  17.047
  152   HD13  LEU  19          HD13      LEU  19  -2.495 -17.788  17.173
  153   HD21  LEU  19          HD21      LEU  19  -0.936 -18.644  15.487
  154   HD22  LEU  19          HD22      LEU  19  -1.856 -20.132  15.190
  155   HD23  LEU  19          HD23      LEU  19  -1.461 -19.040  13.847
  156    H    GLY  20           H        GLY  20  -4.477 -19.215  10.400
  157    HA2  GLY  20           HA2      GLY  20  -5.503 -20.819   9.042
  158    HA3  GLY  20           HA3      GLY  20  -6.347 -21.513  10.447
  159    H    TYR  21           H        TYR  21  -6.887 -18.252  10.648
  160    HA   TYR  21           HA       TYR  21  -8.874 -17.908   8.554
  161    HB2  TYR  21           HB2      TYR  21 -10.085 -19.268  10.319
  162    HB3  TYR  21           HB3      TYR  21  -9.839 -17.930  11.437
  163    HD1  TYR  21           HD2      TYR  21 -11.461 -18.995   8.255
  164    HD2  TYR  21           HD1      TYR  21 -11.212 -15.904  11.255
  165    HE1  TYR  21           HE2      TYR  21 -13.442 -17.874   7.255
  166    HE2  TYR  21           HE1      TYR  21 -13.180 -14.772  10.247
  167    HH   TYR  21           HH       TYR  21 -14.863 -16.078   7.356
  168    H    GLU  22           H        GLU  22  -8.850 -15.880   7.958
  169    HA   GLU  22           HA       GLU  22  -7.103 -14.046   9.204
  170    HB2  GLU  22           HB2      GLU  22  -9.063 -13.403   6.970
  171    HB3  GLU  22           HB3      GLU  22  -7.539 -12.611   7.333
  172    HG2  GLU  22           HG2      GLU  22  -6.799 -13.888   5.620
  173    HG3  GLU  22           HG3      GLU  22  -6.577 -15.099   6.877
  174    H    HIS  23           H        HIS  23  -7.437 -11.828   9.853
  175    HA   HIS  23           HA       HIS  23 -10.123 -10.783  10.213
  176    HB2  HIS  23           HB2      HIS  23 -10.168 -10.497  12.576
  177    HB3  HIS  23           HB3      HIS  23  -9.831 -12.186  12.289
  178    HD1  HIS  23           HD1      HIS  23  -8.050  -8.985  13.540
  179    HD2  HIS  23           HD2      HIS  23  -7.580 -13.156  13.295
  180    HE1  HIS  23           HE1      HIS  23  -6.087  -9.578  15.054
  181    H    TRP  24           H        TRP  24 -10.014  -8.492  11.284
  182    HA   TRP  24           HA       TRP  24  -7.836  -7.057   9.915
  183    HB2  TRP  24           HB2      TRP  24 -10.341  -6.042  11.291
  184    HB3  TRP  24           HB3      TRP  24  -9.209  -5.089  10.344
  185    HD1  TRP  24           HD1      TRP  24 -12.337  -6.939  10.028
  186    HE1  TRP  24           HE1      TRP  24 -13.092  -7.140   7.606
  187    HE3  TRP  24           HE3      TRP  24  -8.037  -5.389   7.748
  188    HZ2  TRP  24           HZ2      TRP  24 -12.009  -6.558   4.979
  189    HZ3  TRP  24           HZ3      TRP  24  -7.963  -5.126   5.294
  190    HH2  TRP  24           HH2      TRP  24  -9.919  -5.722   3.889
  191    H    ALA  25           H        ALA  25  -6.733  -5.290  10.807
  192    HA   ALA  25           HA       ALA  25  -6.904  -4.630  13.671
  193    HB1  ALA  25           HB1      ALA  25  -5.147  -6.399  13.556
  194    HB2  ALA  25           HB2      ALA  25  -4.271  -5.443  12.340
  195    HB3  ALA  25           HB3      ALA  25  -4.460  -4.826  13.998
  196    H    LEU  26           H        LEU  26  -5.761  -2.563  14.140
  197    HA   LEU  26           HA       LEU  26  -5.411  -0.741  11.763
  198    HB2  LEU  26           HB2      LEU  26  -7.592  -0.582  13.104
  199    HB3  LEU  26           HB3      LEU  26  -6.638  -0.076  14.477
  200    HG   LEU  26           HG       LEU  26  -7.633   1.833  13.554
  201   HD11  LEU  26          HD11      LEU  26  -4.855   2.116  12.410
  202   HD12  LEU  26          HD12      LEU  26  -5.912   3.353  13.108
  203   HD13  LEU  26          HD13      LEU  26  -5.196   2.119  14.157
  204   HD21  LEU  26          HD21      LEU  26  -7.466   2.541  11.211
  205   HD22  LEU  26          HD22      LEU  26  -6.479   1.121  10.832
  206   HD23  LEU  26          HD23      LEU  26  -8.178   0.920  11.323
  207    H    TYR  27           H        TYR  27  -3.372   0.167  11.771
  208    HA   TYR  27           HA       TYR  27  -1.568  -0.171  14.046
  209    HB2  TYR  27           HB2      TYR  27  -1.107  -0.422  11.544
  210    HB3  TYR  27           HB3      TYR  27  -1.124   1.312  11.442
  211    HD1  TYR  27           HD1      TYR  27   0.611  -1.632  12.961
  212    HD2  TYR  27           HD2      TYR  27   0.861   2.558  12.008
  213    HE1  TYR  27           HE1      TYR  27   3.078  -1.724  13.204
  214    HE2  TYR  27           HE2      TYR  27   3.332   2.474  12.235
  215    HH   TYR  27           HH       TYR  27   5.067  -0.576  12.936
  216    H    ILE  28           H        ILE  28  -2.280   1.080  15.759
  217    HA   ILE  28           HA       ILE  28  -3.067   3.908  15.376
  218    HB   ILE  28           HB       ILE  28  -3.357   3.919  17.852
  219   HG12  ILE  28          HG12      ILE  28  -2.955   0.911  17.858
  220   HG13  ILE  28          HG13      ILE  28  -1.629   2.005  18.244
  221   HG21  ILE  28          HG21      ILE  28  -5.407   2.690  17.821
  222   HG22  ILE  28          HG22      ILE  28  -5.165   3.383  16.221
  223   HG23  ILE  28          HG23      ILE  28  -4.843   1.651  16.481
  224   HD11  ILE  28          HD11      ILE  28  -4.275   1.946  19.748
  225   HD12  ILE  28          HD12      ILE  28  -2.737   1.229  20.274
  226   HD13  ILE  28          HD13      ILE  28  -2.881   2.986  20.103
  227    H    GLY  29           H        GLY  29  -0.079   2.354  16.157
  228    HA2  GLY  29           HA2      GLY  29   1.272   4.958  16.382
  229    HA3  GLY  29           HA3      GLY  29   1.373   3.923  17.809
  230    H    ASP  30           H        ASP  30   3.726   4.450  16.740
  231    HA   ASP  30           HA       ASP  30   4.517   2.774  14.566
  232    HB2  ASP  30           HB2      ASP  30   6.168   4.167  16.711
  233    HB3  ASP  30           HB3      ASP  30   6.844   3.351  15.300
  234    H    GLY  31           H        GLY  31   3.776   0.734  14.998
  235    HA2  GLY  31           HA2      GLY  31   4.469  -1.511  15.360
  236    HA3  GLY  31           HA3      GLY  31   5.361  -1.019  16.828
  237    H    TYR  32           H        TYR  32   2.474   0.559  17.048
  238    HA   TYR  32           HA       TYR  32   1.286  -1.612  18.736
  239    HB2  TYR  32           HB2      TYR  32   1.139   1.408  18.936
  240    HB3  TYR  32           HB3      TYR  32   0.093   0.322  19.844
  241    HD1  TYR  32           HD2      TYR  32   1.043  -1.332  21.468
  242    HD2  TYR  32           HD1      TYR  32   3.466   1.715  19.613
  243    HE1  TYR  32           HE2      TYR  32   2.799  -1.681  23.199
  244    HE2  TYR  32           HE1      TYR  32   5.227   1.369  21.337
  245    HH   TYR  32           HH       TYR  32   5.856   0.190  23.208
  246    H    VAL  33           H        VAL  33  -0.829  -2.194  18.603
  247    HA   VAL  33           HA       VAL  33  -2.405  -1.125  16.315
  248    HB   VAL  33           HB       VAL  33  -2.960  -3.398  15.564
  249   HG11  VAL  33          HG11      VAL  33  -0.869  -3.979  14.454
  250   HG12  VAL  33          HG12      VAL  33  -1.120  -2.235  14.435
  251   HG13  VAL  33          HG13      VAL  33   0.053  -2.951  15.569
  252   HG21  VAL  33          HG21      VAL  33  -0.843  -4.395  17.512
  253   HG22  VAL  33          HG22      VAL  33  -2.585  -4.700  17.649
  254   HG23  VAL  33          HG23      VAL  33  -1.664  -5.358  16.283
  255    H    ILE  34           H        ILE  34  -4.582  -1.608  16.264
  256    HA   ILE  34           HA       ILE  34  -5.874  -2.637  18.792
  257    HB   ILE  34           HB       ILE  34  -6.839  -0.633  16.708
  258   HG12  ILE  34          HG12      ILE  34  -5.308   0.241  18.490
  259   HG13  ILE  34          HG13      ILE  34  -6.875   1.015  18.395
  260   HG21  ILE  34          HG21      ILE  34  -8.421  -1.928  18.964
  261   HG22  ILE  34          HG22      ILE  34  -8.936  -0.459  18.108
  262   HG23  ILE  34          HG23      ILE  34  -8.766  -1.975  17.220
  263   HD11  ILE  34          HD11      ILE  34  -6.116   0.661  20.716
  264   HD12  ILE  34          HD12      ILE  34  -7.659  -0.132  20.373
  265   HD13  ILE  34          HD13      ILE  34  -6.162  -1.095  20.454
  266    H    HIS  35           H        HIS  35  -7.261  -4.438  18.468
  267    HA   HIS  35           HA       HIS  35  -8.114  -5.032  15.707
  268    HB2  HIS  35           HB2      HIS  35  -7.162  -7.186  15.549
  269    HB3  HIS  35           HB3      HIS  35  -5.839  -6.148  16.058
  270    HD1  HIS  35           HD1      HIS  35  -7.650  -9.272  17.055
  271    HD2  HIS  35           HD2      HIS  35  -5.220  -6.328  18.833
  272    HE1  HIS  35           HE1      HIS  35  -6.792 -10.270  19.231
  273    H    LEU  36           H        LEU  36  -9.866  -6.542  15.581
  274    HA   LEU  36           HA       LEU  36 -11.385  -6.930  18.108
  275    HB2  LEU  36           HB2      LEU  36 -12.494  -5.896  16.232
  276    HB3  LEU  36           HB3      LEU  36 -12.088  -7.219  15.153
  277    HG   LEU  36           HG       LEU  36 -14.472  -7.028  15.934
  278   HD11  LEU  36          HD11      LEU  36 -13.650  -9.109  14.931
  279   HD12  LEU  36          HD12      LEU  36 -13.159  -9.703  16.526
  280   HD13  LEU  36          HD13      LEU  36 -14.864  -9.417  16.180
  281   HD21  LEU  36          HD21      LEU  36 -13.475  -8.180  18.562
  282   HD22  LEU  36          HD22      LEU  36 -13.978  -6.489  18.321
  283   HD23  LEU  36          HD23      LEU  36 -15.145  -7.799  18.109
  284    H    ALA  37           H        ALA  37 -10.953  -8.707  19.209
  285    HA   ALA  37           HA       ALA  37  -9.832 -11.138  18.006
  286    HB1  ALA  37           HB1      ALA  37  -9.943 -11.984  20.325
  287    HB2  ALA  37           HB2      ALA  37  -9.127 -10.413  20.231
  288    HB3  ALA  37           HB3      ALA  37 -10.798 -10.509  20.828
  289    HA   PRO  38           HA       PRO  38 -13.898 -12.086  16.614
  290    HB2  PRO  38           HB2      PRO  38 -13.602 -14.658  15.672
  291    HB3  PRO  38           HB3      PRO  38 -12.892 -13.208  14.891
  292    HG2  PRO  38           HG2      PRO  38 -11.556 -15.109  16.839
  293    HG3  PRO  38           HG3      PRO  38 -10.945 -14.544  15.246
  294    HD2  PRO  38           HD2      PRO  38 -10.164 -13.362  17.551
  295    HD3  PRO  38           HD3      PRO  38 -10.493 -12.376  16.090
  296    HA   PRO  39           HA       PRO  39 -16.169 -14.512  19.662
  297    HB2  PRO  39           HB2      PRO  39 -18.553 -14.852  18.416
  298    HB3  PRO  39           HB3      PRO  39 -17.981 -13.242  18.926
  299    HG2  PRO  39           HG2      PRO  39 -17.862 -14.484  16.165
  300    HG3  PRO  39           HG3      PRO  39 -18.355 -12.824  16.623
  301    HD2  PRO  39           HD2      PRO  39 -15.823 -13.578  15.735
  302    HD3  PRO  39           HD3      PRO  39 -16.136 -12.130  16.723
  303    H    SER  40           H        SER  40 -17.408 -16.633  19.830
  304    HA   SER  40           HA       SER  40 -16.517 -18.712  17.868
  305    HB2  SER  40           HB2      SER  40 -16.233 -18.882  20.893
  306    HB3  SER  40           HB3      SER  40 -16.050 -20.240  19.776
  307    HG   SER  40           HG       SER  40 -14.034 -19.262  20.328
  308    H    GLU  41           H        GLU  41 -18.090 -20.153  17.333
  309    HA   GLU  41           HA       GLU  41 -20.166 -20.887  16.958
  310    HB2  GLU  41           HB2      GLU  41 -20.674 -20.827  19.941
  311    HB3  GLU  41           HB3      GLU  41 -21.469 -21.810  18.708
  312    HG2  GLU  41           HG2      GLU  41 -18.572 -22.047  19.642
  313    HG3  GLU  41           HG3      GLU  41 -19.898 -23.125  20.026
  314    H    TYR  42           H        TYR  42 -19.801 -18.166  16.677
  315    HA   TYR  42           HA       TYR  42 -21.768 -16.440  17.686
  316    HB2  TYR  42           HB2      TYR  42 -21.259 -15.140  15.589
  317    HB3  TYR  42           HB3      TYR  42 -19.879 -15.597  16.561
  318    HD1  TYR  42           HD1      TYR  42 -21.775 -16.514  13.462
  319    HD2  TYR  42           HD2      TYR  42 -18.080 -16.888  15.657
  320    HE1  TYR  42           HE1      TYR  42 -20.731 -17.652  11.511
  321    HE2  TYR  42           HE2      TYR  42 -17.036 -18.022  13.715
  322    HH   TYR  42           HH       TYR  42 -17.347 -18.826  11.577
  323    HA   PRO  43           HA       PRO  43 -25.690 -17.384  15.845
  324    HB2  PRO  43           HB2      PRO  43 -25.720 -14.542  14.799
  325    HB3  PRO  43           HB3      PRO  43 -27.020 -15.457  15.630
  326    HG2  PRO  43           HG2      PRO  43 -25.526 -13.670  17.008
  327    HG3  PRO  43           HG3      PRO  43 -25.876 -15.272  17.739
  328    HD2  PRO  43           HD2      PRO  43 -23.360 -14.369  16.307
  329    HD3  PRO  43           HD3      PRO  43 -23.531 -15.265  17.849
  330    H    GLY  44           H        GLY  44 -25.921 -18.627  14.138
  331    HA2  GLY  44           HA2      GLY  44 -26.086 -19.091  11.778
  332    HA3  GLY  44           HA3      GLY  44 -24.799 -17.900  11.449
  333    H    ALA  45           H        ALA  45 -24.634 -20.228  14.118
  334    HA   ALA  45           HA       ALA  45 -22.205 -21.474  13.148
  335    HB1  ALA  45           HB1      ALA  45 -22.846 -21.058  15.561
  336    HB2  ALA  45           HB2      ALA  45 -24.062 -22.345  15.395
  337    HB3  ALA  45           HB3      ALA  45 -22.330 -22.716  15.229
  338    H    GLY  46           H        GLY  46 -22.349 -24.111  13.625
  339    HA2  GLY  46           HA2      GLY  46 -23.463 -25.184  11.193
  340    HA3  GLY  46           HA3      GLY  46 -22.565 -26.072  12.441
  341    H    SER  47           H        SER  47 -25.706 -24.390  12.342
  342    HA   SER  47           HA       SER  47 -27.392 -26.704  12.527
  343    HB2  SER  47           HB2      SER  47 -26.382 -26.748  14.829
  344    HB3  SER  47           HB3      SER  47 -27.085 -25.150  15.119
  345    HG   SER  47           HG       SER  47 -28.352 -26.967  15.893
  346    H    SER  48           H        SER  48 -29.530 -25.312  14.010
  347    HA   SER  48           HA       SER  48 -30.626 -23.722  11.858
  348    HB2  SER  48           HB2      SER  48 -32.562 -23.518  13.401
  349    HB3  SER  48           HB3      SER  48 -32.016 -25.183  13.181
  350    HG   SER  48           HG       SER  48 -32.427 -24.672  15.392
  351    H    SER  49           H        SER  49 -28.599 -22.800  14.392
  352    HA   SER  49           HA       SER  49 -28.359 -20.084  13.702
  353    HB2  SER  49           HB2      SER  49 -30.200 -20.500  16.088
  354    HB3  SER  49           HB3      SER  49 -29.238 -19.031  15.885
  355    HG   SER  49           HG       SER  49 -30.912 -20.017  13.840
  356    H    VAL  50           H        VAL  50 -28.252 -22.202  16.637
  357    HA   VAL  50           HA       VAL  50 -25.372 -21.476  16.958
  358    HB   VAL  50           HB       VAL  50 -26.713 -20.103  18.493
  359   HG11  VAL  50          HG11      VAL  50 -27.835 -21.064  20.447
  360   HG12  VAL  50          HG12      VAL  50 -28.609 -21.621  18.956
  361   HG13  VAL  50          HG13      VAL  50 -27.526 -22.707  19.854
  362   HG21  VAL  50          HG21      VAL  50 -24.382 -20.834  19.044
  363   HG22  VAL  50          HG22      VAL  50 -25.388 -20.453  20.450
  364   HG23  VAL  50          HG23      VAL  50 -25.071 -22.147  20.032
  365    H    PHE  51           H        PHE  51 -24.050 -23.065  17.917
  366    HA   PHE  51           HA       PHE  51 -25.153 -25.804  18.204
  367    HB2  PHE  51           HB2      PHE  51 -24.609 -25.435  15.795
  368    HB3  PHE  51           HB3      PHE  51 -22.983 -24.956  16.232
  369    HD1  PHE  51           HD2      PHE  51 -25.365 -27.851  16.717
  370    HD2  PHE  51           HD1      PHE  51 -21.280 -26.580  16.145
  371    HE1  PHE  51           HE2      PHE  51 -24.642 -30.219  16.615
  372    HE2  PHE  51           HE1      PHE  51 -20.563 -28.954  16.032
  373    HZ   PHE  51           HZ       PHE  51 -22.239 -30.775  16.269
  374    H    SER  52           H        SER  52 -23.757 -27.266  19.210
  375    HA   SER  52           HA       SER  52 -22.303 -28.139  20.647
  376    HB2  SER  52           HB2      SER  52 -20.060 -27.810  20.372
  377    HB3  SER  52           HB3      SER  52 -20.718 -27.327  18.808
  378    HG   SER  52           HG       SER  52 -20.045 -25.328  19.135
  379    H    VAL  53           H        VAL  53 -22.270 -24.629  21.062
  380    HA   VAL  53           HA       VAL  53 -23.099 -24.727  23.827
  381    HB   VAL  53           HB       VAL  53 -20.665 -25.188  24.113
  382   HG11  VAL  53          HG11      VAL  53 -19.728 -24.002  22.185
  383   HG12  VAL  53          HG12      VAL  53 -20.182 -22.437  22.897
  384   HG13  VAL  53          HG13      VAL  53 -18.978 -23.469  23.689
  385   HG21  VAL  53          HG21      VAL  53 -21.970 -23.963  25.852
  386   HG22  VAL  53          HG22      VAL  53 -20.235 -23.621  25.860
  387   HG23  VAL  53          HG23      VAL  53 -21.356 -22.432  25.181
  388    H    LEU  54           H        LEU  54 -23.666 -22.556  24.592
  389    HA   LEU  54           HA       LEU  54 -24.830 -20.919  22.595
  390    HB2  LEU  54           HB2      LEU  54 -24.112 -20.247  25.476
  391    HB3  LEU  54           HB3      LEU  54 -25.178 -19.290  24.455
  392    HG   LEU  54           HG       LEU  54 -25.730 -22.143  25.372
  393   HD11  LEU  54          HD11      LEU  54 -26.990 -19.485  26.179
  394   HD12  LEU  54          HD12      LEU  54 -27.490 -21.097  26.742
  395   HD13  LEU  54          HD13      LEU  54 -25.890 -20.465  27.175
  396   HD21  LEU  54          HD21      LEU  54 -26.784 -21.792  23.186
  397   HD22  LEU  54          HD22      LEU  54 -28.020 -21.738  24.443
  398   HD23  LEU  54          HD23      LEU  54 -27.439 -20.224  23.715
  399    H    SER  55           H        SER  55 -24.378 -18.843  21.816
  400    HA   SER  55           HA       SER  55 -21.807 -18.620  20.767
  401    HB2  SER  55           HB2      SER  55 -23.917 -16.440  21.021
  402    HB3  SER  55           HB3      SER  55 -22.552 -16.448  19.889
  403    HG   SER  55           HG       SER  55 -23.447 -18.413  19.009
  404    H    ASN  56           H        ASN  56 -19.936 -17.734  21.317
  405    HA   ASN  56           HA       ASN  56 -19.650 -16.323  23.898
  406    HB2  ASN  56           HB2      ASN  56 -17.574 -17.315  21.908
  407    HB3  ASN  56           HB3      ASN  56 -17.244 -16.658  23.506
  408   HD21  ASN  56          HD22      ASN  56 -18.629 -19.460  21.766
  409   HD22  ASN  56          HD21      ASN  56 -18.567 -20.535  23.159
  410    H    SER  57           H        SER  57 -18.647 -14.241  24.109
  411    HA   SER  57           HA       SER  57 -19.325 -12.414  21.957
  412    HB2  SER  57           HB2      SER  57 -17.796 -11.757  24.493
  413    HB3  SER  57           HB3      SER  57 -18.765 -10.674  23.475
  414    HG   SER  57           HG       SER  57 -19.849 -11.381  25.414
  415    H    ALA  58           H        ALA  58 -17.999 -10.904  20.939
  416    HA   ALA  58           HA       ALA  58 -15.133 -11.566  20.478
  417    HB1  ALA  58           HB1      ALA  58 -16.946  -9.507  19.129
  418    HB2  ALA  58           HB2      ALA  58 -15.393 -10.132  18.540
  419    HB3  ALA  58           HB3      ALA  58 -16.818 -11.182  18.581
  420    H    GLU  59           H        GLU  59 -13.576  -9.708  20.628
  421    HA   GLU  59           HA       GLU  59 -14.421  -7.456  22.384
  422    HB2  GLU  59           HB2      GLU  59 -13.680  -9.311  23.870
  423    HB3  GLU  59           HB3      GLU  59 -12.108  -9.331  23.052
  424    HG2  GLU  59           HG2      GLU  59 -11.652  -7.037  23.824
  425    HG3  GLU  59           HG3      GLU  59 -13.277  -6.911  24.496
  426    H    VAL  60           H        VAL  60 -13.450  -5.563  21.889
  427    HA   VAL  60           HA       VAL  60 -11.298  -5.521  19.843
  428    HB   VAL  60           HB       VAL  60 -12.638  -3.211  21.254
  429   HG11  VAL  60          HG11      VAL  60 -10.817  -3.302  18.793
  430   HG12  VAL  60          HG12      VAL  60 -11.651  -1.849  19.384
  431   HG13  VAL  60          HG13      VAL  60 -10.391  -2.604  20.363
  432   HG21  VAL  60          HG21      VAL  60 -13.855  -2.840  19.139
  433   HG22  VAL  60          HG22      VAL  60 -13.137  -4.310  18.455
  434   HG23  VAL  60          HG23      VAL  60 -14.265  -4.411  19.829
  435    H    LYS  61           H        LYS  61  -9.214  -5.409  20.340
  436    HA   LYS  61           HA       LYS  61  -8.316  -4.822  23.147
  437    HB2  LYS  61           HB2      LYS  61  -7.511  -7.078  21.253
  438    HB3  LYS  61           HB3      LYS  61  -6.768  -6.755  22.825
  439    HG2  LYS  61           HG2      LYS  61  -9.019  -7.137  23.908
  440    HG3  LYS  61           HG3      LYS  61  -9.677  -7.530  22.312
  441    HD2  LYS  61           HD2      LYS  61  -9.235  -9.597  23.361
  442    HD3  LYS  61           HD3      LYS  61  -7.980  -9.389  22.127
  443    HE2  LYS  61           HE2      LYS  61  -6.387  -8.603  23.872
  444    HE3  LYS  61           HE3      LYS  61  -7.653  -8.768  25.101
  445    HZ1  LYS  61           HZ1      LYS  61  -7.686 -11.161  24.646
  446    HZ2  LYS  61           HZ2      LYS  61  -6.520 -11.004  23.502
  447    HZ3  LYS  61           HZ3      LYS  61  -6.174 -10.689  25.067
  448    H    ARG  62           H        ARG  62  -6.208  -4.029  23.437
  449    HA   ARG  62           HA       ARG  62  -4.837  -2.850  21.047
  450    HB2  ARG  62           HB2      ARG  62  -5.603  -1.273  22.858
  451    HB3  ARG  62           HB3      ARG  62  -4.515  -2.098  23.982
  452    HG2  ARG  62           HG2      ARG  62  -2.603  -1.512  22.379
  453    HG3  ARG  62           HG3      ARG  62  -3.755  -0.549  21.458
  454    HD2  ARG  62           HD2      ARG  62  -3.002  -0.158  24.387
  455    HD3  ARG  62           HD3      ARG  62  -2.343   0.766  23.026
  456    HE   ARG  62           HE       ARG  62  -5.090   1.107  22.820
  457   HH11  ARG  62          HH11      ARG  62  -2.646   1.879  25.258
  458   HH12  ARG  62          HH12      ARG  62  -3.544   3.228  25.880
  459   HH21  ARG  62          HH21      ARG  62  -6.251   2.853  23.737
  460   HH22  ARG  62          HH22      ARG  62  -5.537   3.773  25.020
  461    H    GLU  63           H        GLU  63  -2.796  -3.484  20.557
  462    HA   GLU  63           HA       GLU  63  -1.137  -5.200  22.322
  463    HB2  GLU  63           HB2      GLU  63  -2.240  -6.078  19.621
  464    HB3  GLU  63           HB3      GLU  63  -1.065  -6.982  20.559
  465    HG2  GLU  63           HG2      GLU  63  -3.980  -6.538  21.242
  466    HG3  GLU  63           HG3      GLU  63  -3.236  -7.995  20.610
  467    H    ARG  64           H        ARG  64   0.841  -5.977  20.911
  468    HA   ARG  64           HA       ARG  64   1.843  -3.748  19.200
  469    HB2  ARG  64           HB2      ARG  64   3.280  -6.283  20.019
  470    HB3  ARG  64           HB3      ARG  64   3.984  -4.866  19.269
  471    HG2  ARG  64           HG2      ARG  64   3.618  -3.520  21.265
  472    HG3  ARG  64           HG3      ARG  64   2.763  -4.848  22.068
  473    HD2  ARG  64           HD2      ARG  64   5.674  -4.907  21.191
  474    HD3  ARG  64           HD3      ARG  64   5.097  -4.642  22.847
  475    HE   ARG  64           HE       ARG  64   3.895  -7.032  22.022
  476   HH11  ARG  64          HH11      ARG  64   7.247  -6.013  22.572
  477   HH12  ARG  64          HH12      ARG  64   7.788  -7.649  22.795
  478   HH21  ARG  64          HH21      ARG  64   4.638  -9.072  22.247
  479   HH22  ARG  64          HH22      ARG  64   6.313  -9.372  22.636
  480    H    LEU  65           H        LEU  65   2.543  -4.235  17.002
  481    HA   LEU  65           HA       LEU  65   0.841  -5.853  15.439
  482    HB2  LEU  65           HB2      LEU  65   2.256  -3.992  14.583
  483    HB3  LEU  65           HB3      LEU  65   3.707  -4.956  14.867
  484    HG   LEU  65           HG       LEU  65   2.862  -6.640  13.181
  485   HD11  LEU  65          HD11      LEU  65   0.750  -4.502  12.633
  486   HD12  LEU  65          HD12      LEU  65   1.066  -5.928  11.617
  487   HD13  LEU  65          HD13      LEU  65   0.431  -6.140  13.250
  488   HD21  LEU  65          HD21      LEU  65   4.495  -4.893  12.567
  489   HD22  LEU  65          HD22      LEU  65   3.417  -5.286  11.217
  490   HD23  LEU  65          HD23      LEU  65   3.158  -3.796  12.147
  491    H    GLU  66           H        GLU  66   4.143  -6.711  16.580
  492    HA   GLU  66           HA       GLU  66   4.255  -9.281  15.510
  493    HB2  GLU  66           HB2      GLU  66   6.026  -9.734  17.079
  494    HB3  GLU  66           HB3      GLU  66   6.157  -8.093  16.459
  495    HG2  GLU  66           HG2      GLU  66   5.127  -7.246  18.601
  496    HG3  GLU  66           HG3      GLU  66   5.124  -8.904  19.215
  497    H    ASP  67           H        ASP  67   2.459  -8.353  18.472
  498    HA   ASP  67           HA       ASP  67   2.123 -11.121  19.368
  499    HB2  ASP  67           HB2      ASP  67   0.599  -8.589  20.103
  500    HB3  ASP  67           HB3      ASP  67   0.461 -10.143  20.917
  501    H    VAL  68           H        VAL  68   0.278  -8.768  17.482
  502    HA   VAL  68           HA       VAL  68  -2.032 -10.463  17.109
  503    HB   VAL  68           HB       VAL  68  -1.201  -7.937  15.662
  504   HG11  VAL  68          HG11      VAL  68  -2.759  -9.137  14.225
  505   HG12  VAL  68          HG12      VAL  68  -3.857  -9.434  15.595
  506   HG13  VAL  68          HG13      VAL  68  -3.599  -7.783  14.984
  507   HG21  VAL  68          HG21      VAL  68  -3.060  -6.994  17.143
  508   HG22  VAL  68          HG22      VAL  68  -3.067  -8.542  17.994
  509   HG23  VAL  68          HG23      VAL  68  -1.601  -7.540  17.999
  510    H    VAL  69           H        VAL  69   0.840  -9.790  15.148
  511    HA   VAL  69           HA       VAL  69  -0.104 -11.415  12.926
  512    HB   VAL  69           HB       VAL  69   2.551 -10.105  13.578
  513   HG11  VAL  69          HG11      VAL  69   3.169 -10.483  11.206
  514   HG12  VAL  69          HG12      VAL  69   3.061 -11.997  12.096
  515   HG13  VAL  69          HG13      VAL  69   1.736 -11.526  11.011
  516   HG21  VAL  69          HG21      VAL  69   0.540  -8.649  13.097
  517   HG22  VAL  69          HG22      VAL  69   1.820  -8.490  11.875
  518   HG23  VAL  69          HG23      VAL  69   0.369  -9.465  11.539
  519    H    GLY  70           H        GLY  70   2.181 -12.031  15.670
  520    HA2  GLY  70           HA2      GLY  70   2.881 -14.008  16.575
  521    HA3  GLY  70           HA3      GLY  70   1.570 -14.803  15.673
  522    H    GLY  71           H        GLY  71   3.953 -13.146  13.777
  523    HA2  GLY  71           HA2      GLY  71   5.743 -13.915  12.479
  524    HA3  GLY  71           HA3      GLY  71   5.556 -15.544  13.167
  525    H    CYS  72           H        CYS  72   2.499 -14.706  12.178
  526    HA   CYS  72           HA       CYS  72   2.644 -16.315   9.736
  527    HB2  CYS  72           HB2      CYS  72   0.303 -14.920  11.126
  528    HB3  CYS  72           HB3      CYS  72   0.175 -16.129   9.845
  529    HG   CYS  72           HG       CYS  72  -0.465 -17.322  12.022
  530    H    CYS  73           H        CYS  73   0.959 -15.444   7.959
  531    HA   CYS  73           HA       CYS  73   2.152 -13.118   6.716
  532    HB2  CYS  73           HB2      CYS  73  -0.300 -14.785   5.960
  533    HB3  CYS  73           HB3      CYS  73   0.485 -13.598   4.917
  534    HG   CYS  73           HG       CYS  73   2.865 -14.746   4.902
  535    H    TYR  74           H        TYR  74   1.083 -11.254   5.980
  536    HA   TYR  74           HA       TYR  74  -1.516 -10.387   6.819
  537    HB2  TYR  74           HB2      TYR  74  -0.940  -8.581   8.296
  538    HB3  TYR  74           HB3      TYR  74  -0.330 -10.059   8.997
  539    HD1  TYR  74           HD2      TYR  74   2.179 -10.576   8.796
  540    HD2  TYR  74           HD1      TYR  74   0.504  -6.729   7.805
  541    HE1  TYR  74           HE2      TYR  74   4.423  -9.534   9.044
  542    HE2  TYR  74           HE1      TYR  74   2.737  -5.685   8.045
  543    HH   TYR  74           HH       TYR  74   4.961  -6.021   8.581
  544    H    ARG  75           H        ARG  75  -1.916  -8.075   6.101
  545    HA   ARG  75           HA       ARG  75   0.101  -6.636   4.694
  546    HB2  ARG  75           HB2      ARG  75  -0.633  -6.572   2.450
  547    HB3  ARG  75           HB3      ARG  75  -0.339  -8.238   2.872
  548    HG2  ARG  75           HG2      ARG  75  -3.075  -6.904   2.662
  549    HG3  ARG  75           HG3      ARG  75  -2.317  -7.939   1.454
  550    HD2  ARG  75           HD2      ARG  75  -2.298  -9.810   3.147
  551    HD3  ARG  75           HD3      ARG  75  -3.174  -8.757   4.246
  552    HE   ARG  75           HE       ARG  75  -5.139  -8.950   2.970
  553   HH11  ARG  75          HH22      ARG  75  -2.577 -10.616   1.132
  554   HH12  ARG  75          HH21      ARG  75  -3.753 -11.358   0.092
  555   HH21  ARG  75          HH11      ARG  75  -6.483  -9.869   1.708
  556   HH22  ARG  75          HH12      ARG  75  -5.994 -10.939   0.396
  557    H    VAL  76           H        VAL  76  -0.506  -4.470   4.078
  558    HA   VAL  76           HA       VAL  76  -2.834  -3.395   5.530
  559    HB   VAL  76           HB       VAL  76  -0.882  -2.054   3.639
  560   HG11  VAL  76          HG11      VAL  76  -1.892   0.104   4.416
  561   HG12  VAL  76          HG12      VAL  76  -3.011  -0.842   3.438
  562   HG13  VAL  76          HG13      VAL  76  -3.196  -0.809   5.203
  563   HG21  VAL  76          HG21      VAL  76  -1.308  -1.834   6.657
  564   HG22  VAL  76          HG22      VAL  76   0.036  -2.681   5.864
  565   HG23  VAL  76          HG23      VAL  76  -0.116  -0.922   5.707
  566    H    ASN  77           H        ASN  77  -4.822  -2.965   4.739
  567    HA   ASN  77           HA       ASN  77  -5.409  -3.067   1.862
  568    HB2  ASN  77           HB2      ASN  77  -5.255  -5.458   2.433
  569    HB3  ASN  77           HB3      ASN  77  -6.431  -5.247   3.719
  570   HD21  ASN  77          HD22      ASN  77  -7.422  -7.112   2.307
  571   HD22  ASN  77          HD21      ASN  77  -8.512  -6.560   1.046
  572    H    ASN  78           H        ASN  78  -5.866  -0.870   2.612
  573    HA   ASN  78           HA       ASN  78  -8.337  -0.325   4.075
  574    HB2  ASN  78           HB2      ASN  78  -6.193   1.304   2.711
  575    HB3  ASN  78           HB3      ASN  78  -7.766   2.036   2.980
  576   HD21  ASN  78          HD22      ASN  78  -8.644   2.294   5.084
  577   HD22  ASN  78          HD21      ASN  78  -7.551   2.296   6.469
  578    H    SER  79           H        SER  79  -9.207  -2.094   2.543
  579    HA   SER  79           HA       SER  79  -9.766  -2.034  -0.074
  580    HB2  SER  79           HB2      SER  79 -11.863  -3.313   0.506
  581    HB3  SER  79           HB3      SER  79 -10.380  -3.873   1.292
  582    HG   SER  79           HG       SER  79 -12.075  -3.764   2.761
  583    H    LEU  80           H        LEU  80 -12.414  -0.888   2.020
  584    HA   LEU  80           HA       LEU  80 -13.800   0.372  -0.139
  585    HB2  LEU  80           HB2      LEU  80 -14.107   0.872   2.856
  586    HB3  LEU  80           HB3      LEU  80 -15.255   1.306   1.603
  587    HG   LEU  80           HG       LEU  80 -14.515  -1.520   2.449
  588   HD11  LEU  80          HD11      LEU  80 -16.021  -0.267   3.977
  589   HD12  LEU  80          HD12      LEU  80 -17.129   0.034   2.623
  590   HD13  LEU  80          HD13      LEU  80 -16.844  -1.628   3.192
  591   HD21  LEU  80          HD21      LEU  80 -16.320  -2.250   0.862
  592   HD22  LEU  80          HD22      LEU  80 -16.343  -0.606   0.193
  593   HD23  LEU  80          HD23      LEU  80 -14.887  -1.608   0.052
  594    H    ASP  81           H        ASP  81 -11.337   1.721   2.028
  595    HA   ASP  81           HA       ASP  81 -11.860   4.485   1.404
  596    HB2  ASP  81           HB2      ASP  81  -9.173   3.318   2.110
  597    HB3  ASP  81           HB3      ASP  81  -9.756   4.952   2.400
  598    H    HIS  82           H        HIS  82  -9.911   1.952  -0.126
  599    HA   HIS  82           HA       HIS  82  -8.893   3.650  -2.283
  600    HB2  HIS  82           HB2      HIS  82  -8.960   0.652  -1.764
  601    HB3  HIS  82           HB3      HIS  82  -8.381   1.335  -3.274
  602    HD1  HIS  82           HD1      HIS  82  -5.846   0.881  -3.111
  603    HD2  HIS  82           HD2      HIS  82  -7.484   2.686   0.320
  604    HE1  HIS  82           HE1      HIS  82  -3.881   1.460  -1.588
  605    H    GLU  83           H        GLU  83 -12.013   2.327  -1.673
  606    HA   GLU  83           HA       GLU  83 -12.770   2.295  -4.538
  607    HB2  GLU  83           HB2      GLU  83 -14.414   1.733  -2.042
  608    HB3  GLU  83           HB3      GLU  83 -15.067   1.803  -3.660
  609    HG2  GLU  83           HG2      GLU  83 -12.900  -0.142  -2.773
  610    HG3  GLU  83           HG3      GLU  83 -14.618  -0.506  -2.855
  611    H    TYR  84           H        TYR  84 -13.273   4.244  -1.607
  612    HA   TYR  84           HA       TYR  84 -14.634   6.289  -3.311
  613    HB2  TYR  84           HB2      TYR  84 -15.027   6.476  -0.399
  614    HB3  TYR  84           HB3      TYR  84 -16.095   6.815  -1.719
  615    HD1  TYR  84           HD2      TYR  84 -16.650   4.379  -3.105
  616    HD2  TYR  84           HD1      TYR  84 -15.795   4.940   1.080
  617    HE1  TYR  84           HE2      TYR  84 -17.903   2.296  -2.568
  618    HE2  TYR  84           HE1      TYR  84 -17.046   2.892   1.630
  619    HH   TYR  84           HH       TYR  84 -18.249   1.119   0.804
  620    H    GLN  85           H        GLN  85 -12.763   6.550  -0.198
  621    HA   GLN  85           HA       GLN  85 -12.270   9.360  -1.075
  622    HB2  GLN  85           HB2      GLN  85 -13.597  10.104   0.646
  623    HB3  GLN  85           HB3      GLN  85 -14.455   8.669   0.167
  624    HG2  GLN  85           HG2      GLN  85 -12.753   9.142   2.629
  625    HG3  GLN  85           HG3      GLN  85 -14.464   8.785   2.550
  626   HE21  GLN  85          HE22      GLN  85 -12.121   7.434   4.052
  627   HE22  GLN  85          HE21      GLN  85 -12.306   5.750   3.625
  628    HA   PRO  86           HA       PRO  86  -8.694   9.464   1.736
  629    HB2  PRO  86           HB2      PRO  86  -8.247  12.131   1.902
  630    HB3  PRO  86           HB3      PRO  86  -7.977  11.234   0.374
  631    HG2  PRO  86           HG2      PRO  86 -10.400  12.885   1.165
  632    HG3  PRO  86           HG3      PRO  86  -9.496  12.916  -0.377
  633    HD2  PRO  86           HD2      PRO  86 -11.811  11.468   0.009
  634    HD3  PRO  86           HD3      PRO  86 -10.526  10.960  -1.127
  635    H    ARG  87           H        ARG  87  -8.483   9.720   4.042
  636    HA   ARG  87           HA       ARG  87 -10.974  10.568   5.445
  637    HB2  ARG  87           HB2      ARG  87 -10.848   8.569   6.759
  638    HB3  ARG  87           HB3      ARG  87 -10.684   8.134   5.063
  639    HG2  ARG  87           HG2      ARG  87  -8.145   8.081   5.432
  640    HG3  ARG  87           HG3      ARG  87  -8.494   8.219   7.160
  641    HD2  ARG  87           HD2      ARG  87  -9.941   6.172   6.993
  642    HD3  ARG  87           HD3      ARG  87  -9.486   6.012   5.301
  643    HE   ARG  87           HE       ARG  87  -7.845   5.416   7.657
  644   HH11  ARG  87          HH11      ARG  87  -7.617   6.012   4.144
  645   HH12  ARG  87          HH12      ARG  87  -6.022   5.328   4.075
  646   HH21  ARG  87          HH22      ARG  87  -5.799   4.607   7.448
  647   HH22  ARG  87          HH21      ARG  87  -5.032   4.504   5.880
  648    HA   PRO  88           HA       PRO  88  -8.381  12.862   8.293
  649    HB2  PRO  88           HB2      PRO  88  -9.984  13.135  10.464
  650    HB3  PRO  88           HB3      PRO  88 -10.369  13.890   8.887
  651    HG2  PRO  88           HG2      PRO  88 -11.447  11.273   9.980
  652    HG3  PRO  88           HG3      PRO  88 -12.365  12.647   9.286
  653    HD2  PRO  88           HD2      PRO  88 -11.644  10.447   7.848
  654    HD3  PRO  88           HD3      PRO  88 -11.723  12.074   7.107
  655    H    VAL  89           H        VAL  89  -6.788  11.152   8.371
  656    HA   VAL  89           HA       VAL  89  -7.004   8.744   9.720
  657    HB   VAL  89           HB       VAL  89  -4.750  10.368   8.685
  658   HG11  VAL  89          HG11      VAL  89  -4.208   7.984  10.482
  659   HG12  VAL  89          HG12      VAL  89  -3.051   8.649   9.314
  660   HG13  VAL  89          HG13      VAL  89  -3.597   9.634  10.672
  661   HG21  VAL  89          HG21      VAL  89  -5.680   7.482   8.289
  662   HG22  VAL  89          HG22      VAL  89  -6.165   8.867   7.296
  663   HG23  VAL  89          HG23      VAL  89  -4.476   8.343   7.302
  664    H    GLU  90           H        GLU  90  -6.133  11.793  11.298
  665    HA   GLU  90           HA       GLU  90  -5.362  10.583  13.802
  666    HB2  GLU  90           HB2      GLU  90  -5.619  12.766  14.778
  667    HB3  GLU  90           HB3      GLU  90  -4.776  12.866  13.234
  668    HG2  GLU  90           HG2      GLU  90  -6.919  13.649  12.166
  669    HG3  GLU  90           HG3      GLU  90  -7.671  13.638  13.768
  670    H    VAL  91           H        VAL  91  -8.537  11.486  12.505
  671    HA   VAL  91           HA       VAL  91  -9.989  10.864  14.974
  672    HB   VAL  91           HB       VAL  91 -10.985  11.213  12.135
  673   HG11  VAL  91          HG11      VAL  91 -12.584  11.011  14.720
  674   HG12  VAL  91          HG12      VAL  91 -13.241  11.541  13.155
  675   HG13  VAL  91          HG13      VAL  91 -12.647   9.889  13.344
  676   HG21  VAL  91          HG21      VAL  91 -10.022  13.285  13.049
  677   HG22  VAL  91          HG22      VAL  91 -11.777  13.423  12.929
  678   HG23  VAL  91          HG23      VAL  91 -11.022  13.123  14.507
  679    H    ILE  92           H        ILE  92  -9.102   9.088  11.988
  680    HA   ILE  92           HA       ILE  92 -10.585   6.680  12.585
  681    HB   ILE  92           HB       ILE  92  -7.928   6.853  11.102
  682   HG12  ILE  92          HG12      ILE  92  -9.091   8.379   9.828
  683   HG13  ILE  92          HG13      ILE  92  -9.438   6.888   9.023
  684   HG21  ILE  92          HG21      ILE  92  -8.721   4.557  11.663
  685   HG22  ILE  92          HG22      ILE  92 -10.225   4.887  10.777
  686   HG23  ILE  92          HG23      ILE  92  -8.671   4.867   9.927
  687   HD11  ILE  92          HD11      ILE  92 -11.434   8.138   9.003
  688   HD12  ILE  92          HD12      ILE  92 -11.699   6.912  10.262
  689   HD13  ILE  92          HD13      ILE  92 -11.303   8.581  10.710
  690    H    ILE  93           H        ILE  93  -7.214   7.614  13.394
  691    HA   ILE  93           HA       ILE  93  -6.640   5.310  15.059
  692    HB   ILE  93           HB       ILE  93  -5.474   8.127  14.939
  693   HG12  ILE  93          HG12      ILE  93  -4.318   5.443  14.019
  694   HG13  ILE  93          HG13      ILE  93  -5.168   6.554  12.957
  695   HG21  ILE  93          HG21      ILE  93  -4.472   5.747  16.564
  696   HG22  ILE  93          HG22      ILE  93  -3.575   7.260  16.310
  697   HG23  ILE  93          HG23      ILE  93  -5.075   7.290  17.208
  698   HD11  ILE  93          HD11      ILE  93  -3.479   8.327  13.445
  699   HD12  ILE  93          HD12      ILE  93  -2.533   7.113  14.360
  700   HD13  ILE  93          HD13      ILE  93  -2.818   6.900  12.638
  701    H    SER  94           H        SER  94  -8.110   8.489  15.829
  702    HA   SER  94           HA       SER  94  -8.236   8.062  18.647
  703    HB2  SER  94           HB2      SER  94 -10.107   9.714  16.906
  704    HB3  SER  94           HB3      SER  94  -9.968   9.802  18.665
  705    HG   SER  94           HG       SER  94  -7.982  10.465  16.721
  706    H    SER  95           H        SER  95 -10.610   7.215  16.069
  707    HA   SER  95           HA       SER  95 -12.630   6.135  17.763
  708    HB2  SER  95           HB2      SER  95 -12.830   6.596  15.290
  709    HB3  SER  95           HB3      SER  95 -11.850   5.153  14.986
  710    HG   SER  95           HG       SER  95 -14.111   4.634  14.930
  711    H    ALA  96           H        ALA  96  -9.761   4.547  16.270
  712    HA   ALA  96           HA       ALA  96 -10.247   1.959  17.382
  713    HB1  ALA  96           HB1      ALA  96  -7.600   3.242  16.560
  714    HB2  ALA  96           HB2      ALA  96  -8.001   1.510  16.557
  715    HB3  ALA  96           HB3      ALA  96  -8.789   2.596  15.416
  716    H    LYS  97           H        LYS  97  -8.197   4.651  18.608
  717    HA   LYS  97           HA       LYS  97  -7.393   3.346  21.033
  718    HB2  LYS  97           HB2      LYS  97  -7.621   6.272  20.218
  719    HB3  LYS  97           HB3      LYS  97  -7.013   5.760  21.793
  720    HG2  LYS  97           HG2      LYS  97  -5.212   4.453  20.725
  721    HG3  LYS  97           HG3      LYS  97  -5.769   4.967  19.125
  722    HD2  LYS  97           HD2      LYS  97  -5.369   7.336  19.730
  723    HD3  LYS  97           HD3      LYS  97  -4.867   6.839  21.362
  724    HE2  LYS  97           HE2      LYS  97  -2.994   5.519  20.373
  725    HE3  LYS  97           HE3      LYS  97  -3.469   6.065  18.755
  726    HZ1  LYS  97           HZ1      LYS  97  -1.686   7.439  19.648
  727    HZ2  LYS  97           HZ2      LYS  97  -3.027   8.360  19.486
  728    HZ3  LYS  97           HZ3      LYS  97  -2.566   7.836  20.967
  729    H    GLU  98           H        GLU  98 -10.412   5.108  20.299
  730    HA   GLU  98           HA       GLU  98 -11.333   4.997  23.049
  731    HB2  GLU  98           HB2      GLU  98 -12.660   5.672  20.410
  732    HB3  GLU  98           HB3      GLU  98 -13.578   5.541  21.912
  733    HG2  GLU  98           HG2      GLU  98 -12.136   7.250  22.977
  734    HG3  GLU  98           HG3      GLU  98 -11.231   7.446  21.480
  735    H    MET  99           H        MET  99 -11.746   2.892  20.207
  736    HA   MET  99           HA       MET  99 -13.892   1.383  21.418
  737    HB2  MET  99           HB2      MET  99 -12.258   1.003  18.888
  738    HB3  MET  99           HB3      MET  99 -13.431  -0.200  19.447
  739    HG2  MET  99           HG2      MET  99 -15.175   1.626  19.570
  740    HG3  MET  99           HG3      MET  99 -14.019   2.704  18.807
  741    HE1  MET  99           HE1      MET  99 -14.910  -1.185  18.013
  742    HE2  MET  99           HE2      MET  99 -16.386  -0.317  18.520
  743    HE3  MET  99           HE3      MET  99 -16.200  -0.870  16.838
  744    H    VAL 100           H        VAL 100 -10.436   0.891  21.712
  745    HA   VAL 100           HA       VAL 100 -10.504  -1.850  22.468
  746    HB   VAL 100           HB       VAL 100  -8.396  -0.959  22.304
  747   HG11  VAL 100          HG11      VAL 100  -8.693   1.384  22.778
  748   HG12  VAL 100          HG12      VAL 100  -9.000   1.049  24.503
  749   HG13  VAL 100          HG13      VAL 100  -7.403   0.739  23.795
  750   HG21  VAL 100          HG21      VAL 100  -8.782  -1.472  25.280
  751   HG22  VAL 100          HG22      VAL 100  -8.670  -2.722  24.019
  752   HG23  VAL 100          HG23      VAL 100  -7.295  -1.662  24.349
  753    H    GLY 101           H        GLY 101 -11.396  -2.959  23.955
  754    HA2  GLY 101           HA2      GLY 101 -12.241  -3.480  26.126
  755    HA3  GLY 101           HA3      GLY 101 -12.524  -1.756  26.452
  756    H    GLN 102           H        GLN 102 -13.718  -2.075  23.382
  757    HA   GLN 102           HA       GLN 102 -16.481  -2.522  24.240
  758    HB2  GLN 102           HB2      GLN 102 -15.217  -2.112  21.489
  759    HB3  GLN 102           HB3      GLN 102 -16.938  -2.322  21.763
  760    HG2  GLN 102           HG2      GLN 102 -15.293  -0.024  22.913
  761    HG3  GLN 102           HG3      GLN 102 -16.294   0.057  21.469
  762   HE21  GLN 102          HE22      GLN 102 -16.305   0.322  24.947
  763   HE22  GLN 102          HE21      GLN 102 -18.044   0.466  25.116
  764    H    LYS 103           H        LYS 103 -17.728  -4.201  23.794
  765    HA   LYS 103           HA       LYS 103 -16.567  -6.690  22.623
  766    HB2  LYS 103           HB2      LYS 103 -18.468  -6.384  24.989
  767    HB3  LYS 103           HB3      LYS 103 -18.088  -7.926  24.216
  768    HG2  LYS 103           HG2      LYS 103 -15.707  -7.689  24.807
  769    HG3  LYS 103           HG3      LYS 103 -16.035  -6.121  25.571
  770    HD2  LYS 103           HD2      LYS 103 -17.595  -7.215  27.165
  771    HD3  LYS 103           HD3      LYS 103 -17.239  -8.793  26.425
  772    HE2  LYS 103           HE2      LYS 103 -14.855  -8.551  27.023
  773    HE3  LYS 103           HE3      LYS 103 -15.160  -6.949  27.700
  774    HZ1  LYS 103           HZ1      LYS 103 -15.087  -8.646  29.422
  775    HZ2  LYS 103           HZ2      LYS 103 -16.587  -8.000  29.368
  776    HZ3  LYS 103           HZ3      LYS 103 -16.312  -9.488  28.739
  777    H    MET 104           H        MET 104 -18.049  -8.106  21.576
  778    HA   MET 104           HA       MET 104 -20.719  -7.046  20.776
  779    HB2  MET 104           HB2      MET 104 -18.544  -7.817  18.790
  780    HB3  MET 104           HB3      MET 104 -20.241  -7.532  18.382
  781    HG2  MET 104           HG2      MET 104 -20.024  -5.205  19.305
  782    HG3  MET 104           HG3      MET 104 -18.289  -5.461  19.453
  783    HE1  MET 104           HE1      MET 104 -16.592  -5.541  17.427
  784    HE2  MET 104           HE2      MET 104 -17.406  -7.069  17.027
  785    HE3  MET 104           HE3      MET 104 -17.128  -5.873  15.761
  786    H    LYS 105           H        LYS 105 -22.035  -8.674  19.660
  787    HA   LYS 105           HA       LYS 105 -21.191 -11.525  20.116
  788    HB2  LYS 105           HB2      LYS 105 -22.470 -10.629  22.081
  789    HB3  LYS 105           HB3      LYS 105 -23.783 -10.170  21.010
  790    HG2  LYS 105           HG2      LYS 105 -24.454 -12.169  22.092
  791    HG3  LYS 105           HG3      LYS 105 -24.130 -12.588  20.423
  792    HD2  LYS 105           HD2      LYS 105 -23.227 -14.357  21.725
  793    HD3  LYS 105           HD3      LYS 105 -21.836 -13.437  21.167
  794    HE2  LYS 105           HE2      LYS 105 -21.382 -13.884  23.442
  795    HE3  LYS 105           HE3      LYS 105 -21.907 -12.199  23.433
  796    HZ1  LYS 105           HZ1      LYS 105 -23.580 -14.553  24.176
  797    HZ2  LYS 105           HZ2      LYS 105 -22.961 -13.454  25.214
  798    HZ3  LYS 105           HZ3      LYS 105 -24.129 -13.003  24.162
  799    H    TYR 106           H        TYR 106 -23.394  -9.281  18.430
  800    HA   TYR 106           HA       TYR 106 -24.833 -11.320  17.036
  801    HB2  TYR 106           HB2      TYR 106 -25.742  -9.139  17.719
  802    HB3  TYR 106           HB3      TYR 106 -24.670  -8.322  16.588
  803    HD1  TYR 106           HD1      TYR 106 -27.378 -10.935  16.725
  804    HD2  TYR 106           HD2      TYR 106 -25.435  -7.869  14.394
  805    HE1  TYR 106           HE1      TYR 106 -29.067 -11.240  14.926
  806    HE2  TYR 106           HE2      TYR 106 -27.112  -8.172  12.588
  807    HH   TYR 106           HH       TYR 106 -28.990  -9.306  11.903
  808    H    SER 107           H        SER 107 -25.042 -11.720  14.833
  809    HA   SER 107           HA       SER 107 -24.590 -11.952  12.638
  810    HB2  SER 107           HB2      SER 107 -24.081  -9.457  12.812
  811    HB3  SER 107           HB3      SER 107 -22.367  -9.908  12.750
  812    HG   SER 107           HG       SER 107 -23.599  -9.463  10.689
  813    H    ILE 108           H        ILE 108 -22.632 -12.305  11.023
  814    HA   ILE 108           HA       ILE 108 -21.173 -14.634  12.105
  815    HB   ILE 108           HB       ILE 108 -20.517 -15.047   9.739
  816   HG12  ILE 108          HG12      ILE 108 -22.315 -12.668   9.059
  817   HG13  ILE 108          HG13      ILE 108 -20.559 -12.686   8.933
  818   HG21  ILE 108          HG21      ILE 108 -22.556 -16.012  10.811
  819   HG22  ILE 108          HG22      ILE 108 -23.521 -14.690  10.115
  820   HG23  ILE 108          HG23      ILE 108 -22.694 -15.859   9.063
  821   HD11  ILE 108          HD11      ILE 108 -21.477 -13.040   6.740
  822   HD12  ILE 108          HD12      ILE 108 -20.732 -14.560   7.268
  823   HD13  ILE 108          HD13      ILE 108 -22.501 -14.373   7.304
  824    H    VAL 109           H        VAL 109 -18.908 -14.893  12.041
  825    HA   VAL 109           HA       VAL 109 -17.478 -12.816  13.103
  826    HB   VAL 109           HB       VAL 109 -16.790 -15.088  13.345
  827   HG11  VAL 109          HG11      VAL 109 -15.569 -16.368  11.666
  828   HG12  VAL 109          HG12      VAL 109 -17.161 -15.941  11.031
  829   HG13  VAL 109          HG13      VAL 109 -15.729 -15.048  10.492
  830   HG21  VAL 109          HG21      VAL 109 -14.402 -14.835  13.329
  831   HG22  VAL 109          HG22      VAL 109 -14.463 -13.593  12.072
  832   HG23  VAL 109          HG23      VAL 109 -15.104 -13.243  13.685
  833    H    SER 110           H        SER 110 -17.591 -13.508   9.584
  834    HA   SER 110           HA       SER 110 -15.478 -11.709   8.810
  835    HB2  SER 110           HB2      SER 110 -16.634 -11.848   6.575
  836    HB3  SER 110           HB3      SER 110 -16.195 -13.405   7.289
  837    HG   SER 110           HG       SER 110 -18.340 -13.406   6.454
  838    H    ARG 111           H        ARG 111 -19.069 -11.233   8.768
  839    HA   ARG 111           HA       ARG 111 -18.823  -8.428   8.248
  840    HB2  ARG 111           HB2      ARG 111 -20.888  -9.747   7.766
  841    HB3  ARG 111           HB3      ARG 111 -21.190  -9.846   9.501
  842    HG2  ARG 111           HG2      ARG 111 -22.541  -8.062   8.634
  843    HG3  ARG 111           HG3      ARG 111 -21.255  -7.283   9.566
  844    HD2  ARG 111           HD2      ARG 111 -20.047  -6.705   7.529
  845    HD3  ARG 111           HD3      ARG 111 -21.232  -7.584   6.535
  846    HE   ARG 111           HE       ARG 111 -22.717  -5.779   8.048
  847   HH11  ARG 111          HH22      ARG 111 -20.166  -5.463   5.589
  848   HH12  ARG 111          HH21      ARG 111 -20.815  -3.954   5.006
  849   HH21  ARG 111          HH11      ARG 111 -23.453  -3.815   7.267
  850   HH22  ARG 111          HH12      ARG 111 -22.638  -3.026   5.958
  851    H    ASN 112           H        ASN 112 -19.031 -10.225  11.299
  852    HA   ASN 112           HA       ASN 112 -19.324  -8.022  13.074
  853    HB2  ASN 112           HB2      ASN 112 -19.508 -10.468  13.610
  854    HB3  ASN 112           HB3      ASN 112 -17.749 -10.587  13.538
  855   HD21  ASN 112          HD22      ASN 112 -20.514  -9.532  15.464
  856   HD22  ASN 112          HD21      ASN 112 -19.555  -9.012  16.838
  857    H    CYS 113           H        CYS 113 -16.317  -9.347  11.649
  858    HA   CYS 113           HA       CYS 113 -14.619  -7.320  12.884
  859    HB2  CYS 113           HB2      CYS 113 -14.129  -9.816  12.067
  860    HB3  CYS 113           HB3      CYS 113 -13.783  -9.032  10.519
  861    HG   CYS 113           HG       CYS 113 -12.483  -8.595  13.562
  862    H    GLU 114           H        GLU 114 -15.976  -7.742   9.558
  863    HA   GLU 114           HA       GLU 114 -14.859  -5.421   8.377
  864    HB2  GLU 114           HB2      GLU 114 -16.000  -7.277   7.199
  865    HB3  GLU 114           HB3      GLU 114 -17.551  -6.714   7.841
  866    HG2  GLU 114           HG2      GLU 114 -17.273  -4.575   6.613
  867    HG3  GLU 114           HG3      GLU 114 -15.704  -5.126   6.012
  868    H    HIS 115           H        HIS 115 -17.969  -5.761  10.152
  869    HA   HIS 115           HA       HIS 115 -18.840  -3.085   9.992
  870    HB2  HIS 115           HB2      HIS 115 -20.182  -5.054  10.660
  871    HB3  HIS 115           HB3      HIS 115 -19.296  -5.136  12.185
  872    HD1  HIS 115           HD1      HIS 115 -21.157  -2.158  10.425
  873    HD2  HIS 115           HD2      HIS 115 -20.963  -4.371  14.004
  874    HE1  HIS 115           HE1      HIS 115 -22.849  -1.112  12.004
  875    H    PHE 116           H        PHE 116 -16.828  -4.733  12.509
  876    HA   PHE 116           HA       PHE 116 -16.183  -2.542  14.145
  877    HB2  PHE 116           HB2      PHE 116 -15.499  -4.506  15.052
  878    HB3  PHE 116           HB3      PHE 116 -15.008  -5.213  13.544
  879    HD1  PHE 116           HD1      PHE 116 -13.994  -2.740  16.147
  880    HD2  PHE 116           HD2      PHE 116 -12.676  -5.210  12.851
  881    HE1  PHE 116           HE1      PHE 116 -11.633  -2.248  16.714
  882    HE2  PHE 116           HE2      PHE 116 -10.323  -4.720  13.437
  883    HZ   PHE 116           HZ       PHE 116  -9.790  -3.243  15.363
  884    H    VAL 117           H        VAL 117 -14.198  -3.663  11.259
  885    HA   VAL 117           HA       VAL 117 -12.575  -1.295  11.536
  886    HB   VAL 117           HB       VAL 117 -11.881  -1.545   9.146
  887   HG11  VAL 117          HG11      VAL 117 -10.383  -3.343   9.669
  888   HG12  VAL 117          HG12      VAL 117 -10.593  -2.309  11.080
  889   HG13  VAL 117          HG13      VAL 117 -11.428  -3.880  11.013
  890   HG21  VAL 117          HG21      VAL 117 -13.784  -2.824   8.246
  891   HG22  VAL 117          HG22      VAL 117 -12.234  -3.634   7.989
  892   HG23  VAL 117          HG23      VAL 117 -13.310  -4.200   9.273
  893    H    THR 118           H        THR 118 -15.686  -1.666   9.861
  894    HA   THR 118           HA       THR 118 -15.556   0.941   8.547
  895    HB   THR 118           HB       THR 118 -18.144  -0.296   9.461
  896    HG1  THR 118           HG1      THR 118 -16.892  -1.946   8.358
  897   HG21  THR 118          HG21      THR 118 -18.211   1.920   8.348
  898   HG22  THR 118          HG22      THR 118 -17.319   1.248   6.958
  899   HG23  THR 118          HG23      THR 118 -18.944   0.666   7.335
  900    H    GLN 119           H        GLN 119 -16.717  -0.039  11.851
  901    HA   GLN 119           HA       GLN 119 -17.317   2.610  12.703
  902    HB2  GLN 119           HB2      GLN 119 -16.577   0.014  14.071
  903    HB3  GLN 119           HB3      GLN 119 -16.460   1.516  14.970
  904    HG2  GLN 119           HG2      GLN 119 -18.547   0.677  15.449
  905    HG3  GLN 119           HG3      GLN 119 -18.816   2.053  14.372
  906   HE21  GLN 119          HE22      GLN 119 -19.310  -1.342  14.903
  907   HE22  GLN 119          HE21      GLN 119 -20.297  -1.586  13.466
  908    H    LEU 120           H        LEU 120 -14.122   1.068  12.281
  909    HA   LEU 120           HA       LEU 120 -12.737   3.277  13.594
  910    HB2  LEU 120           HB2      LEU 120 -11.569   1.237  11.663
  911    HB3  LEU 120           HB3      LEU 120 -10.698   2.329  12.730
  912    HG   LEU 120           HG       LEU 120 -12.424  -0.049  13.542
  913   HD11  LEU 120          HD11      LEU 120 -10.321  -0.888  14.463
  914   HD12  LEU 120          HD12      LEU 120 -10.129  -0.518  12.741
  915   HD13  LEU 120          HD13      LEU 120  -9.491   0.593  13.971
  916   HD21  LEU 120          HD21      LEU 120 -11.170   2.090  15.282
  917   HD22  LEU 120          HD22      LEU 120 -12.882   1.635  15.215
  918   HD23  LEU 120          HD23      LEU 120 -11.701   0.504  15.900
  919    H    ARG 121           H        ARG 121 -13.040   2.417  10.097
  920    HA   ARG 121           HA       ARG 121 -12.168   5.088   9.309
  921    HB2  ARG 121           HB2      ARG 121 -12.391   4.390   7.025
  922    HB3  ARG 121           HB3      ARG 121 -11.435   3.263   7.981
  923    HG2  ARG 121           HG2      ARG 121 -13.252   1.672   8.051
  924    HG3  ARG 121           HG3      ARG 121 -14.369   2.778   7.251
  925    HD2  ARG 121           HD2      ARG 121 -13.119   2.628   5.189
  926    HD3  ARG 121           HD3      ARG 121 -11.744   1.885   6.039
  927    HE   ARG 121           HE       ARG 121 -14.298   0.404   6.090
  928   HH11  ARG 121          HH21      ARG 121 -11.166   0.712   4.452
  929   HH12  ARG 121          HH22      ARG 121 -11.134  -1.001   4.036
  930   HH21  ARG 121          HH11      ARG 121 -14.183  -1.774   5.494
  931   HH22  ARG 121          HH12      ARG 121 -12.831  -2.347   4.566
  932    H    TYR 122           H        TYR 122 -14.924   4.435  10.701
  933    HA   TYR 122           HA       TYR 122 -17.051   5.231   9.220
  934    HB2  TYR 122           HB2      TYR 122 -16.834   4.462  11.669
  935    HB3  TYR 122           HB3      TYR 122 -16.583   6.131  12.098
  936    HD1  TYR 122           HD2      TYR 122 -18.961   3.642  10.708
  937    HD2  TYR 122           HD1      TYR 122 -18.494   7.670  12.185
  938    HE1  TYR 122           HE2      TYR 122 -21.432   3.882  10.817
  939    HE2  TYR 122           HE1      TYR 122 -20.968   7.913  12.296
  940    HH   TYR 122           HH       TYR 122 -23.188   5.260  11.352
  941    H    GLY 123           H        GLY 123 -14.485   7.226  10.491
  942    HA2  GLY 123           HA2      GLY 123 -15.464   9.810  10.724
  943    HA3  GLY 123           HA3      GLY 123 -13.794   9.384  10.271
  944    H    LYS 124           H        LYS 124 -14.814   8.165   7.687
  945    HA   LYS 124           HA       LYS 124 -16.014  10.475   6.272
  946    HB2  LYS 124           HB2      LYS 124 -13.189   9.989   6.298
  947    HB3  LYS 124           HB3      LYS 124 -13.724   9.528   4.712
  948    HG2  LYS 124           HG2      LYS 124 -14.325  12.217   6.029
  949    HG3  LYS 124           HG3      LYS 124 -12.982  11.908   4.932
  950    HD2  LYS 124           HD2      LYS 124 -14.606  11.251   3.144
  951    HD3  LYS 124           HD3      LYS 124 -15.945  11.726   4.202
  952    HE2  LYS 124           HE2      LYS 124 -13.672  13.565   3.302
  953    HE3  LYS 124           HE3      LYS 124 -15.231  13.446   2.484
  954    HZ1  LYS 124           HZ1      LYS 124 -15.201  15.306   4.019
  955    HZ2  LYS 124           HZ2      LYS 124 -16.304  14.219   4.528
  956    HZ3  LYS 124           HZ3      LYS 124 -14.861  14.348   5.294
  957    H    SER 125           H        SER 125 -15.811   7.100   6.573
  958    HA   SER 125           HA       SER 125 -16.421   6.270   3.869
  959    HB2  SER 125           HB2      SER 125 -16.983   4.834   6.490
  960    HB3  SER 125           HB3      SER 125 -17.049   4.137   4.857
  961    HG   SER 125           HG       SER 125 -14.794   5.144   6.254
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  -3.496  -5.230 -11.896
    2    H2   MET   1           H2       MET   1  -2.487  -6.476 -11.589
    3    H3   MET   1           H3       MET   1  -3.860  -6.308 -10.716
    4    HA   MET   1           HA       MET   1  -1.558  -4.455 -10.687
    5    HB2  MET   1           HB2      MET   1  -4.138  -4.387  -9.052
    6    HB3  MET   1           HB3      MET   1  -2.698  -3.426  -8.693
    7    HG2  MET   1           HG2      MET   1  -2.849  -2.355 -10.931
    8    HG3  MET   1           HG3      MET   1  -4.343  -3.249 -11.242
    9    HE1  MET   1           HE1      MET   1  -5.588   0.440 -10.800
   10    HE2  MET   1           HE2      MET   1  -4.066  -0.098 -11.542
   11    HE3  MET   1           HE3      MET   1  -5.580  -0.985 -11.863
   12    H    ALA   2           H        ALA   2  -0.280  -4.463  -8.729
   13    HA   ALA   2           HA       ALA   2   0.173  -7.134  -7.652
   14    HB1  ALA   2           HB1      ALA   2   1.467  -4.442  -7.032
   15    HB2  ALA   2           HB2      ALA   2   2.085  -6.034  -6.549
   16    HB3  ALA   2           HB3      ALA   2   2.014  -5.605  -8.269
   17    H    SER   3           H        SER   3   0.416  -7.552  -5.315
   18    HA   SER   3           HA       SER   3  -1.937  -6.884  -3.827
   19    HB2  SER   3           HB2      SER   3   0.648  -8.191  -2.897
   20    HB3  SER   3           HB3      SER   3  -0.889  -8.199  -2.016
   21    HG   SER   3           HG       SER   3  -0.563 -10.118  -3.262
   22    HA   PRO   4           HA       PRO   4  -0.672  -3.297  -1.424
   23    HB2  PRO   4           HB2      PRO   4  -1.844  -4.602   0.994
   24    HB3  PRO   4           HB3      PRO   4  -2.202  -2.998   0.285
   25    HG2  PRO   4           HG2      PRO   4  -3.929  -5.100   0.009
   26    HG3  PRO   4           HG3      PRO   4  -3.659  -3.926  -1.320
   27    HD2  PRO   4           HD2      PRO   4  -2.469  -6.685  -0.963
   28    HD3  PRO   4           HD3      PRO   4  -3.144  -5.904  -2.430
   29    H    HIS   5           H        HIS   5   0.906  -2.627   0.122
   30    HA   HIS   5           HA       HIS   5   3.093  -4.420   0.309
   31    HB2  HIS   5           HB2      HIS   5   4.274  -2.579   1.382
   32    HB3  HIS   5           HB3      HIS   5   3.375  -2.047  -0.028
   33    HD1  HIS   5           HD1      HIS   5   0.758  -2.040   2.479
   34    HD2  HIS   5           HD2      HIS   5   4.182   0.264   1.673
   35    HE1  HIS   5           HE1      HIS   5   0.354   0.251   3.523
   36    H    GLN   6           H        GLN   6   4.138  -5.530   1.921
   37    HA   GLN   6           HA       GLN   6   2.757  -5.849   4.539
   38    HB2  GLN   6           HB2      GLN   6   3.427  -7.857   3.207
   39    HB3  GLN   6           HB3      GLN   6   5.122  -7.389   3.391
   40    HG2  GLN   6           HG2      GLN   6   4.856  -7.537   5.891
   41    HG3  GLN   6           HG3      GLN   6   3.169  -7.997   5.673
   42   HE21  GLN   6          HE22      GLN   6   2.748 -10.102   4.526
   43   HE22  GLN   6          HE21      GLN   6   3.997 -11.350   4.576
   44    H    GLU   7           H        GLU   7   3.270  -3.523   4.871
   45    HA   GLU   7           HA       GLU   7   5.813  -3.330   6.420
   46    HB2  GLU   7           HB2      GLU   7   6.039  -2.062   4.296
   47    HB3  GLU   7           HB3      GLU   7   4.602  -1.126   4.711
   48    HG2  GLU   7           HG2      GLU   7   5.811  -0.393   6.840
   49    HG3  GLU   7           HG3      GLU   7   7.249  -1.212   6.230
   50    HA   PRO   8           HA       PRO   8   2.423  -2.103   9.247
   51    HB2  PRO   8           HB2      PRO   8   3.528  -2.812  11.600
   52    HB3  PRO   8           HB3      PRO   8   2.896  -4.028  10.451
   53    HG2  PRO   8           HG2      PRO   8   5.775  -3.152  10.843
   54    HG3  PRO   8           HG3      PRO   8   5.131  -4.818  10.723
   55    HD2  PRO   8           HD2      PRO   8   6.219  -3.418   8.601
   56    HD3  PRO   8           HD3      PRO   8   4.952  -4.664   8.387
   57    H    LYS   9           H        LYS   9   2.112  -0.251  10.422
   58    HA   LYS   9           HA       LYS   9   4.100   1.426  11.550
   59    HB2  LYS   9           HB2      LYS   9   4.077   3.333  10.027
   60    HB3  LYS   9           HB3      LYS   9   4.788   1.935   9.287
   61    HG2  LYS   9           HG2      LYS   9   1.930   2.872   8.781
   62    HG3  LYS   9           HG3      LYS   9   3.343   3.366   7.834
   63    HD2  LYS   9           HD2      LYS   9   3.782   0.840   7.510
   64    HD3  LYS   9           HD3      LYS   9   2.135   0.615   8.096
   65    HE2  LYS   9           HE2      LYS   9   2.056   0.508   5.742
   66    HE3  LYS   9           HE3      LYS   9   1.278   2.022   6.219
   67    HZ1  LYS   9           HZ1      LYS   9   2.861   2.152   4.299
   68    HZ2  LYS   9           HZ2      LYS   9   3.223   3.217   5.505
   69    HZ3  LYS   9           HZ3      LYS   9   4.112   1.848   5.302
   70    HA   PRO  10           HA       PRO  10   0.677   2.593  13.791
   71    HB2  PRO  10           HB2      PRO  10   1.241   5.069  14.834
   72    HB3  PRO  10           HB3      PRO  10   2.139   3.574  15.262
   73    HG2  PRO  10           HG2      PRO  10   2.897   5.658  13.190
   74    HG3  PRO  10           HG3      PRO  10   3.920   4.965  14.493
   75    HD2  PRO  10           HD2      PRO  10   4.003   3.995  11.954
   76    HD3  PRO  10           HD3      PRO  10   4.103   2.879  13.344
   77    H    GLY  11           H        GLY  11  -1.305   3.239  13.736
   78    HA2  GLY  11           HA2      GLY  11  -3.213   4.462  13.193
   79    HA3  GLY  11           HA3      GLY  11  -2.261   5.512  12.116
   80    H    ASP  12           H        ASP  12  -1.259   2.697  11.014
   81    HA   ASP  12           HA       ASP  12  -3.212   2.741   8.817
   82    HB2  ASP  12           HB2      ASP  12  -0.448   1.541   9.116
   83    HB3  ASP  12           HB3      ASP  12  -1.505   1.223   7.762
   84    H    LEU  13           H        LEU  13  -3.841   0.811   7.726
   85    HA   LEU  13           HA       LEU  13  -5.152  -1.016   9.652
   86    HB2  LEU  13           HB2      LEU  13  -5.800  -0.306   6.760
   87    HB3  LEU  13           HB3      LEU  13  -6.787  -1.317   7.816
   88    HG   LEU  13           HG       LEU  13  -6.150   1.604   8.284
   89   HD11  LEU  13          HD11      LEU  13  -7.622   1.199   6.293
   90   HD12  LEU  13          HD12      LEU  13  -8.749   0.308   7.328
   91   HD13  LEU  13          HD13      LEU  13  -8.454   2.042   7.613
   92   HD21  LEU  13          HD21      LEU  13  -7.944   1.436  10.028
   93   HD22  LEU  13          HD22      LEU  13  -8.120  -0.297   9.673
   94   HD23  LEU  13          HD23      LEU  13  -6.627   0.302  10.384
   95    H    ILE  14           H        ILE  14  -4.431  -2.903   9.886
   96    HA   ILE  14           HA       ILE  14  -2.795  -4.241   7.777
   97    HB   ILE  14           HB       ILE  14  -3.170  -5.326  10.565
   98   HG12  ILE  14          HG12      ILE  14  -1.156  -3.117   9.960
   99   HG13  ILE  14          HG13      ILE  14  -2.576  -2.965  10.999
  100   HG21  ILE  14          HG21      ILE  14  -0.981  -6.317  10.135
  101   HG22  ILE  14          HG22      ILE  14  -2.010  -6.612   8.738
  102   HG23  ILE  14          HG23      ILE  14  -0.779  -5.332   8.671
  103   HD11  ILE  14          HD11      ILE  14  -1.650  -4.815  12.436
  104   HD12  ILE  14          HD12      ILE  14  -0.127  -4.651  11.510
  105   HD13  ILE  14          HD13      ILE  14  -0.760  -3.287  12.442
  106    H    GLU  15           H        GLU  15  -3.593  -5.906   6.654
  107    HA   GLU  15           HA       GLU  15  -6.118  -7.282   7.460
  108    HB2  GLU  15           HB2      GLU  15  -4.510  -7.295   4.876
  109    HB3  GLU  15           HB3      GLU  15  -5.952  -8.277   5.179
  110    HG2  GLU  15           HG2      GLU  15  -7.281  -6.176   5.434
  111    HG3  GLU  15           HG3      GLU  15  -5.826  -5.240   5.035
  112    H    ILE  16           H        ILE  16  -5.780  -9.145   8.567
  113    HA   ILE  16           HA       ILE  16  -3.190 -10.652   8.259
  114    HB   ILE  16           HB       ILE  16  -4.860 -10.153  10.769
  115   HG12  ILE  16          HG12      ILE  16  -2.075  -9.073  10.119
  116   HG13  ILE  16          HG13      ILE  16  -3.553  -8.129   9.969
  117   HG21  ILE  16          HG21      ILE  16  -2.950 -11.293  11.943
  118   HG22  ILE  16          HG22      ILE  16  -3.789 -12.361  10.839
  119   HG23  ILE  16          HG23      ILE  16  -2.227 -11.652  10.366
  120   HD11  ILE  16          HD11      ILE  16  -4.000  -8.415  12.389
  121   HD12  ILE  16          HD12      ILE  16  -2.421  -9.218  12.563
  122   HD13  ILE  16          HD13      ILE  16  -2.504  -7.536  12.020
  123    H    PHE  17           H        PHE  17  -3.411 -12.793   7.783
  124    HA   PHE  17           HA       PHE  17  -6.056 -14.012   7.532
  125    HB2  PHE  17           HB2      PHE  17  -4.196 -14.293   5.905
  126    HB3  PHE  17           HB3      PHE  17  -3.268 -15.153   7.117
  127    HD1  PHE  17           HD1      PHE  17  -6.532 -15.224   5.258
  128    HD2  PHE  17           HD2      PHE  17  -3.507 -17.535   7.285
  129    HE1  PHE  17           HE1      PHE  17  -7.573 -17.318   4.427
  130    HE2  PHE  17           HE2      PHE  17  -4.548 -19.626   6.442
  131    HZ   PHE  17           HZ       PHE  17  -6.565 -19.519   4.990
  132    H    ARG  18           H        ARG  18  -6.375 -13.490   9.895
  133    HA   ARG  18           HA       ARG  18  -4.969 -14.532  12.017
  134    HB2  ARG  18           HB2      ARG  18  -6.607 -12.774  12.198
  135    HB3  ARG  18           HB3      ARG  18  -7.926 -13.861  11.780
  136    HG2  ARG  18           HG2      ARG  18  -7.860 -13.308  14.187
  137    HG3  ARG  18           HG3      ARG  18  -7.702 -15.043  13.906
  138    HD2  ARG  18           HD2      ARG  18  -5.267 -14.895  14.235
  139    HD3  ARG  18           HD3      ARG  18  -5.399 -13.136  14.480
  140    HE   ARG  18           HE       ARG  18  -7.130 -14.277  16.346
  141   HH11  ARG  18          HH11      ARG  18  -3.668 -14.461  15.702
  142   HH12  ARG  18          HH12      ARG  18  -3.253 -14.736  17.362
  143   HH21  ARG  18          HH21      ARG  18  -6.560 -14.743  18.488
  144   HH22  ARG  18          HH22      ARG  18  -4.895 -14.995  18.910
  145    H    LEU  19           H        LEU  19  -7.677 -16.223  10.423
  146    HA   LEU  19           HA       LEU  19  -7.092 -18.684  11.972
  147    HB2  LEU  19           HB2      LEU  19  -9.391 -18.635  12.973
  148    HB3  LEU  19           HB3      LEU  19  -8.266 -17.440  13.557
  149    HG   LEU  19           HG       LEU  19  -9.368 -15.689  12.169
  150   HD11  LEU  19          HD11      LEU  19 -10.409 -16.991  10.384
  151   HD12  LEU  19          HD12      LEU  19 -11.421 -17.865  11.562
  152   HD13  LEU  19          HD13      LEU  19 -11.658 -16.131  11.279
  153   HD21  LEU  19          HD21      LEU  19  -9.939 -16.058  14.546
  154   HD22  LEU  19          HD22      LEU  19 -11.328 -15.482  13.615
  155   HD23  LEU  19          HD23      LEU  19 -11.209 -17.200  14.066
  156    H    GLY  20           H        GLY  20  -7.040 -18.222   9.103
  157    HA2  GLY  20           HA2      GLY  20  -7.647 -19.620   7.284
  158    HA3  GLY  20           HA3      GLY  20  -9.085 -20.185   8.163
  159    H    TYR  21           H        TYR  21  -9.081 -16.962   8.619
  160    HA   TYR  21           HA       TYR  21 -10.069 -16.038   6.017
  161    HB2  TYR  21           HB2      TYR  21 -12.092 -16.813   7.227
  162    HB3  TYR  21           HB3      TYR  21 -11.673 -15.788   8.599
  163    HD1  TYR  21           HD2      TYR  21 -12.129 -15.489   4.861
  164    HD2  TYR  21           HD1      TYR  21 -12.761 -13.695   8.736
  165    HE1  TYR  21           HE2      TYR  21 -13.152 -13.502   3.774
  166    HE2  TYR  21           HE1      TYR  21 -13.811 -11.726   7.655
  167    HH   TYR  21           HH       TYR  21 -14.031 -11.417   4.086
  168    H    GLU  22           H        GLU  22 -10.236 -13.628   5.986
  169    HA   GLU  22           HA       GLU  22  -7.804 -12.549   7.253
  170    HB2  GLU  22           HB2      GLU  22  -9.494 -11.518   4.957
  171    HB3  GLU  22           HB3      GLU  22  -7.983 -10.796   5.550
  172    HG2  GLU  22           HG2      GLU  22  -6.779 -12.906   5.061
  173    HG3  GLU  22           HG3      GLU  22  -8.264 -13.618   4.408
  174    H    HIS  23           H        HIS  23  -7.862 -11.234   8.939
  175    HA   HIS  23           HA       HIS  23 -10.347  -9.681   9.615
  176    HB2  HIS  23           HB2      HIS  23  -8.265 -11.068  11.355
  177    HB3  HIS  23           HB3      HIS  23  -9.268  -9.760  11.965
  178    HD1  HIS  23           HD1      HIS  23 -11.239 -10.679  13.305
  179    HD2  HIS  23           HD2      HIS  23 -10.161 -13.067  10.007
  180    HE1  HIS  23           HE1      HIS  23 -12.913 -12.587  13.214
  181    H    TRP  24           H        TRP  24 -10.073  -7.557  10.382
  182    HA   TRP  24           HA       TRP  24  -7.647  -6.165   9.501
  183    HB2  TRP  24           HB2      TRP  24 -10.271  -5.223  10.690
  184    HB3  TRP  24           HB3      TRP  24  -8.923  -4.168  10.311
  185    HD1  TRP  24           HD1      TRP  24 -11.963  -5.502   8.842
  186    HE1  TRP  24           HE1      TRP  24 -12.179  -4.833   6.392
  187    HE3  TRP  24           HE3      TRP  24  -7.185  -3.870   8.052
  188    HZ2  TRP  24           HZ2      TRP  24 -10.501  -3.662   4.341
  189    HZ3  TRP  24           HZ3      TRP  24  -6.536  -2.918   5.859
  190    HH2  TRP  24           HH2      TRP  24  -8.175  -2.805   3.995
  191    H    ALA  25           H        ALA  25  -6.325  -4.919  10.751
  192    HA   ALA  25           HA       ALA  25  -6.871  -4.558  13.625
  193    HB1  ALA  25           HB1      ALA  25  -5.392  -6.554  13.459
  194    HB2  ALA  25           HB2      ALA  25  -4.203  -5.585  12.561
  195    HB3  ALA  25           HB3      ALA  25  -4.581  -5.187  14.248
  196    H    LEU  26           H        LEU  26  -5.939  -2.704  14.527
  197    HA   LEU  26           HA       LEU  26  -4.799  -0.658  12.646
  198    HB2  LEU  26           HB2      LEU  26  -7.077  -0.302  13.815
  199    HB3  LEU  26           HB3      LEU  26  -6.197  -0.241  15.327
  200    HG   LEU  26           HG       LEU  26  -6.685   1.963  14.737
  201   HD11  LEU  26          HD11      LEU  26  -4.665   3.157  14.593
  202   HD12  LEU  26          HD12      LEU  26  -4.301   1.672  15.490
  203   HD13  LEU  26          HD13      LEU  26  -3.818   1.835  13.782
  204   HD21  LEU  26          HD21      LEU  26  -6.177   3.008  12.570
  205   HD22  LEU  26          HD22      LEU  26  -5.495   1.492  11.976
  206   HD23  LEU  26          HD23      LEU  26  -7.233   1.597  12.372
  207    H    TYR  27           H        TYR  27  -2.645  -0.251  12.986
  208    HA   TYR  27           HA       TYR  27  -1.230  -1.273  15.347
  209    HB2  TYR  27           HB2      TYR  27  -0.440  -1.074  12.918
  210    HB3  TYR  27           HB3      TYR  27  -0.242   0.624  13.222
  211    HD1  TYR  27           HD2      TYR  27   1.482   1.294  15.137
  212    HD2  TYR  27           HD1      TYR  27   1.228  -2.656  13.433
  213    HE1  TYR  27           HE2      TYR  27   3.901   0.983  15.524
  214    HE2  TYR  27           HE1      TYR  27   3.623  -3.029  13.968
  215    HH   TYR  27           HH       TYR  27   5.727  -0.462  15.298
  216    H    ILE  28           H        ILE  28  -1.696  -0.327  17.284
  217    HA   ILE  28           HA       ILE  28  -2.097   2.638  17.429
  218    HB   ILE  28           HB       ILE  28  -2.859   2.211  19.743
  219   HG12  ILE  28          HG12      ILE  28  -2.999  -0.758  19.139
  220   HG13  ILE  28          HG13      ILE  28  -1.577  -0.074  19.917
  221   HG21  ILE  28          HG21      ILE  28  -5.043   1.442  19.121
  222   HG22  ILE  28          HG22      ILE  28  -4.391   2.373  17.778
  223   HG23  ILE  28          HG23      ILE  28  -4.413   0.600  17.682
  224   HD11  ILE  28          HD11      ILE  28  -2.880   0.778  21.776
  225   HD12  ILE  28          HD12      ILE  28  -4.390   0.217  21.032
  226   HD13  ILE  28          HD13      ILE  28  -3.168  -0.955  21.560
  227    H    GLY  29           H        GLY  29   0.377   0.354  18.255
  228    HA2  GLY  29           HA2      GLY  29   2.107   2.507  19.265
  229    HA3  GLY  29           HA3      GLY  29   1.725   1.235  20.428
  230    H    ASP  30           H        ASP  30   4.342   1.445  19.753
  231    HA   ASP  30           HA       ASP  30   5.095   0.126  17.364
  232    HB2  ASP  30           HB2      ASP  30   6.544   1.663  18.599
  233    HB3  ASP  30           HB3      ASP  30   6.691   0.500  19.920
  234    H    GLY  31           H        GLY  31   4.155  -1.793  17.006
  235    HA2  GLY  31           HA2      GLY  31   4.156  -4.124  16.935
  236    HA3  GLY  31           HA3      GLY  31   4.976  -4.200  18.521
  237    H    TYR  32           H        TYR  32   2.333  -2.081  18.706
  238    HA   TYR  32           HA       TYR  32   0.598  -4.219  19.899
  239    HB2  TYR  32           HB2      TYR  32   1.051  -1.333  20.693
  240    HB3  TYR  32           HB3      TYR  32  -0.347  -2.253  21.224
  241    HD1  TYR  32           HD1      TYR  32   3.342  -1.981  21.489
  242    HD2  TYR  32           HD2      TYR  32  -0.183  -4.076  22.817
  243    HE1  TYR  32           HE1      TYR  32   4.651  -3.007  23.344
  244    HE2  TYR  32           HE2      TYR  32   1.112  -5.095  24.678
  245    HH   TYR  32           HH       TYR  32   3.157  -5.242  25.713
  246    H    VAL  33           H        VAL  33  -1.538  -4.353  19.389
  247    HA   VAL  33           HA       VAL  33  -2.588  -2.513  17.302
  248    HB   VAL  33           HB       VAL  33  -3.425  -4.455  16.016
  249   HG11  VAL  33          HG11      VAL  33  -1.304  -5.096  14.941
  250   HG12  VAL  33          HG12      VAL  33  -1.413  -3.361  15.220
  251   HG13  VAL  33          HG13      VAL  33  -0.394  -4.368  16.277
  252   HG21  VAL  33          HG21      VAL  33  -3.329  -6.229  17.776
  253   HG22  VAL  33          HG22      VAL  33  -2.497  -6.686  16.286
  254   HG23  VAL  33          HG23      VAL  33  -1.556  -6.183  17.690
  255    H    ILE  34           H        ILE  34  -4.784  -2.473  16.958
  256    HA   ILE  34           HA       ILE  34  -6.579  -3.739  19.031
  257    HB   ILE  34           HB       ILE  34  -6.913  -1.222  17.348
  258   HG12  ILE  34          HG12      ILE  34  -5.502  -0.997  19.394
  259   HG13  ILE  34          HG13      ILE  34  -6.923   0.032  19.351
  260   HG21  ILE  34          HG21      ILE  34  -9.085  -2.238  17.371
  261   HG22  ILE  34          HG22      ILE  34  -8.966  -2.623  19.101
  262   HG23  ILE  34          HG23      ILE  34  -9.113  -0.931  18.558
  263   HD11  ILE  34          HD11      ILE  34  -8.084  -1.457  20.939
  264   HD12  ILE  34          HD12      ILE  34  -6.656  -2.518  20.980
  265   HD13  ILE  34          HD13      ILE  34  -6.561  -0.850  21.593
  266    H    HIS  35           H        HIS  35  -8.125  -5.201  18.212
  267    HA   HIS  35           HA       HIS  35  -8.548  -5.397  15.283
  268    HB2  HIS  35           HB2      HIS  35  -7.684  -7.656  15.153
  269    HB3  HIS  35           HB3      HIS  35  -6.412  -6.607  15.757
  270    HD1  HIS  35           HD1      HIS  35  -8.241  -9.743  16.661
  271    HD2  HIS  35           HD2      HIS  35  -5.989  -6.741  18.562
  272    HE1  HIS  35           HE1      HIS  35  -7.585 -10.672  18.938
  273    H    LEU  36           H        LEU  36 -10.231  -6.995  14.704
  274    HA   LEU  36           HA       LEU  36 -12.245  -7.259  16.888
  275    HB2  LEU  36           HB2      LEU  36 -12.801  -6.003  14.776
  276    HB3  LEU  36           HB3      LEU  36 -12.549  -7.496  13.871
  277    HG   LEU  36           HG       LEU  36 -14.383  -8.517  15.430
  278   HD11  LEU  36          HD11      LEU  36 -16.000  -6.888  16.358
  279   HD12  LEU  36          HD12      LEU  36 -14.411  -6.659  17.101
  280   HD13  LEU  36          HD13      LEU  36 -14.967  -5.544  15.839
  281   HD21  LEU  36          HD21      LEU  36 -16.171  -7.712  14.000
  282   HD22  LEU  36          HD22      LEU  36 -15.174  -6.338  13.473
  283   HD23  LEU  36          HD23      LEU  36 -14.724  -8.010  13.038
  284    H    ALA  37           H        ALA  37 -12.551  -9.143  17.811
  285    HA   ALA  37           HA       ALA  37 -11.708 -11.710  16.635
  286    HB1  ALA  37           HB1      ALA  37 -12.434 -12.581  18.863
  287    HB2  ALA  37           HB2      ALA  37 -11.304 -11.214  19.017
  288    HB3  ALA  37           HB3      ALA  37 -13.037 -10.966  19.285
  289    HA   PRO  38           HA       PRO  38 -15.473 -12.391  14.621
  290    HB2  PRO  38           HB2      PRO  38 -15.721 -15.117  14.453
  291    HB3  PRO  38           HB3      PRO  38 -14.403 -14.219  13.656
  292    HG2  PRO  38           HG2      PRO  38 -14.338 -15.579  16.370
  293    HG3  PRO  38           HG3      PRO  38 -13.192 -15.796  15.015
  294    HD2  PRO  38           HD2      PRO  38 -12.647 -14.069  17.030
  295    HD3  PRO  38           HD3      PRO  38 -12.268 -13.619  15.339
  296    HA   PRO  39           HA       PRO  39 -18.939 -13.425  17.389
  297    HB2  PRO  39           HB2      PRO  39 -20.988 -13.621  15.601
  298    HB3  PRO  39           HB3      PRO  39 -20.207 -12.057  15.977
  299    HG2  PRO  39           HG2      PRO  39 -19.705 -13.879  13.614
  300    HG3  PRO  39           HG3      PRO  39 -19.934 -12.099  13.626
  301    HD2  PRO  39           HD2      PRO  39 -17.453 -13.315  13.586
  302    HD3  PRO  39           HD3      PRO  39 -17.744 -11.723  14.350
  303    H    SER  40           H        SER  40 -17.934 -15.514  14.675
  304    HA   SER  40           HA       SER  40 -19.655 -17.742  15.367
  305    HB2  SER  40           HB2      SER  40 -18.181 -18.933  13.684
  306    HB3  SER  40           HB3      SER  40 -19.089 -17.535  13.091
  307    HG   SER  40           HG       SER  40 -16.863 -17.587  12.411
  308    H    GLU  41           H        GLU  41 -19.010 -19.804  16.126
  309    HA   GLU  41           HA       GLU  41 -16.992 -19.700  18.278
  310    HB2  GLU  41           HB2      GLU  41 -19.168 -21.684  17.528
  311    HB3  GLU  41           HB3      GLU  41 -17.994 -21.962  18.825
  312    HG2  GLU  41           HG2      GLU  41 -18.739 -20.014  20.041
  313    HG3  GLU  41           HG3      GLU  41 -19.773 -19.491  18.709
  314    H    TYR  42           H        TYR  42 -15.108 -19.621  17.051
  315    HA   TYR  42           HA       TYR  42 -14.385 -21.203  14.936
  316    HB2  TYR  42           HB2      TYR  42 -13.254 -19.162  15.638
  317    HB3  TYR  42           HB3      TYR  42 -12.595 -19.974  17.049
  318    HD1  TYR  42           HD2      TYR  42 -12.783 -20.579  13.325
  319    HD2  TYR  42           HD1      TYR  42 -10.325 -20.569  16.868
  320    HE1  TYR  42           HE2      TYR  42 -10.844 -21.330  11.975
  321    HE2  TYR  42           HE1      TYR  42  -8.363 -21.282  15.510
  322    HH   TYR  42           HH       TYR  42  -8.613 -21.825  11.972
  323    HA   PRO  43           HA       PRO  43 -12.408 -24.603  17.859
  324    HB2  PRO  43           HB2      PRO  43 -14.765 -24.645  19.752
  325    HB3  PRO  43           HB3      PRO  43 -13.066 -25.141  20.053
  326    HG2  PRO  43           HG2      PRO  43 -13.924 -22.733  20.917
  327    HG3  PRO  43           HG3      PRO  43 -12.340 -22.842  20.074
  328    HD2  PRO  43           HD2      PRO  43 -15.025 -22.033  18.927
  329    HD3  PRO  43           HD3      PRO  43 -13.442 -21.232  18.720
  330    H    GLY  44           H        GLY  44 -15.785 -24.113  16.900
  331    HA2  GLY  44           HA2      GLY  44 -16.897 -25.234  15.251
  332    HA3  GLY  44           HA3      GLY  44 -15.658 -26.493  15.224
  333    H    ALA  45           H        ALA  45 -18.766 -26.298  15.386
  334    HA   ALA  45           HA       ALA  45 -19.626 -27.735  17.679
  335    HB1  ALA  45           HB1      ALA  45 -21.612 -28.254  16.275
  336    HB2  ALA  45           HB2      ALA  45 -21.146 -26.547  16.156
  337    HB3  ALA  45           HB3      ALA  45 -20.746 -27.674  14.840
  338    H    GLY  46           H        GLY  46 -19.745 -29.877  18.173
  339    HA2  GLY  46           HA2      GLY  46 -19.439 -32.183  18.069
  340    HA3  GLY  46           HA3      GLY  46 -19.007 -32.051  16.345
  341    H    SER  47           H        SER  47 -16.869 -30.479  16.237
  342    HA   SER  47           HA       SER  47 -14.668 -32.084  17.088
  343    HB2  SER  47           HB2      SER  47 -14.729 -30.489  15.154
  344    HB3  SER  47           HB3      SER  47 -14.635 -29.144  16.307
  345    HG   SER  47           HG       SER  47 -12.567 -29.736  15.492
  346    H    SER  48           H        SER  48 -16.005 -29.095  18.535
  347    HA   SER  48           HA       SER  48 -14.211 -29.335  20.897
  348    HB2  SER  48           HB2      SER  48 -15.128 -27.191  21.571
  349    HB3  SER  48           HB3      SER  48 -14.503 -27.138  19.924
  350    HG   SER  48           HG       SER  48 -16.605 -27.166  19.132
  351    H    SER  49           H        SER  49 -16.441 -31.305  20.264
  352    HA   SER  49           HA       SER  49 -17.765 -32.734  21.400
  353    HB2  SER  49           HB2      SER  49 -17.041 -31.231  23.939
  354    HB3  SER  49           HB3      SER  49 -17.812 -32.812  23.825
  355    HG   SER  49           HG       SER  49 -15.217 -32.140  22.853
  356    H    VAL  50           H        VAL  50 -18.376 -29.357  22.319
  357    HA   VAL  50           HA       VAL  50 -21.240 -29.745  22.743
  358    HB   VAL  50           HB       VAL  50 -20.077 -27.860  23.765
  359   HG11  VAL  50          HG11      VAL  50 -19.442 -25.856  22.522
  360   HG12  VAL  50          HG12      VAL  50 -18.491 -27.243  21.978
  361   HG13  VAL  50          HG13      VAL  50 -19.829 -26.634  20.981
  362   HG21  VAL  50          HG21      VAL  50 -21.781 -26.176  23.392
  363   HG22  VAL  50          HG22      VAL  50 -22.226 -26.896  21.834
  364   HG23  VAL  50          HG23      VAL  50 -22.532 -27.779  23.348
  365    H    PHE  51           H        PHE  51 -22.899 -29.655  21.307
  366    HA   PHE  51           HA       PHE  51 -22.311 -29.073  18.431
  367    HB2  PHE  51           HB2      PHE  51 -23.653 -31.019  17.847
  368    HB3  PHE  51           HB3      PHE  51 -22.320 -31.479  18.883
  369    HD1  PHE  51           HD1      PHE  51 -26.004 -31.085  18.679
  370    HD2  PHE  51           HD2      PHE  51 -22.703 -32.335  21.159
  371    HE1  PHE  51           HE1      PHE  51 -27.590 -32.177  20.244
  372    HE2  PHE  51           HE2      PHE  51 -24.291 -33.429  22.720
  373    HZ   PHE  51           HZ       PHE  51 -26.740 -33.351  22.262
  374    H    SER  52           H        SER  52 -24.279 -28.108  21.024
  375    HA   SER  52           HA       SER  52 -26.799 -27.787  19.653
  376    HB2  SER  52           HB2      SER  52 -27.324 -26.377  21.664
  377    HB3  SER  52           HB3      SER  52 -26.744 -28.007  22.036
  378    HG   SER  52           HG       SER  52 -25.727 -26.366  23.319
  379    H    VAL  53           H        VAL  53 -24.118 -25.567  20.319
  380    HA   VAL  53           HA       VAL  53 -23.317 -23.746  19.258
  381    HB   VAL  53           HB       VAL  53 -25.670 -23.753  17.315
  382   HG11  VAL  53          HG11      VAL  53 -24.574 -21.563  17.431
  383   HG12  VAL  53          HG12      VAL  53 -22.984 -22.333  17.213
  384   HG13  VAL  53          HG13      VAL  53 -24.194 -22.373  15.912
  385   HG21  VAL  53          HG21      VAL  53 -24.338 -25.845  17.068
  386   HG22  VAL  53          HG22      VAL  53 -24.036 -24.754  15.719
  387   HG23  VAL  53          HG23      VAL  53 -22.843 -24.888  17.025
  388    H    LEU  54           H        LEU  54 -23.314 -21.723  19.990
  389    HA   LEU  54           HA       LEU  54 -25.760 -20.655  21.347
  390    HB2  LEU  54           HB2      LEU  54 -23.650 -21.204  22.619
  391    HB3  LEU  54           HB3      LEU  54 -22.801 -19.971  21.707
  392    HG   LEU  54           HG       LEU  54 -25.214 -19.432  23.507
  393   HD11  LEU  54          HD11      LEU  54 -23.561 -18.664  25.180
  394   HD12  LEU  54          HD12      LEU  54 -23.313 -20.373  24.787
  395   HD13  LEU  54          HD13      LEU  54 -22.233 -19.140  24.100
  396   HD21  LEU  54          HD21      LEU  54 -23.192 -17.576  22.174
  397   HD22  LEU  54          HD22      LEU  54 -24.963 -17.546  22.024
  398   HD23  LEU  54          HD23      LEU  54 -24.216 -17.078  23.540
  399    H    SER  55           H        SER  55 -23.022 -19.766  19.276
  400    HA   SER  55           HA       SER  55 -22.602 -18.114  17.763
  401    HB2  SER  55           HB2      SER  55 -25.593 -17.578  17.698
  402    HB3  SER  55           HB3      SER  55 -24.375 -16.854  16.645
  403    HG   SER  55           HG       SER  55 -25.405 -18.717  15.727
  404    H    ASN  56           H        ASN  56 -21.325 -17.007  19.223
  405    HA   ASN  56           HA       ASN  56 -22.358 -15.029  21.085
  406    HB2  ASN  56           HB2      ASN  56 -19.555 -15.717  20.113
  407    HB3  ASN  56           HB3      ASN  56 -19.890 -14.537  21.367
  408   HD21  ASN  56          HD22      ASN  56 -19.246 -17.843  20.838
  409   HD22  ASN  56          HD21      ASN  56 -19.749 -18.418  22.416
  410    H    SER  57           H        SER  57 -21.282 -12.767  21.070
  411    HA   SER  57           HA       SER  57 -21.714 -11.411  18.462
  412    HB2  SER  57           HB2      SER  57 -20.942 -10.261  21.167
  413    HB3  SER  57           HB3      SER  57 -21.438  -9.351  19.730
  414    HG   SER  57           HG       SER  57 -23.153  -9.702  21.284
  415    H    ALA  58           H        ALA  58 -20.066  -9.946  17.582
  416    HA   ALA  58           HA       ALA  58 -17.308 -10.921  17.644
  417    HB1  ALA  58           HB1      ALA  58 -16.931  -9.061  16.108
  418    HB2  ALA  58           HB2      ALA  58 -18.450  -9.845  15.639
  419    HB3  ALA  58           HB3      ALA  58 -18.480  -8.309  16.547
  420    H    GLU  59           H        GLU  59 -15.493  -9.639  18.478
  421    HA   GLU  59           HA       GLU  59 -16.201  -7.617  20.554
  422    HB2  GLU  59           HB2      GLU  59 -16.059  -9.867  21.619
  423    HB3  GLU  59           HB3      GLU  59 -14.376  -9.996  21.075
  424    HG2  GLU  59           HG2      GLU  59 -13.762  -8.037  22.426
  425    HG3  GLU  59           HG3      GLU  59 -15.452  -7.777  22.868
  426    H    VAL  60           H        VAL  60 -14.877  -5.895  20.543
  427    HA   VAL  60           HA       VAL  60 -12.450  -5.893  18.833
  428    HB   VAL  60           HB       VAL  60 -13.662  -3.634  20.467
  429   HG11  VAL  60          HG11      VAL  60 -11.250  -3.266  20.107
  430   HG12  VAL  60          HG12      VAL  60 -11.418  -3.665  18.393
  431   HG13  VAL  60          HG13      VAL  60 -12.162  -2.190  19.051
  432   HG21  VAL  60          HG21      VAL  60 -14.385  -2.743  18.265
  433   HG22  VAL  60          HG22      VAL  60 -13.769  -4.207  17.472
  434   HG23  VAL  60          HG23      VAL  60 -15.141  -4.307  18.598
  435    H    LYS  61           H        LYS  61 -10.478  -6.246  19.586
  436    HA   LYS  61           HA       LYS  61  -9.927  -6.239  22.535
  437    HB2  LYS  61           HB2      LYS  61  -9.170  -8.347  20.451
  438    HB3  LYS  61           HB3      LYS  61  -8.704  -8.369  22.158
  439    HG2  LYS  61           HG2      LYS  61 -11.196  -8.398  22.731
  440    HG3  LYS  61           HG3      LYS  61 -11.521  -8.563  21.000
  441    HD2  LYS  61           HD2      LYS  61 -11.658 -10.729  21.838
  442    HD3  LYS  61           HD3      LYS  61 -10.087 -10.662  21.016
  443    HE2  LYS  61           HE2      LYS  61  -8.935 -10.354  23.179
  444    HE3  LYS  61           HE3      LYS  61 -10.490 -10.259  24.020
  445    HZ1  LYS  61           HZ1      LYS  61  -9.495 -12.664  22.585
  446    HZ2  LYS  61           HZ2      LYS  61  -9.503 -12.465  24.207
  447    HZ3  LYS  61           HZ3      LYS  61 -10.918 -12.558  23.394
  448    H    ARG  62           H        ARG  62  -7.708  -6.153  23.159
  449    HA   ARG  62           HA       ARG  62  -5.879  -4.741  21.257
  450    HB2  ARG  62           HB2      ARG  62  -6.679  -3.410  23.213
  451    HB3  ARG  62           HB3      ARG  62  -5.965  -4.595  24.303
  452    HG2  ARG  62           HG2      ARG  62  -3.703  -4.079  23.405
  453    HG3  ARG  62           HG3      ARG  62  -4.423  -3.003  22.201
  454    HD2  ARG  62           HD2      ARG  62  -3.500  -1.673  23.994
  455    HD3  ARG  62           HD3      ARG  62  -5.268  -1.538  24.025
  456    HE   ARG  62           HE       ARG  62  -4.293  -3.662  25.758
  457   HH11  ARG  62          HH11      ARG  62  -4.642  -0.134  25.703
  458   HH12  ARG  62          HH12      ARG  62  -4.707  -0.030  27.435
  459   HH21  ARG  62          HH21      ARG  62  -4.403  -3.454  27.978
  460   HH22  ARG  62          HH22      ARG  62  -4.560  -1.885  28.702
  461    H    GLU  63           H        GLU  63  -3.832  -5.552  20.967
  462    HA   GLU  63           HA       GLU  63  -2.706  -7.742  22.530
  463    HB2  GLU  63           HB2      GLU  63  -4.595  -8.818  21.266
  464    HB3  GLU  63           HB3      GLU  63  -3.870  -8.268  19.767
  465    HG2  GLU  63           HG2      GLU  63  -3.551 -10.655  20.241
  466    HG3  GLU  63           HG3      GLU  63  -2.030  -9.810  20.033
  467    H    ARG  64           H        ARG  64  -0.701  -8.635  21.327
  468    HA   ARG  64           HA       ARG  64   0.765  -6.434  19.996
  469    HB2  ARG  64           HB2      ARG  64   1.692  -9.227  20.719
  470    HB3  ARG  64           HB3      ARG  64   2.709  -7.910  20.119
  471    HG2  ARG  64           HG2      ARG  64   2.038  -6.564  22.152
  472    HG3  ARG  64           HG3      ARG  64   1.258  -8.013  22.794
  473    HD2  ARG  64           HD2      ARG  64   4.210  -7.651  22.148
  474    HD3  ARG  64           HD3      ARG  64   3.480  -7.801  23.754
  475    HE   ARG  64           HE       ARG  64   2.791 -10.119  22.232
  476   HH11  ARG  64          HH11      ARG  64   5.722  -8.791  23.742
  477   HH12  ARG  64          HH12      ARG  64   6.460 -10.363  23.827
  478   HH21  ARG  64          HH21      ARG  64   3.737 -11.971  22.317
  479   HH22  ARG  64          HH22      ARG  64   5.329 -12.206  23.030
  480    H    LEU  65           H        LEU  65   1.568  -6.515  17.889
  481    HA   LEU  65           HA       LEU  65   0.003  -7.699  15.867
  482    HB2  LEU  65           HB2      LEU  65   1.489  -5.752  15.546
  483    HB3  LEU  65           HB3      LEU  65   2.916  -6.755  15.796
  484    HG   LEU  65           HG       LEU  65   2.417  -8.027  13.728
  485   HD11  LEU  65          HD11      LEU  65   0.101  -6.074  13.417
  486   HD12  LEU  65          HD12      LEU  65   0.666  -7.188  12.154
  487   HD13  LEU  65          HD13      LEU  65  -0.053  -7.821  13.641
  488   HD21  LEU  65          HD21      LEU  65   2.407  -5.007  13.295
  489   HD22  LEU  65          HD22      LEU  65   3.845  -5.998  13.638
  490   HD23  LEU  65          HD23      LEU  65   2.947  -6.238  12.133
  491    H    GLU  66           H        GLU  66   3.220  -8.855  17.024
  492    HA   GLU  66           HA       GLU  66   3.353 -11.165  15.459
  493    HB2  GLU  66           HB2      GLU  66   5.026 -11.970  16.997
  494    HB3  GLU  66           HB3      GLU  66   5.229 -10.244  16.727
  495    HG2  GLU  66           HG2      GLU  66   4.074  -9.813  18.938
  496    HG3  GLU  66           HG3      GLU  66   4.015 -11.559  19.199
  497    H    ASP  67           H        ASP  67   1.392 -10.732  18.393
  498    HA   ASP  67           HA       ASP  67   0.857 -13.627  18.639
  499    HB2  ASP  67           HB2      ASP  67  -0.047 -11.164  20.173
  500    HB3  ASP  67           HB3      ASP  67  -0.743 -12.764  20.443
  501    H    VAL  68           H        VAL  68  -0.797 -10.696  17.427
  502    HA   VAL  68           HA       VAL  68  -3.208 -12.094  16.694
  503    HB   VAL  68           HB       VAL  68  -2.130  -9.558  15.448
  504   HG11  VAL  68          HG11      VAL  68  -4.508  -9.157  14.801
  505   HG12  VAL  68          HG12      VAL  68  -3.885 -10.612  14.024
  506   HG13  VAL  68          HG13      VAL  68  -4.953 -10.758  15.433
  507   HG21  VAL  68          HG21      VAL  68  -4.043 -10.074  17.771
  508   HG22  VAL  68          HG22      VAL  68  -2.492  -9.207  17.820
  509   HG23  VAL  68          HG23      VAL  68  -3.872  -8.499  16.976
  510    H    VAL  69           H        VAL  69  -0.165 -11.485  14.951
  511    HA   VAL  69           HA       VAL  69  -1.138 -12.698  12.486
  512    HB   VAL  69           HB       VAL  69   1.612 -11.770  13.375
  513   HG11  VAL  69          HG11      VAL  69   0.694 -12.598  10.588
  514   HG12  VAL  69          HG12      VAL  69   2.233 -11.797  10.978
  515   HG13  VAL  69          HG13      VAL  69   1.924 -13.428  11.574
  516   HG21  VAL  69          HG21      VAL  69  -0.389 -10.520  11.439
  517   HG22  VAL  69          HG22      VAL  69  -0.234 -10.043  13.131
  518   HG23  VAL  69          HG23      VAL  69   1.133  -9.809  12.018
  519    H    GLY  70           H        GLY  70   1.136 -13.809  15.090
  520    HA2  GLY  70           HA2      GLY  70   1.962 -15.903  15.566
  521    HA3  GLY  70           HA3      GLY  70   0.601 -16.585  14.652
  522    H    GLY  71           H        GLY  71   1.346 -17.947  13.168
  523    HA2  GLY  71           HA2      GLY  71   3.817 -17.417  11.589
  524    HA3  GLY  71           HA3      GLY  71   2.883 -18.929  11.659
  525    H    CYS  72           H        CYS  72   0.638 -16.483  11.226
  526    HA   CYS  72           HA       CYS  72   0.139 -17.393   8.510
  527    HB2  CYS  72           HB2      CYS  72  -1.363 -15.426  10.305
  528    HB3  CYS  72           HB3      CYS  72  -1.956 -16.077   8.780
  529    HG   CYS  72           HG       CYS  72  -3.223 -17.336  10.554
  530    H    CYS  73           H        CYS  73  -0.630 -15.884   6.822
  531    HA   CYS  73           HA       CYS  73   1.350 -13.845   6.175
  532    HB2  CYS  73           HB2      CYS  73  -1.216 -14.718   4.749
  533    HB3  CYS  73           HB3      CYS  73   0.043 -13.694   4.054
  534    HG   CYS  73           HG       CYS  73   2.011 -15.444   4.284
  535    H    TYR  74           H        TYR  74   0.927 -11.662   5.640
  536    HA   TYR  74           HA       TYR  74  -1.590 -10.383   6.281
  537    HB2  TYR  74           HB2      TYR  74  -0.918  -9.017   8.101
  538    HB3  TYR  74           HB3      TYR  74  -0.549 -10.662   8.561
  539    HD1  TYR  74           HD1      TYR  74   1.910 -11.465   8.327
  540    HD2  TYR  74           HD2      TYR  74   0.733  -7.318   8.149
  541    HE1  TYR  74           HE1      TYR  74   4.248 -10.777   8.835
  542    HE2  TYR  74           HE2      TYR  74   3.056  -6.626   8.674
  543    HH   TYR  74           HH       TYR  74   5.207  -7.337   9.118
  544    H    ARG  75           H        ARG  75  -1.524  -7.997   5.984
  545    HA   ARG  75           HA       ARG  75   0.738  -6.727   4.774
  546    HB2  ARG  75           HB2      ARG  75  -0.030  -6.162   2.617
  547    HB3  ARG  75           HB3      ARG  75   0.023  -7.903   2.758
  548    HG2  ARG  75           HG2      ARG  75  -2.535  -6.247   3.007
  549    HG3  ARG  75           HG3      ARG  75  -1.932  -6.935   1.496
  550    HD2  ARG  75           HD2      ARG  75  -2.088  -9.185   2.365
  551    HD3  ARG  75           HD3      ARG  75  -2.600  -8.571   3.948
  552    HE   ARG  75           HE       ARG  75  -4.499  -7.456   2.387
  553   HH11  ARG  75          HH11      ARG  75  -3.472 -10.879   2.500
  554   HH12  ARG  75          HH12      ARG  75  -5.132 -11.413   2.332
  555   HH21  ARG  75          HH21      ARG  75  -6.517  -8.261   2.237
  556   HH22  ARG  75          HH22      ARG  75  -6.794  -9.992   2.207
  557    H    VAL  76           H        VAL  76   0.237  -4.333   4.227
  558    HA   VAL  76           HA       VAL  76  -2.082  -3.361   5.865
  559    HB   VAL  76           HB       VAL  76   0.534  -1.998   5.209
  560   HG11  VAL  76          HG11      VAL  76  -1.284  -0.290   4.999
  561   HG12  VAL  76          HG12      VAL  76  -1.875  -0.728   6.609
  562   HG13  VAL  76          HG13      VAL  76  -0.260  -0.023   6.406
  563   HG21  VAL  76          HG21      VAL  76   0.614  -1.846   7.736
  564   HG22  VAL  76          HG22      VAL  76  -0.875  -2.792   7.789
  565   HG23  VAL  76          HG23      VAL  76   0.612  -3.517   7.126
  566    H    ASN  77           H        ASN  77  -3.613  -2.145   4.967
  567    HA   ASN  77           HA       ASN  77  -3.483  -1.403   2.092
  568    HB2  ASN  77           HB2      ASN  77  -4.077  -3.799   2.229
  569    HB3  ASN  77           HB3      ASN  77  -5.401  -3.421   3.322
  570   HD21  ASN  77          HD22      ASN  77  -6.303  -4.790   1.413
  571   HD22  ASN  77          HD21      ASN  77  -7.072  -3.840   0.126
  572    H    ASN  78           H        ASN  78  -4.445   0.480   1.783
  573    HA   ASN  78           HA       ASN  78  -6.753   1.369   3.461
  574    HB2  ASN  78           HB2      ASN  78  -4.137   2.783   2.851
  575    HB3  ASN  78           HB3      ASN  78  -5.594   3.712   3.149
  576   HD21  ASN  78          HD22      ASN  78  -6.738   3.533   5.195
  577   HD22  ASN  78          HD21      ASN  78  -5.797   3.081   6.608
  578    H    SER  79           H        SER  79  -7.054   0.026   1.026
  579    HA   SER  79           HA       SER  79  -7.152   1.538  -1.316
  580    HB2  SER  79           HB2      SER  79  -8.819  -0.152  -2.066
  581    HB3  SER  79           HB3      SER  79  -7.378  -0.855  -1.315
  582    HG   SER  79           HG       SER  79  -9.396  -1.784  -0.588
  583    H    LEU  80           H        LEU  80  -9.604   1.530   1.251
  584    HA   LEU  80           HA       LEU  80 -11.562   3.038  -0.292
  585    HB2  LEU  80           HB2      LEU  80 -12.138   1.561   1.660
  586    HB3  LEU  80           HB3      LEU  80 -11.286   2.691   2.721
  587    HG   LEU  80           HG       LEU  80 -12.893   4.490   2.098
  588   HD11  LEU  80          HD11      LEU  80 -14.172   2.258   0.465
  589   HD12  LEU  80          HD12      LEU  80 -15.053   3.713   0.962
  590   HD13  LEU  80          HD13      LEU  80 -13.638   3.865  -0.091
  591   HD21  LEU  80          HD21      LEU  80 -13.256   3.141   4.113
  592   HD22  LEU  80          HD22      LEU  80 -14.792   3.619   3.384
  593   HD23  LEU  80          HD23      LEU  80 -14.196   1.956   3.174
  594    H    ASP  81           H        ASP  81  -9.092   3.905   2.138
  595    HA   ASP  81           HA       ASP  81  -9.731   6.677   2.315
  596    HB2  ASP  81           HB2      ASP  81  -7.078   5.253   2.760
  597    HB3  ASP  81           HB3      ASP  81  -7.487   6.872   3.343
  598    H    HIS  82           H        HIS  82  -7.550   4.819   0.241
  599    HA   HIS  82           HA       HIS  82  -6.335   6.888  -1.257
  600    HB2  HIS  82           HB2      HIS  82  -5.750   4.434  -1.185
  601    HB3  HIS  82           HB3      HIS  82  -7.173   4.101  -2.165
  602    HD1  HIS  82           HD1      HIS  82  -3.734   5.837  -2.462
  603    HD2  HIS  82           HD2      HIS  82  -6.939   4.410  -4.784
  604    HE1  HIS  82           HE1      HIS  82  -2.950   5.920  -4.883
  605    H    GLU  83           H        GLU  83  -9.731   6.009  -1.296
  606    HA   GLU  83           HA       GLU  83 -10.232   7.047  -3.980
  607    HB2  GLU  83           HB2      GLU  83 -12.201   6.461  -1.754
  608    HB3  GLU  83           HB3      GLU  83 -12.595   6.985  -3.382
  609    HG2  GLU  83           HG2      GLU  83 -11.328   4.961  -4.274
  610    HG3  GLU  83           HG3      GLU  83 -11.233   4.388  -2.605
  611    H    TYR  84           H        TYR  84  -9.719   8.558  -0.858
  612    HA   TYR  84           HA       TYR  84 -10.346  11.177  -2.046
  613    HB2  TYR  84           HB2      TYR  84 -11.923  11.389   0.249
  614    HB3  TYR  84           HB3      TYR  84 -12.440  11.347  -1.415
  615    HD1  TYR  84           HD1      TYR  84 -11.654   9.085   1.467
  616    HD2  TYR  84           HD2      TYR  84 -14.041   9.743  -2.051
  617    HE1  TYR  84           HE1      TYR  84 -13.076   7.140   2.084
  618    HE2  TYR  84           HE2      TYR  84 -15.491   7.817  -1.432
  619    HH   TYR  84           HH       TYR  84 -14.941   5.904   1.548
  620    H    GLN  85           H        GLN  85  -8.853   9.601   0.783
  621    HA   GLN  85           HA       GLN  85  -8.512  12.313   1.982
  622    HB2  GLN  85           HB2      GLN  85  -9.490  11.508   4.001
  623    HB3  GLN  85           HB3      GLN  85 -10.567  11.211   2.626
  624    HG2  GLN  85           HG2      GLN  85  -9.738   8.809   2.598
  625    HG3  GLN  85           HG3      GLN  85  -8.848   9.145   4.080
  626   HE21  GLN  85          HE22      GLN  85 -10.179   7.411   5.086
  627   HE22  GLN  85          HE21      GLN  85 -11.787   7.903   5.659
  628    HA   PRO  86           HA       PRO  86  -4.643  10.803   3.725
  629    HB2  PRO  86           HB2      PRO  86  -4.060  12.803   5.473
  630    HB3  PRO  86           HB3      PRO  86  -3.960  12.997   3.700
  631    HG2  PRO  86           HG2      PRO  86  -6.186  13.882   5.551
  632    HG3  PRO  86           HG3      PRO  86  -5.440  14.773   4.192
  633    HD2  PRO  86           HD2      PRO  86  -7.811  13.356   3.980
  634    HD3  PRO  86           HD3      PRO  86  -6.693  13.631   2.614
  635    H    ARG  87           H        ARG  87  -7.055  12.070   6.078
  636    HA   ARG  87           HA       ARG  87  -7.908  11.369   7.959
  637    HB2  ARG  87           HB2      ARG  87  -8.310   9.455   6.335
  638    HB3  ARG  87           HB3      ARG  87  -7.122   8.539   7.231
  639    HG2  ARG  87           HG2      ARG  87  -9.494   8.057   7.790
  640    HG3  ARG  87           HG3      ARG  87  -8.519   8.512   9.166
  641    HD2  ARG  87           HD2      ARG  87 -10.791   9.474   9.276
  642    HD3  ARG  87           HD3      ARG  87  -9.580  10.734   9.241
  643    HE   ARG  87           HE       ARG  87 -11.320   9.842   6.953
  644   HH11  ARG  87          HH11      ARG  87  -9.775  12.653   8.553
  645   HH12  ARG  87          HH12      ARG  87 -10.251  13.705   7.263
  646   HH21  ARG  87          HH21      ARG  87 -11.878  11.307   5.387
  647   HH22  ARG  87          HH22      ARG  87 -11.532  13.003   5.607
  648    HA   PRO  88           HA       PRO  88  -3.940  11.906  10.007
  649    HB2  PRO  88           HB2      PRO  88  -4.707  13.331  12.226
  650    HB3  PRO  88           HB3      PRO  88  -4.586  14.007  10.570
  651    HG2  PRO  88           HG2      PRO  88  -7.052  12.937  11.973
  652    HG3  PRO  88           HG3      PRO  88  -6.866  14.494  11.103
  653    HD2  PRO  88           HD2      PRO  88  -7.965  12.331   9.923
  654    HD3  PRO  88           HD3      PRO  88  -6.874  13.416   8.993
  655    H    VAL  89           H        VAL  89  -2.811  10.535  11.049
  656    HA   VAL  89           HA       VAL  89  -3.638   8.152  12.077
  657    HB   VAL  89           HB       VAL  89  -1.092   9.736  12.476
  658   HG11  VAL  89          HG11      VAL  89   0.060   7.626  13.217
  659   HG12  VAL  89          HG12      VAL  89  -0.989   8.371  14.422
  660   HG13  VAL  89          HG13      VAL  89  -1.550   6.940  13.542
  661   HG21  VAL  89          HG21      VAL  89  -0.178   8.088  10.877
  662   HG22  VAL  89          HG22      VAL  89  -1.747   7.254  10.829
  663   HG23  VAL  89          HG23      VAL  89  -1.598   8.904  10.209
  664    H    GLU  90           H        GLU  90  -2.766  10.942  14.199
  665    HA   GLU  90           HA       GLU  90  -3.006   9.475  16.610
  666    HB2  GLU  90           HB2      GLU  90  -2.984  11.600  17.754
  667    HB3  GLU  90           HB3      GLU  90  -1.799  11.564  16.449
  668    HG2  GLU  90           HG2      GLU  90  -3.378  12.924  15.028
  669    HG3  GLU  90           HG3      GLU  90  -4.484  13.010  16.403
  670    H    VAL  91           H        VAL  91  -5.501  11.207  14.796
  671    HA   VAL  91           HA       VAL  91  -7.567  10.964  16.819
  672    HB   VAL  91           HB       VAL  91  -7.864  11.312  13.809
  673   HG11  VAL  91          HG11      VAL  91 -10.110  12.247  14.345
  674   HG12  VAL  91          HG12      VAL  91  -9.996  10.533  14.746
  675   HG13  VAL  91          HG13      VAL  91  -9.899  11.755  16.037
  676   HG21  VAL  91          HG21      VAL  91  -7.831  13.373  16.054
  677   HG22  VAL  91          HG22      VAL  91  -6.598  13.180  14.786
  678   HG23  VAL  91          HG23      VAL  91  -8.223  13.713  14.358
  679    H    ILE  92           H        ILE  92  -6.484   8.863  14.134
  680    HA   ILE  92           HA       ILE  92  -8.718   6.997  14.472
  681    HB   ILE  92           HB       ILE  92  -6.144   6.341  13.029
  682   HG12  ILE  92          HG12      ILE  92  -6.545   8.366  11.980
  683   HG13  ILE  92          HG13      ILE  92  -7.281   7.202  10.924
  684   HG21  ILE  92          HG21      ILE  92  -7.655   4.971  11.648
  685   HG22  ILE  92          HG22      ILE  92  -7.834   4.553  13.360
  686   HG23  ILE  92          HG23      ILE  92  -9.052   5.562  12.570
  687   HD11  ILE  92          HD11      ILE  92  -8.564   9.331  11.187
  688   HD12  ILE  92          HD12      ILE  92  -9.512   7.884  11.595
  689   HD13  ILE  92          HD13      ILE  92  -8.888   8.940  12.868
  690    H    ILE  93           H        ILE  93  -5.315   7.034  15.573
  691    HA   ILE  93           HA       ILE  93  -5.498   4.545  17.040
  692    HB   ILE  93           HB       ILE  93  -3.741   7.026  17.347
  693   HG12  ILE  93          HG12      ILE  93  -3.117   4.232  16.271
  694   HG13  ILE  93          HG13      ILE  93  -3.490   5.626  15.267
  695   HG21  ILE  93          HG21      ILE  93  -3.489   4.378  18.845
  696   HG22  ILE  93          HG22      ILE  93  -2.274   5.673  18.842
  697   HG23  ILE  93          HG23      ILE  93  -3.839   5.973  19.554
  698   HD11  ILE  93          HD11      ILE  93  -1.532   6.830  16.250
  699   HD12  ILE  93          HD12      ILE  93  -1.057   5.310  17.050
  700   HD13  ILE  93          HD13      ILE  93  -1.123   5.398  15.290
  701    H    SER  94           H        SER  94  -6.295   7.912  17.989
  702    HA   SER  94           HA       SER  94  -6.950   7.252  20.704
  703    HB2  SER  94           HB2      SER  94  -8.085   9.486  18.968
  704    HB3  SER  94           HB3      SER  94  -8.178   9.378  20.733
  705    HG   SER  94           HG       SER  94  -5.897   9.763  19.079
  706    H    SER  95           H        SER  95  -8.903   7.318  17.727
  707    HA   SER  95           HA       SER  95 -11.418   6.596  18.892
  708    HB2  SER  95           HB2      SER  95 -10.275   6.244  16.107
  709    HB3  SER  95           HB3      SER  95 -11.969   5.938  16.542
  710    HG   SER  95           HG       SER  95 -10.544   8.391  16.529
  711    H    ALA  96           H        ALA  96  -8.756   4.558  17.527
  712    HA   ALA  96           HA       ALA  96 -10.066   2.049  17.930
  713    HB1  ALA  96           HB1      ALA  96  -7.082   2.696  17.989
  714    HB2  ALA  96           HB2      ALA  96  -7.842   1.138  17.579
  715    HB3  ALA  96           HB3      ALA  96  -8.055   2.532  16.513
  716    H    LYS  97           H        LYS  97  -7.903   3.923  20.124
  717    HA   LYS  97           HA       LYS  97  -8.196   2.066  22.337
  718    HB2  LYS  97           HB2      LYS  97  -7.296   4.967  22.215
  719    HB3  LYS  97           HB3      LYS  97  -7.234   3.948  23.668
  720    HG2  LYS  97           HG2      LYS  97  -5.817   2.291  22.419
  721    HG3  LYS  97           HG3      LYS  97  -5.724   3.424  21.071
  722    HD2  LYS  97           HD2      LYS  97  -4.707   3.860  23.910
  723    HD3  LYS  97           HD3      LYS  97  -3.729   3.567  22.461
  724    HE2  LYS  97           HE2      LYS  97  -4.622   5.710  21.473
  725    HE3  LYS  97           HE3      LYS  97  -5.502   6.005  22.980
  726    HZ1  LYS  97           HZ1      LYS  97  -3.372   6.047  24.157
  727    HZ2  LYS  97           HZ2      LYS  97  -2.545   5.798  22.764
  728    HZ3  LYS  97           HZ3      LYS  97  -3.390   7.181  22.987
  729    H    GLU  98           H        GLU  98 -10.443   4.455  21.143
  730    HA   GLU  98           HA       GLU  98 -12.047   4.315  23.595
  731    HB2  GLU  98           HB2      GLU  98 -12.487   5.634  20.896
  732    HB3  GLU  98           HB3      GLU  98 -13.762   5.508  22.113
  733    HG2  GLU  98           HG2      GLU  98 -12.324   6.669  23.767
  734    HG3  GLU  98           HG3      GLU  98 -11.076   6.879  22.543
  735    H    MET  99           H        MET  99 -12.087   2.942  20.316
  736    HA   MET  99           HA       MET  99 -14.459   1.325  20.595
  737    HB2  MET  99           HB2      MET  99 -12.047   1.265  18.748
  738    HB3  MET  99           HB3      MET  99 -13.324   0.062  18.629
  739    HG2  MET  99           HG2      MET  99 -13.899   3.043  18.567
  740    HG3  MET  99           HG3      MET  99 -13.508   2.151  17.120
  741    HE1  MET  99           HE1      MET  99 -14.948  -0.612  17.255
  742    HE2  MET  99           HE2      MET  99 -16.553  -0.232  16.600
  743    HE3  MET  99           HE3      MET  99 -15.107   0.479  15.859
  744    H    VAL 100           H        VAL 100 -11.115   0.641  21.572
  745    HA   VAL 100           HA       VAL 100 -11.185  -2.060  21.931
  746    HB   VAL 100           HB       VAL 100  -9.342  -0.489  22.586
  747   HG11  VAL 100          HG11      VAL 100 -10.704   0.812  24.305
  748   HG12  VAL 100          HG12      VAL 100 -10.460  -0.559  25.399
  749   HG13  VAL 100          HG13      VAL 100  -9.056   0.328  24.769
  750   HG21  VAL 100          HG21      VAL 100  -8.340  -2.079  24.165
  751   HG22  VAL 100          HG22      VAL 100  -9.925  -2.817  24.459
  752   HG23  VAL 100          HG23      VAL 100  -9.179  -2.929  22.851
  753    H    GLY 101           H        GLY 101 -12.331  -3.551  22.888
  754    HA2  GLY 101           HA2      GLY 101 -13.632  -4.617  24.516
  755    HA3  GLY 101           HA3      GLY 101 -13.906  -3.073  25.347
  756    H    GLN 102           H        GLN 102 -14.682  -2.495  22.096
  757    HA   GLN 102           HA       GLN 102 -17.498  -2.516  22.487
  758    HB2  GLN 102           HB2      GLN 102 -15.633  -1.942  20.256
  759    HB3  GLN 102           HB3      GLN 102 -17.024  -2.795  19.688
  760    HG2  GLN 102           HG2      GLN 102 -17.218  -0.275  21.398
  761    HG3  GLN 102           HG3      GLN 102 -17.243  -0.303  19.629
  762   HE21  GLN 102          HE22      GLN 102 -18.966  -1.767  18.584
  763   HE22  GLN 102          HE21      GLN 102 -20.467  -1.996  19.467
  764    H    LYS 103           H        LYS 103 -19.065  -3.806  21.770
  765    HA   LYS 103           HA       LYS 103 -18.395  -6.461  20.607
  766    HB2  LYS 103           HB2      LYS 103 -20.484  -5.857  22.736
  767    HB3  LYS 103           HB3      LYS 103 -20.407  -7.373  21.824
  768    HG2  LYS 103           HG2      LYS 103 -18.123  -7.799  22.684
  769    HG3  LYS 103           HG3      LYS 103 -18.192  -6.293  23.624
  770    HD2  LYS 103           HD2      LYS 103 -20.143  -7.148  24.884
  771    HD3  LYS 103           HD3      LYS 103 -20.092  -8.663  23.947
  772    HE2  LYS 103           HE2      LYS 103 -17.814  -9.122  24.787
  773    HE3  LYS 103           HE3      LYS 103 -17.813  -7.597  25.680
  774    HZ1  LYS 103           HZ1      LYS 103 -18.378  -9.470  27.110
  775    HZ2  LYS 103           HZ2      LYS 103 -19.655  -8.453  27.021
  776    HZ3  LYS 103           HZ3      LYS 103 -19.669  -9.864  26.189
  777    H    MET 104           H        MET 104 -19.660  -7.158  18.896
  778    HA   MET 104           HA       MET 104 -21.965  -5.477  18.002
  779    HB2  MET 104           HB2      MET 104 -19.507  -6.045  16.288
  780    HB3  MET 104           HB3      MET 104 -21.025  -5.336  15.716
  781    HG2  MET 104           HG2      MET 104 -20.682  -3.540  17.529
  782    HG3  MET 104           HG3      MET 104 -19.017  -4.126  17.638
  783    HE1  MET 104           HE1      MET 104 -17.654  -3.348  14.036
  784    HE2  MET 104           HE2      MET 104 -17.240  -3.929  15.666
  785    HE3  MET 104           HE3      MET 104 -18.341  -4.863  14.629
  786    H    LYS 105           H        LYS 105 -23.463  -6.474  16.708
  787    HA   LYS 105           HA       LYS 105 -22.961  -9.227  15.702
  788    HB2  LYS 105           HB2      LYS 105 -23.959  -8.993  18.181
  789    HB3  LYS 105           HB3      LYS 105 -25.476  -8.729  17.317
  790    HG2  LYS 105           HG2      LYS 105 -25.082 -10.934  16.115
  791    HG3  LYS 105           HG3      LYS 105 -23.583 -11.115  17.043
  792    HD2  LYS 105           HD2      LYS 105 -25.043 -10.916  19.162
  793    HD3  LYS 105           HD3      LYS 105 -26.445 -11.108  18.089
  794    HE2  LYS 105           HE2      LYS 105 -25.502 -13.267  17.267
  795    HE3  LYS 105           HE3      LYS 105 -24.076 -13.027  18.291
  796    HZ1  LYS 105           HZ1      LYS 105 -26.851 -13.476  19.247
  797    HZ2  LYS 105           HZ2      LYS 105 -25.563 -14.489  19.406
  798    HZ3  LYS 105           HZ3      LYS 105 -25.604 -13.075  20.234
  799    H    TYR 106           H        TYR 106 -23.412  -6.520  14.516
  800    HA   TYR 106           HA       TYR 106 -26.134  -6.404  13.525
  801    HB2  TYR 106           HB2      TYR 106 -23.705  -4.773  12.712
  802    HB3  TYR 106           HB3      TYR 106 -25.397  -4.335  12.495
  803    HD1  TYR 106           HD1      TYR 106 -26.800  -4.529  14.886
  804    HD2  TYR 106           HD2      TYR 106 -22.611  -3.605  14.427
  805    HE1  TYR 106           HE1      TYR 106 -26.800  -3.418  17.105
  806    HE2  TYR 106           HE2      TYR 106 -22.616  -2.475  16.636
  807    HH   TYR 106           HH       TYR 106 -23.860  -1.899  18.483
  808    H    SER 107           H        SER 107 -23.287  -7.923  12.230
  809    HA   SER 107           HA       SER 107 -24.712  -8.825   9.871
  810    HB2  SER 107           HB2      SER 107 -23.941  -6.444   9.286
  811    HB3  SER 107           HB3      SER 107 -22.290  -7.082   9.303
  812    HG   SER 107           HG       SER 107 -23.591  -7.089   7.224
  813    H    ILE 108           H        ILE 108 -23.047  -9.882   8.304
  814    HA   ILE 108           HA       ILE 108 -21.873 -12.139   9.703
  815    HB   ILE 108           HB       ILE 108 -21.818 -11.250   6.775
  816   HG12  ILE 108          HG12      ILE 108 -23.490 -13.381   8.192
  817   HG13  ILE 108          HG13      ILE 108 -24.076 -11.788   7.720
  818   HG21  ILE 108          HG21      ILE 108 -21.109 -13.553   6.204
  819   HG22  ILE 108          HG22      ILE 108 -19.898 -12.745   7.160
  820   HG23  ILE 108          HG23      ILE 108 -20.968 -13.945   7.933
  821   HD11  ILE 108          HD11      ILE 108 -24.859 -13.334   6.093
  822   HD12  ILE 108          HD12      ILE 108 -23.598 -12.353   5.316
  823   HD13  ILE 108          HD13      ILE 108 -23.256 -14.024   5.839
  824    H    VAL 109           H        VAL 109 -19.672 -12.715   9.869
  825    HA   VAL 109           HA       VAL 109 -18.063 -10.860  10.956
  826    HB   VAL 109           HB       VAL 109 -17.799 -13.292  11.141
  827   HG11  VAL 109          HG11      VAL 109 -16.374 -14.581   9.659
  828   HG12  VAL 109          HG12      VAL 109 -17.719 -13.909   8.728
  829   HG13  VAL 109          HG13      VAL 109 -16.100 -13.176   8.614
  830   HG21  VAL 109          HG21      VAL 109 -15.434 -13.317  11.640
  831   HG22  VAL 109          HG22      VAL 109 -15.145 -11.905  10.610
  832   HG23  VAL 109          HG23      VAL 109 -16.118 -11.743  12.089
  833    H    SER 110           H        SER 110 -18.041 -11.432   7.459
  834    HA   SER 110           HA       SER 110 -15.639 -10.014   6.760
  835    HB2  SER 110           HB2      SER 110 -16.829  -9.825   4.542
  836    HB3  SER 110           HB3      SER 110 -16.686 -11.476   5.173
  837    HG   SER 110           HG       SER 110 -18.788 -11.045   4.373
  838    H    ARG 111           H        ARG 111 -19.056  -8.862   6.475
  839    HA   ARG 111           HA       ARG 111 -18.226  -6.118   6.339
  840    HB2  ARG 111           HB2      ARG 111 -20.387  -6.940   5.411
  841    HB3  ARG 111           HB3      ARG 111 -20.977  -7.207   7.046
  842    HG2  ARG 111           HG2      ARG 111 -21.831  -5.097   6.095
  843    HG3  ARG 111           HG3      ARG 111 -20.862  -4.787   7.534
  844    HD2  ARG 111           HD2      ARG 111 -20.583  -3.186   5.556
  845    HD3  ARG 111           HD3      ARG 111 -19.143  -3.781   6.360
  846    HE   ARG 111           HE       ARG 111 -18.461  -4.872   4.445
  847   HH11  ARG 111          HH11      ARG 111 -21.864  -4.024   3.837
  848   HH12  ARG 111          HH12      ARG 111 -21.710  -4.457   2.158
  849   HH21  ARG 111          HH21      ARG 111 -18.335  -5.353   2.473
  850   HH22  ARG 111          HH22      ARG 111 -19.691  -5.229   1.350
  851    H    ASN 112           H        ASN 112 -19.056  -8.187   9.091
  852    HA   ASN 112           HA       ASN 112 -19.294  -6.181  11.083
  853    HB2  ASN 112           HB2      ASN 112 -19.525  -8.829  11.095
  854    HB3  ASN 112           HB3      ASN 112 -17.855  -8.783  11.649
  855   HD21  ASN 112          HD22      ASN 112 -20.827  -9.264  12.781
  856   HD22  ASN 112          HD21      ASN 112 -20.646  -8.528  14.376
  857    H    CYS 113           H        CYS 113 -16.333  -7.667   9.708
  858    HA   CYS 113           HA       CYS 113 -14.489  -6.114  11.315
  859    HB2  CYS 113           HB2      CYS 113 -14.308  -8.447   9.908
  860    HB3  CYS 113           HB3      CYS 113 -13.592  -7.340   8.727
  861    HG   CYS 113           HG       CYS 113 -12.850  -7.952  11.915
  862    H    GLU 114           H        GLU 114 -15.638  -5.732   7.914
  863    HA   GLU 114           HA       GLU 114 -14.190  -3.308   7.382
  864    HB2  GLU 114           HB2      GLU 114 -16.883  -4.240   6.310
  865    HB3  GLU 114           HB3      GLU 114 -15.972  -2.864   5.688
  866    HG2  GLU 114           HG2      GLU 114 -14.075  -4.373   5.131
  867    HG3  GLU 114           HG3      GLU 114 -15.027  -5.763   5.662
  868    H    HIS 115           H        HIS 115 -17.479  -3.751   8.755
  869    HA   HIS 115           HA       HIS 115 -18.169  -1.051   9.157
  870    HB2  HIS 115           HB2      HIS 115 -19.703  -2.959   9.237
  871    HB3  HIS 115           HB3      HIS 115 -18.929  -3.556  10.705
  872    HD1  HIS 115           HD1      HIS 115 -20.489  -0.061   9.840
  873    HD2  HIS 115           HD2      HIS 115 -20.627  -3.233  12.607
  874    HE1  HIS 115           HE1      HIS 115 -22.190   0.601  11.608
  875    H    PHE 116           H        PHE 116 -16.302  -3.327  11.199
  876    HA   PHE 116           HA       PHE 116 -15.813  -1.626  13.448
  877    HB2  PHE 116           HB2      PHE 116 -15.373  -3.839  13.874
  878    HB3  PHE 116           HB3      PHE 116 -14.707  -4.158  12.312
  879    HD1  PHE 116           HD1      PHE 116 -13.942  -2.449  15.544
  880    HD2  PHE 116           HD2      PHE 116 -12.345  -4.284  11.970
  881    HE1  PHE 116           HE1      PHE 116 -11.662  -2.322  16.494
  882    HE2  PHE 116           HE2      PHE 116 -10.067  -4.160  12.941
  883    HZ   PHE 116           HZ       PHE 116  -9.713  -3.172  15.193
  884    H    VAL 117           H        VAL 117 -13.529  -2.257  10.651
  885    HA   VAL 117           HA       VAL 117 -11.847  -0.112  11.600
  886    HB   VAL 117           HB       VAL 117 -10.765  -0.040   9.350
  887   HG11  VAL 117          HG11      VAL 117  -9.614  -2.131   9.654
  888   HG12  VAL 117          HG12      VAL 117  -9.930  -1.375  11.226
  889   HG13  VAL 117          HG13      VAL 117 -10.931  -2.746  10.687
  890   HG21  VAL 117          HG21      VAL 117 -11.190  -1.767   7.714
  891   HG22  VAL 117          HG22      VAL 117 -12.518  -2.427   8.687
  892   HG23  VAL 117          HG23      VAL 117 -12.664  -0.820   7.945
  893    H    THR 118           H        THR 118 -14.614   0.011   9.411
  894    HA   THR 118           HA       THR 118 -14.290   2.789   8.609
  895    HB   THR 118           HB       THR 118 -16.993   1.513   9.063
  896    HG1  THR 118           HG1      THR 118 -15.776   0.091   7.748
  897   HG21  THR 118          HG21      THR 118 -16.868   3.948   8.500
  898   HG22  THR 118          HG22      THR 118 -15.918   3.544   7.048
  899   HG23  THR 118          HG23      THR 118 -17.595   2.994   7.193
  900    H    GLN 119           H        GLN 119 -16.146   1.371  11.417
  901    HA   GLN 119           HA       GLN 119 -16.658   3.874  12.654
  902    HB2  GLN 119           HB2      GLN 119 -16.390   1.064  13.716
  903    HB3  GLN 119           HB3      GLN 119 -16.673   2.427  14.801
  904    HG2  GLN 119           HG2      GLN 119 -18.736   3.031  13.726
  905    HG3  GLN 119           HG3      GLN 119 -18.454   1.907  12.391
  906   HE21  GLN 119          HE22      GLN 119 -18.265  -0.412  12.965
  907   HE22  GLN 119          HE21      GLN 119 -19.330  -1.011  14.244
  908    H    LEU 120           H        LEU 120 -13.611   1.981  12.847
  909    HA   LEU 120           HA       LEU 120 -12.420   3.636  14.866
  910    HB2  LEU 120           HB2      LEU 120 -11.374   1.756  12.754
  911    HB3  LEU 120           HB3      LEU 120 -10.256   2.924  13.438
  912    HG   LEU 120           HG       LEU 120 -10.790   2.152  15.723
  913   HD11  LEU 120          HD11      LEU 120 -12.227  -0.169  14.380
  914   HD12  LEU 120          HD12      LEU 120 -11.959   0.062  16.122
  915   HD13  LEU 120          HD13      LEU 120 -13.056   1.142  15.247
  916   HD21  LEU 120          HD21      LEU 120  -8.846   1.285  14.490
  917   HD22  LEU 120          HD22      LEU 120  -9.509   0.054  15.577
  918   HD23  LEU 120          HD23      LEU 120  -9.825  -0.037  13.825
  919    H    ARG 121           H        ARG 121 -12.698   4.180  11.339
  920    HA   ARG 121           HA       ARG 121 -11.661   6.946  11.859
  921    HB2  ARG 121           HB2      ARG 121 -10.661   6.990   9.726
  922    HB3  ARG 121           HB3      ARG 121 -10.198   5.523  10.574
  923    HG2  ARG 121           HG2      ARG 121 -12.114   4.394   9.136
  924    HG3  ARG 121           HG3      ARG 121 -11.908   5.835   8.109
  925    HD2  ARG 121           HD2      ARG 121  -9.374   5.362   8.240
  926    HD3  ARG 121           HD3      ARG 121  -9.780   3.797   8.942
  927    HE   ARG 121           HE       ARG 121  -9.761   4.556   6.197
  928   HH11  ARG 121          HH11      ARG 121 -11.824   2.531   8.253
  929   HH12  ARG 121          HH12      ARG 121 -12.116   1.396   6.953
  930   HH21  ARG 121          HH21      ARG 121  -9.875   2.959   4.785
  931   HH22  ARG 121          HH22      ARG 121 -10.986   1.611   4.978
  932    H    TYR 122           H        TYR 122 -14.548   5.826  11.761
  933    HA   TYR 122           HA       TYR 122 -15.869   6.975   9.574
  934    HB2  TYR 122           HB2      TYR 122 -16.709   5.166  10.938
  935    HB3  TYR 122           HB3      TYR 122 -16.874   6.227  12.334
  936    HD1  TYR 122           HD1      TYR 122 -17.992   7.115   8.843
  937    HD2  TYR 122           HD2      TYR 122 -19.141   5.539  12.695
  938    HE1  TYR 122           HE1      TYR 122 -20.379   7.334   8.220
  939    HE2  TYR 122           HE2      TYR 122 -21.534   5.764  12.071
  940    HH   TYR 122           HH       TYR 122 -22.548   7.042   8.877
  941    H    GLY 123           H        GLY 123 -14.719   8.529  12.479
  942    HA2  GLY 123           HA2      GLY 123 -16.744  10.507  12.877
  943    HA3  GLY 123           HA3      GLY 123 -15.086  10.563  13.519
  944    H    LYS 124           H        LYS 124 -13.766  10.612  10.938
  945    HA   LYS 124           HA       LYS 124 -14.557  13.331   9.924
  946    HB2  LYS 124           HB2      LYS 124 -11.816  11.983  10.014
  947    HB3  LYS 124           HB3      LYS 124 -12.153  13.597   9.386
  948    HG2  LYS 124           HG2      LYS 124 -12.439  12.732  12.294
  949    HG3  LYS 124           HG3      LYS 124 -11.142  13.697  11.593
  950    HD2  LYS 124           HD2      LYS 124 -12.840  15.470  10.988
  951    HD3  LYS 124           HD3      LYS 124 -14.078  14.495  11.779
  952    HE2  LYS 124           HE2      LYS 124 -13.493  16.103  13.384
  953    HE3  LYS 124           HE3      LYS 124 -12.732  14.609  13.922
  954    HZ1  LYS 124           HZ1      LYS 124 -10.618  15.456  13.002
  955    HZ2  LYS 124           HZ2      LYS 124 -11.356  16.819  12.467
  956    HZ3  LYS 124           HZ3      LYS 124 -11.233  16.527  14.068
  957    H    SER 125           H        SER 125 -14.329  10.058   8.905
  958    HA   SER 125           HA       SER 125 -13.734  10.541   6.077
  959    HB2  SER 125           HB2      SER 125 -14.902   8.070   7.380
  960    HB3  SER 125           HB3      SER 125 -14.237   8.216   5.742
  961    HG   SER 125           HG       SER 125 -12.940   8.197   8.227
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  21.040  -1.875   4.528
    2    H2   MET   1           H2       MET   1  19.914  -0.730   4.828
    3    H3   MET   1           H3       MET   1  21.380  -0.657   5.559
    4    HA   MET   1           HA       MET   1  20.938  -2.684   6.795
    5    HB2  MET   1           HB2      MET   1  18.761  -0.564   7.100
    6    HB3  MET   1           HB3      MET   1  19.033  -1.888   8.236
    7    HG2  MET   1           HG2      MET   1  21.338  -1.080   8.651
    8    HG3  MET   1           HG3      MET   1  21.044   0.294   7.572
    9    HE1  MET   1           HE1      MET   1  22.135   0.586  10.543
   10    HE2  MET   1           HE2      MET   1  21.827   1.964   9.457
   11    HE3  MET   1           HE3      MET   1  21.175   1.974  11.111
   12    H    ALA   2           H        ALA   2  19.426  -4.349   7.439
   13    HA   ALA   2           HA       ALA   2  17.878  -5.430   5.211
   14    HB1  ALA   2           HB1      ALA   2  19.295  -6.831   6.686
   15    HB2  ALA   2           HB2      ALA   2  18.269  -6.406   8.077
   16    HB3  ALA   2           HB3      ALA   2  17.598  -7.347   6.727
   17    H    SER   3           H        SER   3  15.665  -6.295   5.538
   18    HA   SER   3           HA       SER   3  13.847  -4.962   7.394
   19    HB2  SER   3           HB2      SER   3  12.534  -3.826   5.616
   20    HB3  SER   3           HB3      SER   3  14.149  -3.147   5.820
   21    HG   SER   3           HG       SER   3  13.603  -3.433   3.614
   22    HA   PRO   4           HA       PRO   4  11.492  -8.610   6.400
   23    HB2  PRO   4           HB2      PRO   4   8.974  -7.991   7.214
   24    HB3  PRO   4           HB3      PRO   4  10.338  -8.130   8.363
   25    HG2  PRO   4           HG2      PRO   4   9.237  -5.603   7.092
   26    HG3  PRO   4           HG3      PRO   4   9.538  -5.916   8.831
   27    HD2  PRO   4           HD2      PRO   4  11.349  -4.613   7.281
   28    HD3  PRO   4           HD3      PRO   4  11.881  -5.766   8.543
   29    H    HIS   5           H        HIS   5   9.789  -9.493   5.011
   30    HA   HIS   5           HA       HIS   5   9.637  -8.110   2.452
   31    HB2  HIS   5           HB2      HIS   5   8.387 -10.711   3.436
   32    HB3  HIS   5           HB3      HIS   5   8.446 -10.175   1.763
   33    HD1  HIS   5           HD1      HIS   5  11.789  -9.335   2.921
   34    HD2  HIS   5           HD2      HIS   5   9.681 -12.848   1.976
   35    HE1  HIS   5           HE1      HIS   5  13.549 -11.101   2.407
   36    H    GLN   6           H        GLN   6   7.660  -7.861   5.190
   37    HA   GLN   6           HA       GLN   6   5.638  -6.312   3.776
   38    HB2  GLN   6           HB2      GLN   6   4.785  -8.645   3.539
   39    HB3  GLN   6           HB3      GLN   6   4.840  -8.854   5.292
   40    HG2  GLN   6           HG2      GLN   6   3.117  -7.126   5.588
   41    HG3  GLN   6           HG3      GLN   6   3.156  -6.746   3.860
   42   HE21  GLN   6          HE22      GLN   6   2.120  -9.216   6.261
   43   HE22  GLN   6          HE21      GLN   6   1.002  -9.988   5.147
   44    H    GLU   7           H        GLU   7   4.827  -4.712   5.138
   45    HA   GLU   7           HA       GLU   7   4.928  -5.000   8.047
   46    HB2  GLU   7           HB2      GLU   7   7.219  -4.225   7.487
   47    HB3  GLU   7           HB3      GLU   7   6.534  -2.814   6.671
   48    HG2  GLU   7           HG2      GLU   7   5.570  -2.013   8.781
   49    HG3  GLU   7           HG3      GLU   7   6.109  -3.476   9.617
   50    HA   PRO   8           HA       PRO   8   1.486  -2.138   7.131
   51    HB2  PRO   8           HB2      PRO   8   0.119  -2.354   9.465
   52    HB3  PRO   8           HB3      PRO   8   0.102  -3.647   8.224
   53    HG2  PRO   8           HG2      PRO   8   1.771  -3.499  10.735
   54    HG3  PRO   8           HG3      PRO   8   0.868  -4.897  10.073
   55    HD2  PRO   8           HD2      PRO   8   3.578  -4.467   9.723
   56    HD3  PRO   8           HD3      PRO   8   2.567  -5.377   8.562
   57    H    LYS   9           H        LYS   9   1.138  -0.046   7.629
   58    HA   LYS   9           HA       LYS   9   3.024   1.345   9.494
   59    HB2  LYS   9           HB2      LYS   9   1.621   2.061   6.890
   60    HB3  LYS   9           HB3      LYS   9   2.192   3.325   7.954
   61    HG2  LYS   9           HG2      LYS   9   3.791   2.872   6.190
   62    HG3  LYS   9           HG3      LYS   9   4.489   2.581   7.778
   63    HD2  LYS   9           HD2      LYS   9   4.353   0.200   7.516
   64    HD3  LYS   9           HD3      LYS   9   3.398   0.323   6.036
   65    HE2  LYS   9           HE2      LYS   9   6.271   1.336   6.375
   66    HE3  LYS   9           HE3      LYS   9   5.852  -0.260   5.743
   67    HZ1  LYS   9           HZ1      LYS   9   5.092   2.320   4.478
   68    HZ2  LYS   9           HZ2      LYS   9   6.233   1.285   3.941
   69    HZ3  LYS   9           HZ3      LYS   9   4.663   0.839   3.921
   70    HA   PRO  10           HA       PRO  10  -0.193   2.529  12.176
   71    HB2  PRO  10           HB2      PRO  10   0.084   5.216  12.672
   72    HB3  PRO  10           HB3      PRO  10   1.147   3.918  13.365
   73    HG2  PRO  10           HG2      PRO  10   1.623   5.629  10.902
   74    HG3  PRO  10           HG3      PRO  10   2.766   5.285  12.248
   75    HD2  PRO  10           HD2      PRO  10   2.909   3.897   9.952
   76    HD3  PRO  10           HD3      PRO  10   3.075   3.036  11.515
   77    H    GLY  11           H        GLY  11  -2.254   2.787  11.963
   78    HA2  GLY  11           HA2      GLY  11  -4.309   3.694  11.242
   79    HA3  GLY  11           HA3      GLY  11  -3.442   4.631  10.006
   80    H    ASP  12           H        ASP  12  -2.170   1.680   9.499
   81    HA   ASP  12           HA       ASP  12  -3.672   1.227   7.124
   82    HB2  ASP  12           HB2      ASP  12  -1.628  -0.457   8.590
   83    HB3  ASP  12           HB3      ASP  12  -2.446  -1.026   7.155
   84    H    LEU  13           H        LEU  13  -5.124  -0.155   6.493
   85    HA   LEU  13           HA       LEU  13  -6.849  -1.530   8.479
   86    HB2  LEU  13           HB2      LEU  13  -7.911  -0.038   6.867
   87    HB3  LEU  13           HB3      LEU  13  -7.082  -0.822   5.529
   88    HG   LEU  13           HG       LEU  13  -8.411  -2.831   5.788
   89   HD11  LEU  13          HD11      LEU  13  -8.727  -2.920   8.215
   90   HD12  LEU  13          HD12      LEU  13  -9.655  -1.400   8.186
   91   HD13  LEU  13          HD13      LEU  13 -10.312  -2.865   7.430
   92   HD21  LEU  13          HD21      LEU  13 -10.162  -0.324   5.906
   93   HD22  LEU  13          HD22      LEU  13  -9.342  -0.933   4.459
   94   HD23  LEU  13          HD23      LEU  13 -10.623  -1.893   5.206
   95    H    ILE  14           H        ILE  14  -5.577  -3.227   9.090
   96    HA   ILE  14           HA       ILE  14  -4.275  -4.991   7.124
   97    HB   ILE  14           HB       ILE  14  -4.591  -5.463  10.107
   98   HG12  ILE  14          HG12      ILE  14  -2.332  -3.929   8.733
   99   HG13  ILE  14          HG13      ILE  14  -3.535  -3.227   9.814
  100   HG21  ILE  14          HG21      ILE  14  -3.842  -7.362   8.601
  101   HG22  ILE  14          HG22      ILE  14  -2.460  -6.362   8.121
  102   HG23  ILE  14          HG23      ILE  14  -2.634  -6.924   9.793
  103   HD11  ILE  14          HD11      ILE  14  -1.463  -5.293  10.633
  104   HD12  ILE  14          HD12      ILE  14  -1.467  -3.579  11.002
  105   HD13  ILE  14          HD13      ILE  14  -2.740  -4.615  11.681
  106    H    GLU  15           H        GLU  15  -5.112  -6.852   6.368
  107    HA   GLU  15           HA       GLU  15  -7.731  -7.872   7.367
  108    HB2  GLU  15           HB2      GLU  15  -7.278  -7.141   4.888
  109    HB3  GLU  15           HB3      GLU  15  -6.375  -8.642   4.757
  110    HG2  GLU  15           HG2      GLU  15  -8.455  -9.861   5.555
  111    HG3  GLU  15           HG3      GLU  15  -9.326  -8.321   5.503
  112    H    ILE  16           H        ILE  16  -7.359  -9.363   8.867
  113    HA   ILE  16           HA       ILE  16  -4.934 -11.130   8.966
  114    HB   ILE  16           HB       ILE  16  -7.313 -11.006  10.862
  115   HG12  ILE  16          HG12      ILE  16  -6.488  -8.704  10.813
  116   HG13  ILE  16          HG13      ILE  16  -6.201  -9.491  12.345
  117   HG21  ILE  16          HG21      ILE  16  -5.869 -12.958  11.066
  118   HG22  ILE  16          HG22      ILE  16  -4.433 -11.938  11.200
  119   HG23  ILE  16          HG23      ILE  16  -5.671 -11.921  12.476
  120   HD11  ILE  16          HD11      ILE  16  -4.060  -9.156  10.205
  121   HD12  ILE  16          HD12      ILE  16  -4.302  -8.070  11.585
  122   HD13  ILE  16          HD13      ILE  16  -3.830  -9.749  11.865
  123    H    PHE  17           H        PHE  17  -5.000 -13.090   8.035
  124    HA   PHE  17           HA       PHE  17  -7.364 -14.056   6.746
  125    HB2  PHE  17           HB2      PHE  17  -5.013 -14.456   6.028
  126    HB3  PHE  17           HB3      PHE  17  -4.762 -15.478   7.435
  127    HD1  PHE  17           HD2      PHE  17  -6.758 -15.123   4.292
  128    HD2  PHE  17           HD1      PHE  17  -5.431 -17.794   7.408
  129    HE1  PHE  17           HE2      PHE  17  -7.651 -17.060   3.017
  130    HE2  PHE  17           HE1      PHE  17  -6.319 -19.727   6.132
  131    HZ   PHE  17           HZ       PHE  17  -7.426 -19.366   3.932
  132    H    ARG  18           H        ARG  18  -5.952 -14.709   9.885
  133    HA   ARG  18           HA       ARG  18  -6.393 -16.151  11.555
  134    HB2  ARG  18           HB2      ARG  18  -8.535 -14.298  11.180
  135    HB3  ARG  18           HB3      ARG  18  -9.201 -15.722  11.935
  136    HG2  ARG  18           HG2      ARG  18  -6.725 -14.217  12.877
  137    HG3  ARG  18           HG3      ARG  18  -8.337 -14.050  13.569
  138    HD2  ARG  18           HD2      ARG  18  -8.325 -16.224  14.504
  139    HD3  ARG  18           HD3      ARG  18  -6.881 -16.711  13.591
  140    HE   ARG  18           HE       ARG  18  -6.001 -14.533  15.007
  141   HH11  ARG  18          HH21      ARG  18  -7.463 -17.584  16.069
  142   HH12  ARG  18          HH22      ARG  18  -6.539 -17.605  17.539
  143   HH21  ARG  18          HH11      ARG  18  -4.851 -14.628  16.877
  144   HH22  ARG  18          HH12      ARG  18  -5.079 -15.932  18.002
  145    H    LEU  19           H        LEU  19  -9.310 -17.454  11.708
  146    HA   LEU  19           HA       LEU  19  -8.407 -20.015  10.417
  147    HB2  LEU  19           HB2      LEU  19  -9.397 -19.450  13.239
  148    HB3  LEU  19           HB3      LEU  19  -9.193 -21.075  12.571
  149    HG   LEU  19           HG       LEU  19  -6.967 -19.031  12.987
  150   HD11  LEU  19          HD11      LEU  19  -7.925 -19.857  15.104
  151   HD12  LEU  19          HD12      LEU  19  -7.667 -21.534  14.578
  152   HD13  LEU  19          HD13      LEU  19  -6.275 -20.458  14.857
  153   HD21  LEU  19          HD21      LEU  19  -5.444 -20.980  12.598
  154   HD22  LEU  19          HD22      LEU  19  -6.844 -21.978  12.164
  155   HD23  LEU  19          HD23      LEU  19  -6.387 -20.584  11.160
  156    H    GLY  20           H        GLY  20  -9.893 -20.449   8.907
  157    HA2  GLY  20           HA2      GLY  20 -11.917 -21.013   7.959
  158    HA3  GLY  20           HA3      GLY  20 -12.689 -20.828   9.550
  159    H    TYR  21           H        TYR  21 -11.368 -17.917   9.272
  160    HA   TYR  21           HA       TYR  21 -13.139 -16.536   7.414
  161    HB2  TYR  21           HB2      TYR  21 -14.767 -17.149   9.147
  162    HB3  TYR  21           HB3      TYR  21 -13.693 -16.537  10.405
  163    HD1  TYR  21           HD1      TYR  21 -15.461 -15.418   7.270
  164    HD2  TYR  21           HD2      TYR  21 -14.013 -14.336  11.188
  165    HE1  TYR  21           HE1      TYR  21 -16.437 -13.142   7.005
  166    HE2  TYR  21           HE2      TYR  21 -14.991 -12.064  10.929
  167    HH   TYR  21           HH       TYR  21 -16.123 -10.633   9.536
  168    H    GLU  22           H        GLU  22 -12.055 -14.833   6.751
  169    HA   GLU  22           HA       GLU  22  -9.851 -13.662   8.193
  170    HB2  GLU  22           HB2      GLU  22 -11.186 -12.524   5.709
  171    HB3  GLU  22           HB3      GLU  22  -9.541 -12.291   6.275
  172    HG2  GLU  22           HG2      GLU  22  -9.092 -13.788   4.637
  173    HG3  GLU  22           HG3      GLU  22  -9.419 -14.961   5.905
  174    H    HIS  23           H        HIS  23  -9.677 -11.526   9.064
  175    HA   HIS  23           HA       HIS  23 -12.110  -9.849   9.173
  176    HB2  HIS  23           HB2      HIS  23 -12.327  -9.760  11.508
  177    HB3  HIS  23           HB3      HIS  23 -12.188 -11.470  11.145
  178    HD1  HIS  23           HD1      HIS  23 -10.160  -8.592  12.745
  179    HD2  HIS  23           HD2      HIS  23 -10.084 -12.768  12.201
  180    HE1  HIS  23           HE1      HIS  23  -8.360  -9.491  14.307
  181    H    TRP  24           H        TRP  24 -11.735  -7.696  10.217
  182    HA   TRP  24           HA       TRP  24  -9.204  -6.624   9.217
  183    HB2  TRP  24           HB2      TRP  24 -11.561  -5.202  10.487
  184    HB3  TRP  24           HB3      TRP  24 -10.232  -4.457   9.611
  185    HD1  TRP  24           HD1      TRP  24 -13.631  -5.355   9.145
  186    HE1  TRP  24           HE1      TRP  24 -14.301  -5.640   6.667
  187    HE3  TRP  24           HE3      TRP  24  -8.970  -5.446   7.047
  188    HZ2  TRP  24           HZ2      TRP  24 -12.996  -5.610   4.112
  189    HZ3  TRP  24           HZ3      TRP  24  -8.720  -5.476   4.590
  190    HH2  TRP  24           HH2      TRP  24 -10.715  -5.553   3.106
  191    H    ALA  25           H        ALA  25  -7.795  -5.273  10.320
  192    HA   ALA  25           HA       ALA  25  -8.170  -4.682  13.181
  193    HB1  ALA  25           HB1      ALA  25  -6.876  -6.816  13.149
  194    HB2  ALA  25           HB2      ALA  25  -5.667  -6.066  12.089
  195    HB3  ALA  25           HB3      ALA  25  -5.887  -5.472  13.744
  196    H    LEU  26           H        LEU  26  -7.399  -2.712  13.745
  197    HA   LEU  26           HA       LEU  26  -6.153  -1.033  11.613
  198    HB2  LEU  26           HB2      LEU  26  -8.424  -0.497  12.827
  199    HB3  LEU  26           HB3      LEU  26  -7.440  -0.083  14.210
  200    HG   LEU  26           HG       LEU  26  -8.031   1.923  13.026
  201   HD11  LEU  26          HD11      LEU  26  -5.658   1.806  13.889
  202   HD12  LEU  26          HD12      LEU  26  -5.152   1.525  12.202
  203   HD13  LEU  26          HD13      LEU  26  -6.003   3.015  12.644
  204   HD21  LEU  26          HD21      LEU  26  -8.565   0.905  10.858
  205   HD22  LEU  26          HD22      LEU  26  -7.505   2.321  10.676
  206   HD23  LEU  26          HD23      LEU  26  -6.835   0.698  10.504
  207    H    TYR  27           H        TYR  27  -4.034  -0.731  11.770
  208    HA   TYR  27           HA       TYR  27  -2.467  -1.382  14.119
  209    HB2  TYR  27           HB2      TYR  27  -1.961  -1.495  11.554
  210    HB3  TYR  27           HB3      TYR  27  -1.507   0.173  11.709
  211    HD1  TYR  27           HD1      TYR  27  -0.869  -3.208  13.272
  212    HD2  TYR  27           HD2      TYR  27   0.773   0.621  12.212
  213    HE1  TYR  27           HE1      TYR  27   1.421  -4.077  13.689
  214    HE2  TYR  27           HE2      TYR  27   3.066  -0.249  12.570
  215    HH   TYR  27           HH       TYR  27   4.339  -2.104  13.004
  216    H    ILE  28           H        ILE  28  -3.169  -0.118  15.829
  217    HA   ILE  28           HA       ILE  28  -3.334   2.807  15.638
  218    HB   ILE  28           HB       ILE  28  -3.778   2.721  18.071
  219   HG12  ILE  28          HG12      ILE  28  -3.911  -0.295  17.954
  220   HG13  ILE  28          HG13      ILE  28  -2.396   0.499  18.378
  221   HG21  ILE  28          HG21      ILE  28  -5.554   2.541  16.305
  222   HG22  ILE  28          HG22      ILE  28  -5.528   0.780  16.514
  223   HG23  ILE  28          HG23      ILE  28  -5.987   1.849  17.863
  224   HD11  ILE  28          HD11      ILE  28  -3.400   1.625  20.274
  225   HD12  ILE  28          HD12      ILE  28  -4.995   0.972  19.870
  226   HD13  ILE  28          HD13      ILE  28  -3.691  -0.125  20.376
  227    H    GLY  29           H        GLY  29  -0.720   0.684  16.389
  228    HA2  GLY  29           HA2      GLY  29   1.094   2.955  16.717
  229    HA3  GLY  29           HA3      GLY  29   0.937   1.944  18.153
  230    H    ASP  30           H        ASP  30   3.355   1.882  17.353
  231    HA   ASP  30           HA       ASP  30   3.985   0.189  15.134
  232    HB2  ASP  30           HB2      ASP  30   5.670   1.125  17.494
  233    HB3  ASP  30           HB3      ASP  30   6.294   0.230  16.108
  234    H    GLY  31           H        GLY  31   2.731  -1.646  15.428
  235    HA2  GLY  31           HA2      GLY  31   3.006  -4.011  15.662
  236    HA3  GLY  31           HA3      GLY  31   3.802  -3.774  17.237
  237    H    TYR  32           H        TYR  32   1.234  -1.694  17.295
  238    HA   TYR  32           HA       TYR  32  -0.442  -3.672  18.787
  239    HB2  TYR  32           HB2      TYR  32   0.095  -0.727  19.185
  240    HB3  TYR  32           HB3      TYR  32  -1.290  -1.533  19.911
  241    HD1  TYR  32           HD1      TYR  32   2.443  -1.489  19.824
  242    HD2  TYR  32           HD2      TYR  32  -1.084  -3.055  21.754
  243    HE1  TYR  32           HE1      TYR  32   3.852  -2.393  21.662
  244    HE2  TYR  32           HE2      TYR  32   0.313  -3.950  23.600
  245    HH   TYR  32           HH       TYR  32   2.436  -4.140  24.466
  246    H    VAL  33           H        VAL  33  -2.648  -3.829  18.524
  247    HA   VAL  33           HA       VAL  33  -3.863  -2.253  16.318
  248    HB   VAL  33           HB       VAL  33  -4.931  -4.370  15.469
  249   HG11  VAL  33          HG11      VAL  33  -2.989  -5.136  14.150
  250   HG12  VAL  33          HG12      VAL  33  -3.148  -3.385  14.185
  251   HG13  VAL  33          HG13      VAL  33  -1.912  -4.190  15.196
  252   HG21  VAL  33          HG21      VAL  33  -3.889  -6.524  15.891
  253   HG22  VAL  33          HG22      VAL  33  -2.754  -5.801  17.035
  254   HG23  VAL  33          HG23      VAL  33  -4.486  -5.852  17.415
  255    H    ILE  34           H        ILE  34  -6.068  -2.179  16.170
  256    HA   ILE  34           HA       ILE  34  -7.699  -3.240  18.479
  257    HB   ILE  34           HB       ILE  34  -8.086  -0.643  16.924
  258   HG12  ILE  34          HG12      ILE  34  -7.274  -1.345  19.767
  259   HG13  ILE  34          HG13      ILE  34  -6.385  -0.415  18.589
  260   HG21  ILE  34          HG21      ILE  34 -10.273  -1.760  17.346
  261   HG22  ILE  34          HG22      ILE  34  -9.862  -1.897  19.068
  262   HG23  ILE  34          HG23      ILE  34 -10.110  -0.307  18.314
  263   HD11  ILE  34          HD11      ILE  34  -7.229   1.024  20.356
  264   HD12  ILE  34          HD12      ILE  34  -8.034   1.437  18.836
  265   HD13  ILE  34          HD13      ILE  34  -8.878   0.491  20.081
  266    H    HIS  35           H        HIS  35  -9.490  -4.485  17.881
  267    HA   HIS  35           HA       HIS  35 -10.126  -4.846  14.998
  268    HB2  HIS  35           HB2      HIS  35  -9.408  -7.258  15.166
  269    HB3  HIS  35           HB3      HIS  35  -8.084  -6.103  15.215
  270    HD1  HIS  35           HD1      HIS  35  -9.603  -8.851  17.332
  271    HD2  HIS  35           HD2      HIS  35  -6.923  -5.638  17.699
  272    HE1  HIS  35           HE1      HIS  35  -8.324  -9.217  19.505
  273    H    LEU  36           H        LEU  36 -12.164  -5.689  14.644
  274    HA   LEU  36           HA       LEU  36 -13.864  -6.399  16.918
  275    HB2  LEU  36           HB2      LEU  36 -14.671  -5.194  14.870
  276    HB3  LEU  36           HB3      LEU  36 -14.342  -6.646  13.923
  277    HG   LEU  36           HG       LEU  36 -15.970  -7.850  15.567
  278   HD11  LEU  36          HD11      LEU  36 -16.803  -4.955  16.071
  279   HD12  LEU  36          HD12      LEU  36 -17.669  -6.401  16.627
  280   HD13  LEU  36          HD13      LEU  36 -16.063  -6.027  17.268
  281   HD21  LEU  36          HD21      LEU  36 -17.958  -7.082  14.297
  282   HD22  LEU  36          HD22      LEU  36 -17.012  -5.723  13.656
  283   HD23  LEU  36          HD23      LEU  36 -16.570  -7.400  13.250
  284    H    ALA  37           H        ALA  37 -13.649  -8.278  17.931
  285    HA   ALA  37           HA       ALA  37 -12.617 -10.697  16.635
  286    HB1  ALA  37           HB1      ALA  37 -12.132 -10.240  18.998
  287    HB2  ALA  37           HB2      ALA  37 -13.871 -10.203  19.376
  288    HB3  ALA  37           HB3      ALA  37 -13.102 -11.720  18.853
  289    HA   PRO  38           HA       PRO  38 -16.358 -11.758  14.754
  290    HB2  PRO  38           HB2      PRO  38 -16.190 -14.488  14.394
  291    HB3  PRO  38           HB3      PRO  38 -15.153 -13.300  13.549
  292    HG2  PRO  38           HG2      PRO  38 -14.527 -14.856  16.084
  293    HG3  PRO  38           HG3      PRO  38 -13.511 -14.685  14.612
  294    HD2  PRO  38           HD2      PRO  38 -13.102 -13.111  16.775
  295    HD3  PRO  38           HD3      PRO  38 -12.978 -12.436  15.121
  296    HA   PRO  39           HA       PRO  39 -19.451 -12.924  17.666
  297    HB2  PRO  39           HB2      PRO  39 -21.624 -13.473  16.098
  298    HB3  PRO  39           HB3      PRO  39 -20.903 -11.846  16.195
  299    HG2  PRO  39           HG2      PRO  39 -20.439 -13.951  14.074
  300    HG3  PRO  39           HG3      PRO  39 -20.776 -12.201  13.854
  301    HD2  PRO  39           HD2      PRO  39 -18.242 -13.266  13.795
  302    HD3  PRO  39           HD3      PRO  39 -18.582 -11.615  14.385
  303    H    SER  40           H        SER  40 -18.189 -15.397  15.631
  304    HA   SER  40           HA       SER  40 -19.345 -17.499  17.370
  305    HB2  SER  40           HB2      SER  40 -20.753 -17.295  15.300
  306    HB3  SER  40           HB3      SER  40 -19.318 -17.723  14.349
  307    HG   SER  40           HG       SER  40 -20.629 -19.549  14.876
  308    H    GLU  41           H        GLU  41 -18.118 -19.394  17.459
  309    HA   GLU  41           HA       GLU  41 -15.308 -18.963  17.526
  310    HB2  GLU  41           HB2      GLU  41 -15.202 -21.256  18.375
  311    HB3  GLU  41           HB3      GLU  41 -16.466 -20.315  19.147
  312    HG2  GLU  41           HG2      GLU  41 -17.969 -21.488  17.199
  313    HG3  GLU  41           HG3      GLU  41 -16.685 -22.685  17.317
  314    H    TYR  42           H        TYR  42 -13.584 -19.832  16.426
  315    HA   TYR  42           HA       TYR  42 -13.981 -20.496  13.643
  316    HB2  TYR  42           HB2      TYR  42 -11.495 -20.699  13.625
  317    HB3  TYR  42           HB3      TYR  42 -12.143 -19.157  14.134
  318    HD1  TYR  42           HD2      TYR  42 -10.651 -22.344  15.453
  319    HD2  TYR  42           HD1      TYR  42 -11.394 -18.150  16.121
  320    HE1  TYR  42           HE2      TYR  42  -9.136 -22.395  17.417
  321    HE2  TYR  42           HE1      TYR  42  -9.880 -18.198  18.097
  322    HH   TYR  42           HH       TYR  42  -8.197 -21.189  19.126
  323    HA   PRO  43           HA       PRO  43 -14.230 -24.836  13.456
  324    HB2  PRO  43           HB2      PRO  43 -11.770 -24.882  11.694
  325    HB3  PRO  43           HB3      PRO  43 -13.350 -25.701  11.450
  326    HG2  PRO  43           HG2      PRO  43 -12.800 -23.412  10.121
  327    HG3  PRO  43           HG3      PRO  43 -14.413 -23.629  10.885
  328    HD2  PRO  43           HD2      PRO  43 -12.024 -22.094  11.928
  329    HD3  PRO  43           HD3      PRO  43 -13.746 -21.612  11.883
  330    H    GLY  44           H        GLY  44 -13.569 -26.688  14.508
  331    HA2  GLY  44           HA2      GLY  44 -12.152 -28.177  15.613
  332    HA3  GLY  44           HA3      GLY  44 -10.824 -26.983  15.558
  333    H    ALA  45           H        ALA  45 -13.081 -25.110  16.694
  334    HA   ALA  45           HA       ALA  45 -12.393 -25.367  19.503
  335    HB1  ALA  45           HB1      ALA  45 -12.753 -23.187  18.372
  336    HB2  ALA  45           HB2      ALA  45 -14.464 -23.611  18.129
  337    HB3  ALA  45           HB3      ALA  45 -13.824 -23.390  19.770
  338    H    GLY  46           H        GLY  46 -14.121 -25.243  21.212
  339    HA2  GLY  46           HA2      GLY  46 -16.160 -25.917  22.178
  340    HA3  GLY  46           HA3      GLY  46 -16.563 -26.852  20.726
  341    H    SER  47           H        SER  47 -13.425 -27.247  22.320
  342    HA   SER  47           HA       SER  47 -14.251 -29.570  23.903
  343    HB2  SER  47           HB2      SER  47 -14.034 -30.446  21.542
  344    HB3  SER  47           HB3      SER  47 -12.331 -29.958  21.565
  345    HG   SER  47           HG       SER  47 -12.691 -32.178  22.150
  346    H    SER  48           H        SER  48 -12.290 -30.504  25.080
  347    HA   SER  48           HA       SER  48 -11.142 -28.463  26.579
  348    HB2  SER  48           HB2      SER  48 -10.107 -31.308  26.288
  349    HB3  SER  48           HB3      SER  48  -9.855 -30.222  27.664
  350    HG   SER  48           HG       SER  48 -11.568 -31.697  28.048
  351    H    SER  49           H        SER  49  -9.818 -29.730  23.600
  352    HA   SER  49           HA       SER  49  -7.091 -28.738  24.000
  353    HB2  SER  49           HB2      SER  49  -6.909 -29.286  21.570
  354    HB3  SER  49           HB3      SER  49  -7.463 -30.635  22.573
  355    HG   SER  49           HG       SER  49  -8.706 -30.399  20.643
  356    H    VAL  50           H        VAL  50 -10.112 -27.286  22.940
  357    HA   VAL  50           HA       VAL  50  -8.849 -24.711  22.324
  358    HB   VAL  50           HB       VAL  50 -10.386 -26.147  20.109
  359   HG11  VAL  50          HG11      VAL  50 -10.832 -23.676  20.203
  360   HG12  VAL  50          HG12      VAL  50  -9.084 -23.383  20.113
  361   HG13  VAL  50          HG13      VAL  50  -9.944 -24.150  18.758
  362   HG21  VAL  50          HG21      VAL  50  -8.346 -25.918  18.729
  363   HG22  VAL  50          HG22      VAL  50  -7.448 -25.355  20.155
  364   HG23  VAL  50          HG23      VAL  50  -8.105 -27.012  20.087
  365    H    PHE  51           H        PHE  51 -10.092 -23.554  23.648
  366    HA   PHE  51           HA       PHE  51 -13.021 -23.454  23.175
  367    HB2  PHE  51           HB2      PHE  51 -12.409 -25.217  24.932
  368    HB3  PHE  51           HB3      PHE  51 -11.874 -23.900  25.957
  369    HD1  PHE  51           HD1      PHE  51 -14.795 -25.398  24.192
  370    HD2  PHE  51           HD2      PHE  51 -13.512 -22.569  27.188
  371    HE1  PHE  51           HE1      PHE  51 -17.144 -25.145  24.965
  372    HE2  PHE  51           HE2      PHE  51 -15.859 -22.327  27.959
  373    HZ   PHE  51           HZ       PHE  51 -17.682 -23.614  26.852
  374    H    SER  52           H        SER  52 -10.120 -21.816  24.271
  375    HA   SER  52           HA       SER  52 -11.497 -19.471  25.342
  376    HB2  SER  52           HB2      SER  52  -9.224 -20.266  26.045
  377    HB3  SER  52           HB3      SER  52  -8.597 -19.705  24.484
  378    HG   SER  52           HG       SER  52  -8.403 -18.119  26.148
  379    H    VAL  53           H        VAL  53 -12.987 -19.175  23.543
  380    HA   VAL  53           HA       VAL  53 -12.020 -17.225  21.570
  381    HB   VAL  53           HB       VAL  53 -11.552 -19.278  20.382
  382   HG11  VAL  53          HG11      VAL  53 -14.462 -20.096  20.748
  383   HG12  VAL  53          HG12      VAL  53 -13.248 -20.921  19.756
  384   HG13  VAL  53          HG13      VAL  53 -13.052 -20.875  21.505
  385   HG21  VAL  53          HG21      VAL  53 -12.429 -17.390  19.057
  386   HG22  VAL  53          HG22      VAL  53 -12.867 -18.960  18.357
  387   HG23  VAL  53          HG23      VAL  53 -14.081 -18.031  19.237
  388    H    LEU  54           H        LEU  54 -13.568 -15.823  20.875
  389    HA   LEU  54           HA       LEU  54 -15.928 -15.527  22.478
  390    HB2  LEU  54           HB2      LEU  54 -14.542 -13.671  21.601
  391    HB3  LEU  54           HB3      LEU  54 -14.976 -14.108  19.948
  392    HG   LEU  54           HG       LEU  54 -17.332 -13.489  20.377
  393   HD11  LEU  54          HD11      LEU  54 -17.539 -13.947  22.788
  394   HD12  LEU  54          HD12      LEU  54 -16.333 -12.698  23.155
  395   HD13  LEU  54          HD13      LEU  54 -17.912 -12.250  22.471
  396   HD21  LEU  54          HD21      LEU  54 -16.921 -11.035  20.604
  397   HD22  LEU  54          HD22      LEU  54 -15.272 -11.373  21.162
  398   HD23  LEU  54          HD23      LEU  54 -15.767 -11.811  19.513
  399    H    SER  55           H        SER  55 -18.014 -16.148  22.125
  400    HA   SER  55           HA       SER  55 -19.048 -16.757  19.459
  401    HB2  SER  55           HB2      SER  55 -17.662 -18.791  20.284
  402    HB3  SER  55           HB3      SER  55 -18.985 -19.074  21.409
  403    HG   SER  55           HG       SER  55 -19.271 -20.239  19.502
  404    H    ASN  56           H        ASN  56 -20.649 -15.325  19.792
  405    HA   ASN  56           HA       ASN  56 -23.022 -15.744  21.242
  406    HB2  ASN  56           HB2      ASN  56 -21.699 -15.400  23.328
  407    HB3  ASN  56           HB3      ASN  56 -21.037 -13.903  22.657
  408   HD21  ASN  56          HD22      ASN  56 -24.040 -15.456  23.870
  409   HD22  ASN  56          HD21      ASN  56 -24.853 -13.937  24.200
  410    H    SER  57           H        SER  57 -20.716 -13.082  20.586
  411    HA   SER  57           HA       SER  57 -22.283 -11.767  18.574
  412    HB2  SER  57           HB2      SER  57 -22.605  -9.655  19.892
  413    HB3  SER  57           HB3      SER  57 -23.620 -10.988  20.446
  414    HG   SER  57           HG       SER  57 -22.430 -11.203  22.251
  415    H    ALA  58           H        ALA  58 -21.071  -9.723  17.834
  416    HA   ALA  58           HA       ALA  58 -18.183 -10.391  17.886
  417    HB1  ALA  58           HB1      ALA  58 -18.086  -8.889  15.961
  418    HB2  ALA  58           HB2      ALA  58 -19.444  -9.996  15.730
  419    HB3  ALA  58           HB3      ALA  58 -19.751  -8.329  16.253
  420    H    GLU  59           H        GLU  59 -16.618  -9.027  18.829
  421    HA   GLU  59           HA       GLU  59 -17.565  -6.514  20.150
  422    HB2  GLU  59           HB2      GLU  59 -17.806  -8.376  21.772
  423    HB3  GLU  59           HB3      GLU  59 -16.077  -8.733  21.602
  424    HG2  GLU  59           HG2      GLU  59 -15.490  -6.526  22.497
  425    HG3  GLU  59           HG3      GLU  59 -17.182  -6.042  22.534
  426    H    VAL  60           H        VAL  60 -16.017  -4.906  20.197
  427    HA   VAL  60           HA       VAL  60 -13.568  -5.377  18.653
  428    HB   VAL  60           HB       VAL  60 -14.441  -2.841  20.028
  429   HG11  VAL  60          HG11      VAL  60 -12.884  -1.749  18.433
  430   HG12  VAL  60          HG12      VAL  60 -12.005  -2.929  19.408
  431   HG13  VAL  60          HG13      VAL  60 -12.458  -3.330  17.744
  432   HG21  VAL  60          HG21      VAL  60 -14.862  -3.718  17.130
  433   HG22  VAL  60          HG22      VAL  60 -16.141  -3.500  18.344
  434   HG23  VAL  60          HG23      VAL  60 -15.216  -2.105  17.782
  435    H    LYS  61           H        LYS  61 -11.787  -6.084  19.438
  436    HA   LYS  61           HA       LYS  61 -10.956  -5.694  22.295
  437    HB2  LYS  61           HB2      LYS  61 -10.627  -7.917  20.256
  438    HB3  LYS  61           HB3      LYS  61  -9.378  -7.693  21.463
  439    HG2  LYS  61           HG2      LYS  61 -10.770  -9.362  22.264
  440    HG3  LYS  61           HG3      LYS  61 -11.040  -7.945  23.281
  441    HD2  LYS  61           HD2      LYS  61 -13.228  -7.558  22.281
  442    HD3  LYS  61           HD3      LYS  61 -12.863  -8.670  20.959
  443    HE2  LYS  61           HE2      LYS  61 -14.328  -9.848  22.434
  444    HE3  LYS  61           HE3      LYS  61 -12.724 -10.571  22.584
  445    HZ1  LYS  61           HZ1      LYS  61 -12.459  -9.177  24.647
  446    HZ2  LYS  61           HZ2      LYS  61 -14.047  -8.717  24.495
  447    HZ3  LYS  61           HZ3      LYS  61 -13.662 -10.279  24.755
  448    H    ARG  62           H        ARG  62  -8.484  -5.841  22.480
  449    HA   ARG  62           HA       ARG  62  -6.942  -4.780  20.247
  450    HB2  ARG  62           HB2      ARG  62  -6.006  -2.871  21.367
  451    HB3  ARG  62           HB3      ARG  62  -7.769  -2.731  21.383
  452    HG2  ARG  62           HG2      ARG  62  -7.833  -3.444  23.740
  453    HG3  ARG  62           HG3      ARG  62  -6.070  -3.620  23.755
  454    HD2  ARG  62           HD2      ARG  62  -5.755  -1.254  23.310
  455    HD3  ARG  62           HD3      ARG  62  -7.509  -1.010  23.154
  456    HE   ARG  62           HE       ARG  62  -7.036  -2.187  25.678
  457   HH11  ARG  62          HH11      ARG  62  -6.316   0.922  24.133
  458   HH12  ARG  62          HH12      ARG  62  -6.350   1.775  25.647
  459   HH21  ARG  62          HH21      ARG  62  -7.026  -1.028  27.588
  460   HH22  ARG  62          HH22      ARG  62  -6.733   0.683  27.576
  461    H    GLU  63           H        GLU  63  -4.740  -5.085  20.406
  462    HA   GLU  63           HA       GLU  63  -3.089  -5.705  22.513
  463    HB2  GLU  63           HB2      GLU  63  -2.650  -8.089  22.418
  464    HB3  GLU  63           HB3      GLU  63  -4.245  -7.764  23.005
  465    HG2  GLU  63           HG2      GLU  63  -5.098  -8.255  20.626
  466    HG3  GLU  63           HG3      GLU  63  -3.466  -8.840  20.276
  467    H    ARG  64           H        ARG  64  -1.197  -7.446  21.287
  468    HA   ARG  64           HA       ARG  64  -0.233  -5.716  19.141
  469    HB2  ARG  64           HB2      ARG  64   0.900  -8.267  20.318
  470    HB3  ARG  64           HB3      ARG  64   1.636  -7.365  18.993
  471    HG2  ARG  64           HG2      ARG  64   1.784  -5.344  20.463
  472    HG3  ARG  64           HG3      ARG  64   1.247  -6.355  21.832
  473    HD2  ARG  64           HD2      ARG  64   3.142  -7.910  21.407
  474    HD3  ARG  64           HD3      ARG  64   3.638  -6.917  20.019
  475    HE   ARG  64           HE       ARG  64   3.549  -5.332  22.411
  476   HH11  ARG  64          HH11      ARG  64   5.545  -7.758  20.746
  477   HH12  ARG  64          HH12      ARG  64   7.009  -7.207  21.523
  478   HH21  ARG  64          HH21      ARG  64   5.469  -4.682  23.375
  479   HH22  ARG  64          HH22      ARG  64   6.964  -5.488  23.000
  480    H    LEU  65           H        LEU  65   0.210  -6.258  17.026
  481    HA   LEU  65           HA       LEU  65  -1.643  -7.827  15.557
  482    HB2  LEU  65           HB2      LEU  65  -0.279  -5.987  14.614
  483    HB3  LEU  65           HB3      LEU  65   1.192  -6.923  14.863
  484    HG   LEU  65           HG       LEU  65   0.389  -8.627  13.221
  485   HD11  LEU  65          HD11      LEU  65  -1.923  -6.690  12.749
  486   HD12  LEU  65          HD12      LEU  65  -1.532  -8.104  11.753
  487   HD13  LEU  65          HD13      LEU  65  -2.066  -8.325  13.422
  488   HD21  LEU  65          HD21      LEU  65   0.687  -7.207  11.221
  489   HD22  LEU  65          HD22      LEU  65   0.419  -5.757  12.214
  490   HD23  LEU  65          HD23      LEU  65   1.841  -6.784  12.498
  491    H    GLU  66           H        GLU  66   1.702  -8.706  16.586
  492    HA   GLU  66           HA       GLU  66   1.743 -11.283  15.515
  493    HB2  GLU  66           HB2      GLU  66   3.585 -11.749  16.958
  494    HB3  GLU  66           HB3      GLU  66   3.693 -10.070  16.431
  495    HG2  GLU  66           HG2      GLU  66   2.697  -9.379  18.655
  496    HG3  GLU  66           HG3      GLU  66   2.775 -11.065  19.169
  497    H    ASP  67           H        ASP  67   0.114 -10.284  18.535
  498    HA   ASP  67           HA       ASP  67  -0.500 -13.053  19.321
  499    HB2  ASP  67           HB2      ASP  67  -1.447 -10.343  20.324
  500    HB3  ASP  67           HB3      ASP  67  -2.046 -11.882  20.937
  501    H    VAL  68           H        VAL  68  -2.236 -10.338  17.727
  502    HA   VAL  68           HA       VAL  68  -4.708 -11.704  17.364
  503    HB   VAL  68           HB       VAL  68  -3.459  -9.476  15.726
  504   HG11  VAL  68          HG11      VAL  68  -5.746  -9.091  14.790
  505   HG12  VAL  68          HG12      VAL  68  -5.024 -10.597  14.230
  506   HG13  VAL  68          HG13      VAL  68  -6.273 -10.636  15.496
  507   HG21  VAL  68          HG21      VAL  68  -5.254  -8.150  16.896
  508   HG22  VAL  68          HG22      VAL  68  -5.646  -9.592  17.849
  509   HG23  VAL  68          HG23      VAL  68  -4.051  -8.823  18.000
  510    H    VAL  69           H        VAL  69  -1.843 -11.580  15.133
  511    HA   VAL  69           HA       VAL  69  -3.079 -13.231  13.156
  512    HB   VAL  69           HB       VAL  69  -0.840 -13.378  12.183
  513   HG11  VAL  69          HG11      VAL  69  -2.172 -11.473  11.613
  514   HG12  VAL  69          HG12      VAL  69  -1.637 -10.602  13.066
  515   HG13  VAL  69          HG13      VAL  69  -0.485 -10.963  11.773
  516   HG21  VAL  69          HG21      VAL  69   0.736 -13.627  13.814
  517   HG22  VAL  69          HG22      VAL  69   1.022 -11.981  13.231
  518   HG23  VAL  69          HG23      VAL  69   0.117 -12.262  14.737
  519    H    GLY  70           H        GLY  70  -0.836 -14.044  15.892
  520    HA2  GLY  70           HA2      GLY  70  -0.211 -16.111  16.754
  521    HA3  GLY  70           HA3      GLY  70  -1.640 -16.816  15.976
  522    H    GLY  71           H        GLY  71  -1.195 -18.324  14.509
  523    HA2  GLY  71           HA2      GLY  71   1.388 -18.382  13.018
  524    HA3  GLY  71           HA3      GLY  71   0.164 -19.671  13.110
  525    H    CYS  72           H        CYS  72  -1.621 -16.952  12.473
  526    HA   CYS  72           HA       CYS  72  -2.116 -17.868   9.764
  527    HB2  CYS  72           HB2      CYS  72  -3.343 -15.512  11.285
  528    HB3  CYS  72           HB3      CYS  72  -4.003 -16.278   9.852
  529    HG   CYS  72           HG       CYS  72  -4.279 -18.702  10.889
  530    H    CYS  73           H        CYS  73  -2.256 -16.604   7.896
  531    HA   CYS  73           HA       CYS  73  -0.183 -14.608   7.433
  532    HB2  CYS  73           HB2      CYS  73  -2.503 -15.624   5.711
  533    HB3  CYS  73           HB3      CYS  73  -1.192 -14.582   5.141
  534    HG   CYS  73           HG       CYS  73  -0.776 -17.059   4.307
  535    H    TYR  74           H        TYR  74  -0.700 -12.534   6.380
  536    HA   TYR  74           HA       TYR  74  -3.327 -11.391   6.685
  537    HB2  TYR  74           HB2      TYR  74  -2.832  -9.560   8.125
  538    HB3  TYR  74           HB3      TYR  74  -2.348 -11.011   8.972
  539    HD1  TYR  74           HD2      TYR  74  -1.196  -7.940   7.267
  540    HD2  TYR  74           HD1      TYR  74   0.040 -11.441   9.456
  541    HE1  TYR  74           HE2      TYR  74   0.994  -6.870   7.717
  542    HE2  TYR  74           HE1      TYR  74   2.247 -10.382   9.906
  543    HH   TYR  74           HH       TYR  74   3.535  -8.509   9.639
  544    H    ARG  75           H        ARG  75  -3.484  -9.233   5.717
  545    HA   ARG  75           HA       ARG  75  -1.234  -8.297   3.998
  546    HB2  ARG  75           HB2      ARG  75  -4.081  -8.863   3.020
  547    HB3  ARG  75           HB3      ARG  75  -2.874  -7.977   2.092
  548    HG2  ARG  75           HG2      ARG  75  -2.688 -10.912   2.885
  549    HG3  ARG  75           HG3      ARG  75  -3.118 -10.267   1.302
  550    HD2  ARG  75           HD2      ARG  75  -0.876  -9.203   1.113
  551    HD3  ARG  75           HD3      ARG  75  -0.442  -9.886   2.685
  552    HE   ARG  75           HE       ARG  75  -1.371 -11.852   0.735
  553   HH11  ARG  75          HH11      ARG  75   1.518 -10.213   1.991
  554   HH12  ARG  75          HH12      ARG  75   2.583 -11.427   1.339
  555   HH21  ARG  75          HH21      ARG  75   0.066 -13.392  -0.032
  556   HH22  ARG  75          HH22      ARG  75   1.773 -13.202   0.217
  557    H    VAL  76           H        VAL  76  -1.810  -6.032   3.101
  558    HA   VAL  76           HA       VAL  76  -3.672  -4.564   4.963
  559    HB   VAL  76           HB       VAL  76  -1.272  -3.433   3.485
  560   HG11  VAL  76          HG11      VAL  76  -3.405  -2.106   5.236
  561   HG12  VAL  76          HG12      VAL  76  -1.900  -1.319   4.696
  562   HG13  VAL  76          HG13      VAL  76  -3.112  -1.788   3.515
  563   HG21  VAL  76          HG21      VAL  76  -1.862  -3.813   6.458
  564   HG22  VAL  76          HG22      VAL  76  -0.651  -4.703   5.509
  565   HG23  VAL  76          HG23      VAL  76  -0.450  -2.970   5.785
  566    H    ASN  77           H        ASN  77  -5.444  -3.762   4.077
  567    HA   ASN  77           HA       ASN  77  -5.773  -4.016   1.121
  568    HB2  ASN  77           HB2      ASN  77  -7.140  -5.329   2.821
  569    HB3  ASN  77           HB3      ASN  77  -7.966  -3.817   3.192
  570   HD21  ASN  77          HD22      ASN  77  -8.667  -6.545   1.712
  571   HD22  ASN  77          HD21      ASN  77  -9.462  -5.957   0.259
  572    H    ASN  78           H        ASN  78  -6.693  -1.784   3.725
  573    HA   ASN  78           HA       ASN  78  -7.697   0.309   3.676
  574    HB2  ASN  78           HB2      ASN  78  -5.216   0.662   1.987
  575    HB3  ASN  78           HB3      ASN  78  -6.280   2.011   2.330
  576   HD21  ASN  78          HD22      ASN  78  -5.890   3.199   4.193
  577   HD22  ASN  78          HD21      ASN  78  -4.936   2.563   5.516
  578    H    SER  79           H        SER  79  -9.274  -1.347   2.299
  579    HA   SER  79           HA       SER  79  -9.945  -0.846  -0.352
  580    HB2  SER  79           HB2      SER  79 -12.248  -1.646   0.372
  581    HB3  SER  79           HB3      SER  79 -10.897  -2.705   0.786
  582    HG   SER  79           HG       SER  79 -12.306  -2.418   2.565
  583    H    LEU  80           H        LEU  80 -11.702   0.625   2.398
  584    HA   LEU  80           HA       LEU  80 -13.213   2.404   0.739
  585    HB2  LEU  80           HB2      LEU  80 -12.550   2.544   3.712
  586    HB3  LEU  80           HB3      LEU  80 -13.730   3.583   2.913
  587    HG   LEU  80           HG       LEU  80 -13.925   0.540   3.060
  588   HD11  LEU  80          HD11      LEU  80 -15.449   2.705   4.578
  589   HD12  LEU  80          HD12      LEU  80 -15.732   0.951   4.662
  590   HD13  LEU  80          HD13      LEU  80 -14.210   1.625   5.259
  591   HD21  LEU  80          HD21      LEU  80 -16.268   0.926   2.258
  592   HD22  LEU  80          HD22      LEU  80 -15.870   2.639   1.998
  593   HD23  LEU  80          HD23      LEU  80 -15.065   1.373   1.044
  594    H    ASP  81           H        ASP  81 -10.053   2.867   2.173
  595    HA   ASP  81           HA       ASP  81  -9.791   5.673   1.505
  596    HB2  ASP  81           HB2      ASP  81  -7.869   3.394   1.972
  597    HB3  ASP  81           HB3      ASP  81  -7.291   4.979   1.456
  598    H    HIS  82           H        HIS  82  -8.793   2.649  -0.217
  599    HA   HIS  82           HA       HIS  82  -7.890   3.928  -2.600
  600    HB2  HIS  82           HB2      HIS  82  -7.383   1.605  -1.841
  601    HB3  HIS  82           HB3      HIS  82  -9.045   1.135  -2.190
  602    HD1  HIS  82           HD1      HIS  82  -5.819   2.163  -4.044
  603    HD2  HIS  82           HD2      HIS  82  -9.655   0.572  -4.718
  604    HE1  HIS  82           HE1      HIS  82  -5.837   1.353  -6.456
  605    H    GLU  83           H        GLU  83 -11.193   3.108  -1.595
  606    HA   GLU  83           HA       GLU  83 -12.429   3.398  -4.149
  607    HB2  GLU  83           HB2      GLU  83 -13.486   3.567  -1.332
  608    HB3  GLU  83           HB3      GLU  83 -14.515   3.847  -2.731
  609    HG2  GLU  83           HG2      GLU  83 -12.936   1.287  -2.331
  610    HG3  GLU  83           HG3      GLU  83 -14.605   1.520  -1.820
  611    H    TYR  84           H        TYR  84 -11.577   5.881  -1.763
  612    HA   TYR  84           HA       TYR  84 -12.285   7.998  -3.701
  613    HB2  TYR  84           HB2      TYR  84 -13.644   8.732  -1.262
  614    HB3  TYR  84           HB3      TYR  84 -14.246   8.658  -2.896
  615    HD1  TYR  84           HD2      TYR  84 -13.752   6.738   0.253
  616    HD2  TYR  84           HD1      TYR  84 -15.853   6.964  -3.501
  617    HE1  TYR  84           HE2      TYR  84 -15.299   4.977   1.034
  618    HE2  TYR  84           HE1      TYR  84 -17.431   5.201  -2.717
  619    HH   TYR  84           HH       TYR  84 -17.140   3.684   0.516
  620    H    GLN  85           H        GLN  85 -10.286   7.220  -1.052
  621    HA   GLN  85           HA       GLN  85 -10.534   9.940   0.162
  622    HB2  GLN  85           HB2      GLN  85 -12.265   8.633   0.996
  623    HB3  GLN  85           HB3      GLN  85 -11.333   7.149   0.949
  624    HG2  GLN  85           HG2      GLN  85 -10.019   7.884   2.924
  625    HG3  GLN  85           HG3      GLN  85 -11.045   9.334   3.031
  626   HE21  GLN  85          HE22      GLN  85 -10.797   5.887   3.757
  627   HE22  GLN  85          HE21      GLN  85 -12.486   5.711   4.277
  628    HA   PRO  86           HA       PRO  86  -6.259   9.067   1.526
  629    HB2  PRO  86           HB2      PRO  86  -5.611  11.517   2.511
  630    HB3  PRO  86           HB3      PRO  86  -5.634  11.135   0.762
  631    HG2  PRO  86           HG2      PRO  86  -7.727  12.582   2.393
  632    HG3  PRO  86           HG3      PRO  86  -7.131  12.962   0.753
  633    HD2  PRO  86           HD2      PRO  86  -9.476  11.568   1.263
  634    HD3  PRO  86           HD3      PRO  86  -8.512  11.376  -0.232
  635    H    ARG  87           H        ARG  87  -8.587  10.910   3.480
  636    HA   ARG  87           HA       ARG  87  -9.271  10.989   5.537
  637    HB2  ARG  87           HB2      ARG  87  -9.039   8.284   4.879
  638    HB3  ARG  87           HB3      ARG  87  -8.467   8.346   6.525
  639    HG2  ARG  87           HG2      ARG  87 -11.114   9.516   5.531
  640    HG3  ARG  87           HG3      ARG  87 -10.940   7.902   6.175
  641    HD2  ARG  87           HD2      ARG  87 -11.414   8.635   8.191
  642    HD3  ARG  87           HD3      ARG  87  -9.887   9.540   8.218
  643    HE   ARG  87           HE       ARG  87 -11.759  11.136   6.839
  644   HH11  ARG  87          HH11      ARG  87 -11.587   9.825  10.133
  645   HH12  ARG  87          HH12      ARG  87 -12.365  11.222  10.811
  646   HH21  ARG  87          HH21      ARG  87 -12.683  12.955   7.825
  647   HH22  ARG  87          HH22      ARG  87 -12.925  12.968   9.536
  648    HA   PRO  88           HA       PRO  88  -5.728  12.109   8.215
  649    HB2  PRO  88           HB2      PRO  88  -7.130  13.198  10.306
  650    HB3  PRO  88           HB3      PRO  88  -6.847  14.043   8.759
  651    HG2  PRO  88           HG2      PRO  88  -9.299  12.422   9.544
  652    HG3  PRO  88           HG3      PRO  88  -9.243  14.108   8.911
  653    HD2  PRO  88           HD2      PRO  88  -9.713  12.103   7.212
  654    HD3  PRO  88           HD3      PRO  88  -8.550  13.360   6.760
  655    H    VAL  89           H        VAL  89  -4.991  10.020   8.664
  656    HA   VAL  89           HA       VAL  89  -6.621   8.144   9.978
  657    HB   VAL  89           HB       VAL  89  -4.440   7.953   8.419
  658   HG11  VAL  89          HG11      VAL  89  -3.400   6.841  11.062
  659   HG12  VAL  89          HG12      VAL  89  -2.621   6.800   9.473
  660   HG13  VAL  89          HG13      VAL  89  -2.827   8.347  10.300
  661   HG21  VAL  89          HG21      VAL  89  -4.727   5.561   8.586
  662   HG22  VAL  89          HG22      VAL  89  -5.597   5.726  10.145
  663   HG23  VAL  89          HG23      VAL  89  -6.277   6.366   8.629
  664    H    GLU  90           H        GLU  90  -4.674  10.522  11.509
  665    HA   GLU  90           HA       GLU  90  -4.393   9.272  14.098
  666    HB2  GLU  90           HB2      GLU  90  -4.875  12.222  13.494
  667    HB3  GLU  90           HB3      GLU  90  -4.233  11.529  14.986
  668    HG2  GLU  90           HG2      GLU  90  -2.298  10.604  13.611
  669    HG3  GLU  90           HG3      GLU  90  -2.923  11.552  12.246
  670    H    VAL  91           H        VAL  91  -7.100  10.923  12.478
  671    HA   VAL  91           HA       VAL  91  -8.823  10.894  14.825
  672    HB   VAL  91           HB       VAL  91  -9.611  11.263  11.917
  673   HG11  VAL  91          HG11      VAL  91 -11.553  12.505  12.864
  674   HG12  VAL  91          HG12      VAL  91 -11.571  10.796  13.310
  675   HG13  VAL  91          HG13      VAL  91 -11.051  12.012  14.494
  676   HG21  VAL  91          HG21      VAL  91  -7.911  12.946  12.553
  677   HG22  VAL  91          HG22      VAL  91  -9.502  13.695  12.394
  678   HG23  VAL  91          HG23      VAL  91  -8.843  13.348  14.009
  679    H    ILE  92           H        ILE  92  -8.289   8.705  12.054
  680    HA   ILE  92           HA       ILE  92 -10.362   6.779  12.743
  681    HB   ILE  92           HB       ILE  92  -7.776   6.639  11.150
  682   HG12  ILE  92          HG12      ILE  92 -10.649   6.258  10.239
  683   HG13  ILE  92          HG13      ILE  92  -9.968   7.871  10.394
  684   HG21  ILE  92          HG21      ILE  92  -8.066   4.375  12.055
  685   HG22  ILE  92          HG22      ILE  92  -9.767   4.372  11.544
  686   HG23  ILE  92          HG23      ILE  92  -8.464   4.392  10.348
  687   HD11  ILE  92          HD11      ILE  92  -9.874   6.854   8.078
  688   HD12  ILE  92          HD12      ILE  92  -8.345   7.511   8.709
  689   HD13  ILE  92          HD13      ILE  92  -8.638   5.755   8.668
  690    H    ILE  93           H        ILE  93  -6.910   6.982  13.714
  691    HA   ILE  93           HA       ILE  93  -7.010   4.689  15.492
  692    HB   ILE  93           HB       ILE  93  -5.197   7.122  15.283
  693   HG12  ILE  93          HG12      ILE  93  -4.736   4.173  14.612
  694   HG13  ILE  93          HG13      ILE  93  -5.216   5.371  13.433
  695   HG21  ILE  93          HG21      ILE  93  -5.083   6.413  17.618
  696   HG22  ILE  93          HG22      ILE  93  -4.866   4.720  17.139
  697   HG23  ILE  93          HG23      ILE  93  -3.607   5.930  16.809
  698   HD11  ILE  93          HD11      ILE  93  -3.127   6.643  13.833
  699   HD12  ILE  93          HD12      ILE  93  -2.575   5.360  14.942
  700   HD13  ILE  93          HD13      ILE  93  -2.842   4.991  13.240
  701    H    SER  94           H        SER  94  -7.765   8.116  16.002
  702    HA   SER  94           HA       SER  94  -8.319   7.905  18.817
  703    HB2  SER  94           HB2      SER  94  -9.531   9.838  16.801
  704    HB3  SER  94           HB3      SER  94  -9.537  10.007  18.559
  705    HG   SER  94           HG       SER  94  -7.278  10.045  16.803
  706    H    SER  95           H        SER  95 -10.515   7.625  15.964
  707    HA   SER  95           HA       SER  95 -12.882   6.897  17.330
  708    HB2  SER  95           HB2      SER  95 -11.792   6.142  14.595
  709    HB3  SER  95           HB3      SER  95 -13.422   5.728  15.150
  710    HG   SER  95           HG       SER  95 -13.310   7.683  13.904
  711    H    ALA  96           H        ALA  96 -10.150   4.795  16.219
  712    HA   ALA  96           HA       ALA  96 -11.347   2.328  17.002
  713    HB1  ALA  96           HB1      ALA  96  -9.109   1.439  16.742
  714    HB2  ALA  96           HB2      ALA  96  -9.362   2.645  15.479
  715    HB3  ALA  96           HB3      ALA  96  -8.384   3.051  16.905
  716    H    LYS  97           H        LYS  97  -9.204   4.516  18.868
  717    HA   LYS  97           HA       LYS  97  -9.320   3.005  21.314
  718    HB2  LYS  97           HB2      LYS  97  -8.730   5.928  20.722
  719    HB3  LYS  97           HB3      LYS  97  -8.611   5.213  22.339
  720    HG2  LYS  97           HG2      LYS  97  -7.007   3.514  21.484
  721    HG3  LYS  97           HG3      LYS  97  -7.031   4.279  19.894
  722    HD2  LYS  97           HD2      LYS  97  -6.086   5.564  22.494
  723    HD3  LYS  97           HD3      LYS  97  -5.059   4.934  21.203
  724    HE2  LYS  97           HE2      LYS  97  -6.061   6.599  19.615
  725    HE3  LYS  97           HE3      LYS  97  -7.014   7.267  20.953
  726    HZ1  LYS  97           HZ1      LYS  97  -4.973   8.536  20.615
  727    HZ2  LYS  97           HZ2      LYS  97  -4.934   7.831  22.085
  728    HZ3  LYS  97           HZ3      LYS  97  -4.043   7.215  20.858
  729    H    GLU  98           H        GLU  98 -11.736   5.170  19.908
  730    HA   GLU  98           HA       GLU  98 -13.342   5.125  22.349
  731    HB2  GLU  98           HB2      GLU  98 -13.934   6.130  19.547
  732    HB3  GLU  98           HB3      GLU  98 -15.108   6.135  20.863
  733    HG2  GLU  98           HG2      GLU  98 -13.544   7.521  22.237
  734    HG3  GLU  98           HG3      GLU  98 -12.435   7.601  20.871
  735    H    MET  99           H        MET  99 -13.271   3.373  19.253
  736    HA   MET  99           HA       MET  99 -15.695   1.885  19.747
  737    HB2  MET  99           HB2      MET  99 -13.469   1.578  17.701
  738    HB3  MET  99           HB3      MET  99 -14.814   0.451  17.832
  739    HG2  MET  99           HG2      MET  99 -16.269   2.713  17.776
  740    HG3  MET  99           HG3      MET  99 -14.838   3.309  16.945
  741    HE1  MET  99           HE1      MET  99 -17.801   0.056  15.521
  742    HE2  MET  99           HE2      MET  99 -16.708  -0.295  16.873
  743    HE3  MET  99           HE3      MET  99 -17.900   1.018  17.012
  744    H    VAL 100           H        VAL 100 -12.325   1.121  20.539
  745    HA   VAL 100           HA       VAL 100 -12.744  -1.625  21.063
  746    HB   VAL 100           HB       VAL 100 -10.545  -0.703  21.090
  747   HG11  VAL 100          HG11      VAL 100  -9.553   0.483  22.947
  748   HG12  VAL 100          HG12      VAL 100 -10.918   1.410  22.315
  749   HG13  VAL 100          HG13      VAL 100 -11.086   0.492  23.834
  750   HG21  VAL 100          HG21      VAL 100 -10.967  -2.881  22.130
  751   HG22  VAL 100          HG22      VAL 100  -9.631  -2.035  22.919
  752   HG23  VAL 100          HG23      VAL 100 -11.210  -2.102  23.710
  753    H    GLY 101           H        GLY 101 -13.892  -2.745  22.364
  754    HA2  GLY 101           HA2      GLY 101 -15.034  -3.340  24.360
  755    HA3  GLY 101           HA3      GLY 101 -15.128  -1.628  24.845
  756    H    GLN 102           H        GLN 102 -16.063  -1.437  21.686
  757    HA   GLN 102           HA       GLN 102 -18.937  -1.630  22.274
  758    HB2  GLN 102           HB2      GLN 102 -17.458  -0.961  19.687
  759    HB3  GLN 102           HB3      GLN 102 -19.191  -0.849  19.929
  760    HG2  GLN 102           HG2      GLN 102 -17.120   0.839  21.397
  761    HG3  GLN 102           HG3      GLN 102 -18.085   1.348  20.011
  762   HE21  GLN 102          HE22      GLN 102 -18.079   2.791  22.457
  763   HE22  GLN 102          HE21      GLN 102 -19.676   2.627  23.170
  764    H    LYS 103           H        LYS 103 -20.347  -2.910  21.083
  765    HA   LYS 103           HA       LYS 103 -19.314  -5.266  19.646
  766    HB2  LYS 103           HB2      LYS 103 -20.246  -6.802  21.219
  767    HB3  LYS 103           HB3      LYS 103 -19.348  -5.582  22.119
  768    HG2  LYS 103           HG2      LYS 103 -21.614  -4.417  22.521
  769    HG3  LYS 103           HG3      LYS 103 -22.343  -5.898  21.874
  770    HD2  LYS 103           HD2      LYS 103 -22.315  -6.241  24.227
  771    HD3  LYS 103           HD3      LYS 103 -20.934  -7.172  23.624
  772    HE2  LYS 103           HE2      LYS 103 -19.564  -4.957  24.108
  773    HE3  LYS 103           HE3      LYS 103 -20.969  -4.487  25.071
  774    HZ1  LYS 103           HZ1      LYS 103 -19.217  -6.853  25.452
  775    HZ2  LYS 103           HZ2      LYS 103 -19.388  -5.585  26.476
  776    HZ3  LYS 103           HZ3      LYS 103 -20.626  -6.643  26.301
  777    H    MET 104           H        MET 104 -20.881  -6.586  18.590
  778    HA   MET 104           HA       MET 104 -23.438  -5.300  17.753
  779    HB2  MET 104           HB2      MET 104 -21.106  -5.860  15.871
  780    HB3  MET 104           HB3      MET 104 -22.733  -5.391  15.369
  781    HG2  MET 104           HG2      MET 104 -22.479  -3.268  16.693
  782    HG3  MET 104           HG3      MET 104 -20.795  -3.687  16.977
  783    HE1  MET 104           HE1      MET 104 -19.184  -3.484  13.459
  784    HE2  MET 104           HE2      MET 104 -18.951  -3.823  15.190
  785    HE3  MET 104           HE3      MET 104 -19.873  -4.955  14.171
  786    H    LYS 105           H        LYS 105 -24.643  -6.653  16.196
  787    HA   LYS 105           HA       LYS 105 -23.937  -9.484  15.954
  788    HB2  LYS 105           HB2      LYS 105 -25.224  -8.749  18.322
  789    HB3  LYS 105           HB3      LYS 105 -26.590  -9.198  17.323
  790    HG2  LYS 105           HG2      LYS 105 -24.197 -10.896  18.083
  791    HG3  LYS 105           HG3      LYS 105 -25.855 -11.058  18.667
  792    HD2  LYS 105           HD2      LYS 105 -26.513 -11.660  16.262
  793    HD3  LYS 105           HD3      LYS 105 -24.780 -11.642  15.882
  794    HE2  LYS 105           HE2      LYS 105 -25.399 -13.910  16.225
  795    HE3  LYS 105           HE3      LYS 105 -24.360 -13.411  17.562
  796    HZ1  LYS 105           HZ1      LYS 105 -27.338 -13.571  17.699
  797    HZ2  LYS 105           HZ2      LYS 105 -26.314 -14.700  18.287
  798    HZ3  LYS 105           HZ3      LYS 105 -26.344 -13.215  18.958
  799    H    TYR 106           H        TYR 106 -26.606  -7.113  15.637
  800    HA   TYR 106           HA       TYR 106 -28.119  -8.743  13.823
  801    HB2  TYR 106           HB2      TYR 106 -28.448  -5.830  14.607
  802    HB3  TYR 106           HB3      TYR 106 -29.659  -6.834  13.813
  803    HD1  TYR 106           HD1      TYR 106 -30.405  -9.013  15.047
  804    HD2  TYR 106           HD2      TYR 106 -28.362  -5.742  16.977
  805    HE1  TYR 106           HE1      TYR 106 -31.208  -9.821  17.263
  806    HE2  TYR 106           HE2      TYR 106 -29.162  -6.535  19.188
  807    HH   TYR 106           HH       TYR 106 -30.388  -8.128  20.315
  808    H    SER 107           H        SER 107 -26.318  -9.064  12.279
  809    HA   SER 107           HA       SER 107 -26.836  -7.874   9.740
  810    HB2  SER 107           HB2      SER 107 -24.403  -6.864  11.255
  811    HB3  SER 107           HB3      SER 107 -24.348  -7.028   9.497
  812    HG   SER 107           HG       SER 107 -26.376  -5.594  10.871
  813    H    ILE 108           H        ILE 108 -25.196  -8.752   8.072
  814    HA   ILE 108           HA       ILE 108 -24.536 -11.557   8.579
  815    HB   ILE 108           HB       ILE 108 -23.697  -9.684   6.312
  816   HG12  ILE 108          HG12      ILE 108 -26.111  -9.789   6.336
  817   HG13  ILE 108          HG13      ILE 108 -25.489 -10.701   4.979
  818   HG21  ILE 108          HG21      ILE 108 -22.228 -11.601   6.312
  819   HG22  ILE 108          HG22      ILE 108 -23.588 -12.729   6.502
  820   HG23  ILE 108          HG23      ILE 108 -23.380 -11.797   5.001
  821   HD11  ILE 108          HD11      ILE 108 -26.574 -11.890   7.573
  822   HD12  ILE 108          HD12      ILE 108 -27.377 -11.863   5.997
  823   HD13  ILE 108          HD13      ILE 108 -25.914 -12.836   6.217
  824    H    VAL 109           H        VAL 109 -22.423 -12.464   8.941
  825    HA   VAL 109           HA       VAL 109 -20.858 -11.003  10.720
  826    HB   VAL 109           HB       VAL 109 -20.894 -13.438  10.611
  827   HG11  VAL 109          HG11      VAL 109 -19.461 -14.738   9.147
  828   HG12  VAL 109          HG12      VAL 109 -20.589 -13.801   8.165
  829   HG13  VAL 109          HG13      VAL 109 -18.894 -13.286   8.315
  830   HG21  VAL 109          HG21      VAL 109 -18.643 -13.802  11.390
  831   HG22  VAL 109          HG22      VAL 109 -18.050 -12.372  10.520
  832   HG23  VAL 109          HG23      VAL 109 -19.159 -12.171  11.875
  833    H    SER 110           H        SER 110 -20.125 -11.446   7.219
  834    HA   SER 110           HA       SER 110 -17.728  -9.928   7.123
  835    HB2  SER 110           HB2      SER 110 -19.918 -10.013   5.016
  836    HB3  SER 110           HB3      SER 110 -18.199  -9.659   4.769
  837    HG   SER 110           HG       SER 110 -18.690 -11.829   4.236
  838    H    ARG 111           H        ARG 111 -21.151  -8.825   7.005
  839    HA   ARG 111           HA       ARG 111 -20.366  -6.085   6.604
  840    HB2  ARG 111           HB2      ARG 111 -22.595  -7.139   5.904
  841    HB3  ARG 111           HB3      ARG 111 -23.088  -6.970   7.586
  842    HG2  ARG 111           HG2      ARG 111 -23.912  -5.056   6.389
  843    HG3  ARG 111           HG3      ARG 111 -22.580  -4.458   7.389
  844    HD2  ARG 111           HD2      ARG 111 -21.069  -4.497   5.449
  845    HD3  ARG 111           HD3      ARG 111 -22.349  -5.179   4.430
  846    HE   ARG 111           HE       ARG 111 -23.465  -2.869   5.432
  847   HH11  ARG 111          HH11      ARG 111 -20.470  -3.498   3.597
  848   HH12  ARG 111          HH12      ARG 111 -20.543  -1.940   2.821
  849   HH21  ARG 111          HH21      ARG 111 -23.450  -0.878   4.403
  850   HH22  ARG 111          HH22      ARG 111 -22.185  -0.481   3.282
  851    H    ASN 112           H        ASN 112 -20.974  -8.000   9.532
  852    HA   ASN 112           HA       ASN 112 -20.912  -5.804  11.409
  853    HB2  ASN 112           HB2      ASN 112 -19.964  -8.690  11.663
  854    HB3  ASN 112           HB3      ASN 112 -19.819  -7.523  12.967
  855   HD21  ASN 112          HD22      ASN 112 -22.247  -9.226  10.932
  856   HD22  ASN 112          HD21      ASN 112 -23.494  -9.105  12.154
  857    H    CYS 113           H        CYS 113 -18.183  -7.660   9.979
  858    HA   CYS 113           HA       CYS 113 -16.095  -6.075  11.168
  859    HB2  CYS 113           HB2      CYS 113 -16.205  -7.934   8.726
  860    HB3  CYS 113           HB3      CYS 113 -14.704  -7.288   9.416
  861    HG   CYS 113           HG       CYS 113 -15.022  -8.255  11.840
  862    H    GLU 114           H        GLU 114 -17.525  -5.896   7.852
  863    HA   GLU 114           HA       GLU 114 -16.086  -3.605   6.954
  864    HB2  GLU 114           HB2      GLU 114 -18.918  -4.528   6.356
  865    HB3  GLU 114           HB3      GLU 114 -18.125  -3.213   5.503
  866    HG2  GLU 114           HG2      GLU 114 -16.486  -4.664   4.537
  867    HG3  GLU 114           HG3      GLU 114 -16.945  -6.006   5.583
  868    H    HIS 115           H        HIS 115 -19.300  -3.713   8.657
  869    HA   HIS 115           HA       HIS 115 -19.633  -0.899   8.725
  870    HB2  HIS 115           HB2      HIS 115 -21.433  -2.571   9.005
  871    HB3  HIS 115           HB3      HIS 115 -20.777  -3.013  10.585
  872    HD1  HIS 115           HD1      HIS 115 -21.639   0.524   9.109
  873    HD2  HIS 115           HD2      HIS 115 -22.512  -2.090  12.284
  874    HE1  HIS 115           HE1      HIS 115 -23.210   1.785  10.657
  875    H    PHE 116           H        PHE 116 -17.952  -3.139  11.000
  876    HA   PHE 116           HA       PHE 116 -17.328  -1.200  13.023
  877    HB2  PHE 116           HB2      PHE 116 -16.895  -3.361  13.672
  878    HB3  PHE 116           HB3      PHE 116 -16.209  -3.841  12.144
  879    HD1  PHE 116           HD1      PHE 116 -15.489  -1.508  15.014
  880    HD2  PHE 116           HD2      PHE 116 -13.886  -4.158  12.010
  881    HE1  PHE 116           HE1      PHE 116 -13.226  -1.187  15.947
  882    HE2  PHE 116           HE2      PHE 116 -11.606  -3.815  12.933
  883    HZ   PHE 116           HZ       PHE 116 -11.265  -2.340  14.910
  884    H    VAL 117           H        VAL 117 -15.271  -2.208  10.179
  885    HA   VAL 117           HA       VAL 117 -13.482  -0.010  10.785
  886    HB   VAL 117           HB       VAL 117 -12.309  -0.415   8.702
  887   HG11  VAL 117          HG11      VAL 117 -12.937  -2.957  10.249
  888   HG12  VAL 117          HG12      VAL 117 -11.463  -2.590   9.353
  889   HG13  VAL 117          HG13      VAL 117 -11.840  -1.664  10.799
  890   HG21  VAL 117          HG21      VAL 117 -12.864  -2.292   7.236
  891   HG22  VAL 117          HG22      VAL 117 -14.351  -2.606   8.144
  892   HG23  VAL 117          HG23      VAL 117 -14.173  -1.097   7.217
  893    H    THR 118           H        THR 118 -16.401  -0.047   8.875
  894    HA   THR 118           HA       THR 118 -15.916   2.565   7.634
  895    HB   THR 118           HB       THR 118 -18.635   1.359   8.281
  896    HG1  THR 118           HG1      THR 118 -17.397  -0.147   7.091
  897   HG21  THR 118          HG21      THR 118 -17.664   3.262   6.105
  898   HG22  THR 118          HG22      THR 118 -19.305   2.596   6.233
  899   HG23  THR 118          HG23      THR 118 -18.702   3.692   7.481
  900    H    GLN 119           H        GLN 119 -17.484   1.515  10.735
  901    HA   GLN 119           HA       GLN 119 -18.147   4.180  11.584
  902    HB2  GLN 119           HB2      GLN 119 -17.636   1.586  13.052
  903    HB3  GLN 119           HB3      GLN 119 -17.982   3.086  13.912
  904    HG2  GLN 119           HG2      GLN 119 -20.144   3.321  12.941
  905    HG3  GLN 119           HG3      GLN 119 -19.841   2.054  11.751
  906   HE21  GLN 119          HE22      GLN 119 -19.479  -0.158  12.573
  907   HE22  GLN 119          HE21      GLN 119 -20.379  -0.667  14.011
  908    H    LEU 120           H        LEU 120 -15.018   2.466  11.641
  909    HA   LEU 120           HA       LEU 120 -13.666   4.480  13.230
  910    HB2  LEU 120           HB2      LEU 120 -12.517   2.624  11.092
  911    HB3  LEU 120           HB3      LEU 120 -11.620   3.538  12.294
  912    HG   LEU 120           HG       LEU 120 -13.517   1.244  12.924
  913   HD11  LEU 120          HD11      LEU 120 -11.400   0.563  11.797
  914   HD12  LEU 120          HD12      LEU 120 -10.475   1.438  13.032
  915   HD13  LEU 120          HD13      LEU 120 -11.451   0.030  13.484
  916   HD21  LEU 120          HD21      LEU 120 -12.551   1.422  15.214
  917   HD22  LEU 120          HD22      LEU 120 -11.703   2.905  14.707
  918   HD23  LEU 120          HD23      LEU 120 -13.474   2.866  14.775
  919    H    ARG 121           H        ARG 121 -14.033   4.088   9.705
  920    HA   ARG 121           HA       ARG 121 -12.727   6.678   9.149
  921    HB2  ARG 121           HB2      ARG 121 -13.811   4.567   7.220
  922    HB3  ARG 121           HB3      ARG 121 -12.730   5.913   6.830
  923    HG2  ARG 121           HG2      ARG 121 -11.020   4.912   8.385
  924    HG3  ARG 121           HG3      ARG 121 -12.071   3.535   8.618
  925    HD2  ARG 121           HD2      ARG 121 -11.933   3.021   6.194
  926    HD3  ARG 121           HD3      ARG 121 -10.835   4.388   5.974
  927    HE   ARG 121           HE       ARG 121 -10.371   1.910   7.588
  928   HH11  ARG 121          HH21      ARG 121  -8.818   4.581   5.819
  929   HH12  ARG 121          HH22      ARG 121  -7.297   4.324   6.586
  930   HH21  ARG 121          HH11      ARG 121  -8.290   1.611   8.492
  931   HH22  ARG 121          HH12      ARG 121  -6.975   2.652   8.035
  932    H    TYR 122           H        TYR 122 -15.706   6.154  10.104
  933    HA   TYR 122           HA       TYR 122 -17.549   6.809   8.223
  934    HB2  TYR 122           HB2      TYR 122 -17.659   6.087  10.743
  935    HB3  TYR 122           HB3      TYR 122 -17.786   7.788  11.086
  936    HD1  TYR 122           HD2      TYR 122 -19.402   4.823   9.572
  937    HD2  TYR 122           HD1      TYR 122 -19.870   9.010  10.535
  938    HE1  TYR 122           HE2      TYR 122 -21.845   4.642   9.175
  939    HE2  TYR 122           HE1      TYR 122 -22.320   8.824  10.140
  940    HH   TYR 122           HH       TYR 122 -23.860   5.739   9.149
  941    H    GLY 123           H        GLY 123 -15.365   8.990   9.764
  942    HA2  GLY 123           HA2      GLY 123 -16.757  11.498   9.437
  943    HA3  GLY 123           HA3      GLY 123 -15.015  11.300   9.706
  944    H    LYS 124           H        LYS 124 -15.151   9.533   7.064
  945    HA   LYS 124           HA       LYS 124 -15.873  11.594   5.074
  946    HB2  LYS 124           HB2      LYS 124 -13.422  11.904   5.633
  947    HB3  LYS 124           HB3      LYS 124 -13.125  10.289   4.981
  948    HG2  LYS 124           HG2      LYS 124 -13.833  10.977   2.761
  949    HG3  LYS 124           HG3      LYS 124 -14.491  12.501   3.390
  950    HD2  LYS 124           HD2      LYS 124 -12.186  13.240   3.998
  951    HD3  LYS 124           HD3      LYS 124 -11.548  11.711   3.382
  952    HE2  LYS 124           HE2      LYS 124 -11.192  13.343   1.671
  953    HE3  LYS 124           HE3      LYS 124 -12.483  12.272   1.107
  954    HZ1  LYS 124           HZ1      LYS 124 -12.986  14.624   0.719
  955    HZ2  LYS 124           HZ2      LYS 124 -14.088  14.007   1.751
  956    HZ3  LYS 124           HZ3      LYS 124 -12.885  14.971   2.312
  957    H    SER 125           H        SER 125 -15.450   8.201   5.839
  958    HA   SER 125           HA       SER 125 -16.116   7.174   3.187
  959    HB2  SER 125           HB2      SER 125 -16.195   5.864   5.931
  960    HB3  SER 125           HB3      SER 125 -16.425   5.026   4.380
  961    HG   SER 125           HG       SER 125 -14.272   6.681   4.350
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  21.562  -9.483  -0.938
    2    H2   MET   1           H2       MET   1  20.072 -10.091  -0.642
    3    H3   MET   1           H3       MET   1  20.229  -8.623  -1.354
    4    HA   MET   1           HA       MET   1  21.049  -9.301   1.399
    5    HB2  MET   1           HB2      MET   1  22.495  -7.592   0.269
    6    HB3  MET   1           HB3      MET   1  21.084  -6.558   0.051
    7    HG2  MET   1           HG2      MET   1  20.788  -6.464   2.512
    8    HG3  MET   1           HG3      MET   1  22.185  -7.513   2.730
    9    HE1  MET   1           HE1      MET   1  24.449  -6.430   0.789
   10    HE2  MET   1           HE2      MET   1  25.212  -5.230   1.848
   11    HE3  MET   1           HE3      MET   1  24.672  -6.783   2.521
   12    H    ALA   2           H        ALA   2  19.567  -8.876   3.033
   13    HA   ALA   2           HA       ALA   2  16.771  -8.580   2.298
   14    HB1  ALA   2           HB1      ALA   2  18.135  -8.689   5.029
   15    HB2  ALA   2           HB2      ALA   2  16.407  -8.908   4.710
   16    HB3  ALA   2           HB3      ALA   2  17.566 -10.095   4.090
   17    H    SER   3           H        SER   3  15.309  -7.048   3.301
   18    HA   SER   3           HA       SER   3  16.051  -4.548   4.482
   19    HB2  SER   3           HB2      SER   3  15.572  -4.578   1.477
   20    HB3  SER   3           HB3      SER   3  15.220  -3.144   2.447
   21    HG   SER   3           HG       SER   3  17.726  -4.441   2.606
   22    HA   PRO   4           HA       PRO   4  11.634  -4.452   5.311
   23    HB2  PRO   4           HB2      PRO   4  11.703  -1.522   4.599
   24    HB3  PRO   4           HB3      PRO   4  11.014  -2.313   6.048
   25    HG2  PRO   4           HG2      PRO   4  13.390  -1.027   6.189
   26    HG3  PRO   4           HG3      PRO   4  13.172  -2.610   7.009
   27    HD2  PRO   4           HD2      PRO   4  14.476  -2.037   4.335
   28    HD3  PRO   4           HD3      PRO   4  15.045  -3.083   5.675
   29    H    HIS   5           H        HIS   5   9.590  -4.354   4.259
   30    HA   HIS   5           HA       HIS   5   9.256  -3.354   1.547
   31    HB2  HIS   5           HB2      HIS   5  10.645  -5.295   0.997
   32    HB3  HIS   5           HB3      HIS   5   9.612  -6.362   1.934
   33    HD1  HIS   5           HD1      HIS   5   7.971  -7.668   0.385
   34    HD2  HIS   5           HD2      HIS   5   9.083  -3.880  -1.078
   35    HE1  HIS   5           HE1      HIS   5   6.808  -7.397  -1.864
   36    H    GLN   6           H        GLN   6   7.902  -6.102   3.499
   37    HA   GLN   6           HA       GLN   6   5.176  -5.323   2.717
   38    HB2  GLN   6           HB2      GLN   6   6.119  -7.689   2.744
   39    HB3  GLN   6           HB3      GLN   6   6.051  -7.626   4.506
   40    HG2  GLN   6           HG2      GLN   6   3.577  -7.299   4.381
   41    HG3  GLN   6           HG3      GLN   6   3.668  -7.227   2.619
   42   HE21  GLN   6          HE22      GLN   6   4.030  -9.414   5.443
   43   HE22  GLN   6          HE21      GLN   6   3.930 -10.886   4.495
   44    H    GLU   7           H        GLU   7   5.991  -3.206   3.981
   45    HA   GLU   7           HA       GLU   7   5.564  -3.399   6.904
   46    HB2  GLU   7           HB2      GLU   7   6.305  -0.899   5.375
   47    HB3  GLU   7           HB3      GLU   7   6.519  -1.258   7.083
   48    HG2  GLU   7           HG2      GLU   7   8.071  -2.339   4.712
   49    HG3  GLU   7           HG3      GLU   7   8.660  -1.349   6.033
   50    HA   PRO   8           HA       PRO   8   1.424  -1.702   6.124
   51    HB2  PRO   8           HB2      PRO   8   0.401  -1.724   8.660
   52    HB3  PRO   8           HB3      PRO   8   0.645  -3.223   7.700
   53    HG2  PRO   8           HG2      PRO   8   2.478  -2.029   9.796
   54    HG3  PRO   8           HG3      PRO   8   1.914  -3.724   9.666
   55    HD2  PRO   8           HD2      PRO   8   4.338  -2.879   8.712
   56    HD3  PRO   8           HD3      PRO   8   3.403  -4.161   7.893
   57    H    LYS   9           H        LYS   9   0.360   0.319   6.429
   58    HA   LYS   9           HA       LYS   9   2.209   2.478   7.326
   59    HB2  LYS   9           HB2      LYS   9   0.002   2.326   5.266
   60    HB3  LYS   9           HB3      LYS   9   0.478   3.878   5.947
   61    HG2  LYS   9           HG2      LYS   9   1.606   3.420   3.821
   62    HG3  LYS   9           HG3      LYS   9   2.747   3.658   5.154
   63    HD2  LYS   9           HD2      LYS   9   3.171   1.296   5.333
   64    HD3  LYS   9           HD3      LYS   9   1.840   0.918   4.212
   65    HE2  LYS   9           HE2      LYS   9   3.160   2.295   2.455
   66    HE3  LYS   9           HE3      LYS   9   4.509   2.273   3.606
   67    HZ1  LYS   9           HZ1      LYS   9   4.242  -0.244   3.554
   68    HZ2  LYS   9           HZ2      LYS   9   3.241  -0.057   2.279
   69    HZ3  LYS   9           HZ3      LYS   9   4.800   0.424   2.150
   70    HA   PRO  10           HA       PRO  10  -0.229   3.146  10.757
   71    HB2  PRO  10           HB2      PRO  10   0.347   5.684  11.590
   72    HB3  PRO  10           HB3      PRO  10   1.527   4.327  11.635
   73    HG2  PRO  10           HG2      PRO  10   1.200   6.433   9.461
   74    HG3  PRO  10           HG3      PRO  10   2.710   5.921  10.287
   75    HD2  PRO  10           HD2      PRO  10   2.005   4.895   7.871
   76    HD3  PRO  10           HD3      PRO  10   2.747   3.857   9.131
   77    H    GLY  11           H        GLY  11  -2.253   3.510  11.256
   78    HA2  GLY  11           HA2      GLY  11  -4.385   4.442  11.239
   79    HA3  GLY  11           HA3      GLY  11  -3.925   5.537   9.913
   80    H    ASP  12           H        ASP  12  -2.865   2.753   8.656
   81    HA   ASP  12           HA       ASP  12  -5.406   2.451   7.163
   82    HB2  ASP  12           HB2      ASP  12  -2.576   1.677   6.431
   83    HB3  ASP  12           HB3      ASP  12  -4.005   1.431   5.424
   84    H    LEU  13           H        LEU  13  -5.802   0.352   6.111
   85    HA   LEU  13           HA       LEU  13  -6.419  -1.489   8.324
   86    HB2  LEU  13           HB2      LEU  13  -7.451  -1.461   5.450
   87    HB3  LEU  13           HB3      LEU  13  -8.109  -2.366   6.808
   88    HG   LEU  13           HG       LEU  13  -8.067   0.666   6.547
   89   HD11  LEU  13          HD11      LEU  13 -10.543   0.363   6.337
   90   HD12  LEU  13          HD12      LEU  13  -9.636  -0.358   4.994
   91   HD13  LEU  13          HD13      LEU  13 -10.297  -1.397   6.272
   92   HD21  LEU  13          HD21      LEU  13  -9.540   0.563   8.593
   93   HD22  LEU  13          HD22      LEU  13  -9.220  -1.191   8.682
   94   HD23  LEU  13          HD23      LEU  13  -7.900  -0.064   8.888
   95    H    ILE  14           H        ILE  14  -5.241  -3.106   8.715
   96    HA   ILE  14           HA       ILE  14  -3.644  -4.456   6.580
   97    HB   ILE  14           HB       ILE  14  -3.621  -5.301   9.476
   98   HG12  ILE  14          HG12      ILE  14  -1.911  -3.026   8.396
   99   HG13  ILE  14          HG13      ILE  14  -3.184  -2.881   9.610
  100   HG21  ILE  14          HG21      ILE  14  -2.576  -6.657   7.596
  101   HG22  ILE  14          HG22      ILE  14  -1.460  -5.311   7.312
  102   HG23  ILE  14          HG23      ILE  14  -1.436  -6.193   8.858
  103   HD11  ILE  14          HD11      ILE  14  -1.127  -2.943  10.798
  104   HD12  ILE  14          HD12      ILE  14  -1.926  -4.496  11.074
  105   HD13  ILE  14          HD13      ILE  14  -0.566  -4.374   9.926
  106    H    GLU  15           H        GLU  15  -4.566  -6.097   5.546
  107    HA   GLU  15           HA       GLU  15  -6.759  -7.700   6.764
  108    HB2  GLU  15           HB2      GLU  15  -6.946  -6.808   4.396
  109    HB3  GLU  15           HB3      GLU  15  -5.563  -7.805   3.957
  110    HG2  GLU  15           HG2      GLU  15  -6.804  -9.836   4.560
  111    HG3  GLU  15           HG3      GLU  15  -8.155  -8.862   5.164
  112    H    ILE  16           H        ILE  16  -6.106  -9.422   7.938
  113    HA   ILE  16           HA       ILE  16  -3.405 -10.647   7.432
  114    HB   ILE  16           HB       ILE  16  -4.947 -10.177  10.030
  115   HG12  ILE  16          HG12      ILE  16  -2.352  -8.885   9.087
  116   HG13  ILE  16          HG13      ILE  16  -3.928  -8.100   9.038
  117   HG21  ILE  16          HG21      ILE  16  -3.616 -12.274  10.131
  118   HG22  ILE  16          HG22      ILE  16  -2.169 -11.384   9.611
  119   HG23  ILE  16          HG23      ILE  16  -2.948 -11.047  11.177
  120   HD11  ILE  16          HD11      ILE  16  -2.431  -8.922  11.545
  121   HD12  ILE  16          HD12      ILE  16  -2.732  -7.293  10.953
  122   HD13  ILE  16          HD13      ILE  16  -4.093  -8.283  11.511
  123    H    PHE  17           H        PHE  17  -3.329 -12.848   7.194
  124    HA   PHE  17           HA       PHE  17  -5.811 -14.397   7.187
  125    HB2  PHE  17           HB2      PHE  17  -3.934 -14.569   5.501
  126    HB3  PHE  17           HB3      PHE  17  -2.941 -15.302   6.743
  127    HD1  PHE  17           HD1      PHE  17  -6.144 -15.655   4.836
  128    HD2  PHE  17           HD2      PHE  17  -3.126 -17.681   7.167
  129    HE1  PHE  17           HE1      PHE  17  -7.097 -17.848   4.178
  130    HE2  PHE  17           HE2      PHE  17  -4.091 -19.872   6.505
  131    HZ   PHE  17           HZ       PHE  17  -6.068 -19.956   4.998
  132    H    ARG  18           H        ARG  18  -6.105 -13.718   9.507
  133    HA   ARG  18           HA       ARG  18  -4.422 -14.515  11.603
  134    HB2  ARG  18           HB2      ARG  18  -6.539 -12.878  11.341
  135    HB3  ARG  18           HB3      ARG  18  -7.365 -14.203  12.129
  136    HG2  ARG  18           HG2      ARG  18  -4.960 -12.645  13.179
  137    HG3  ARG  18           HG3      ARG  18  -6.633 -12.445  13.683
  138    HD2  ARG  18           HD2      ARG  18  -6.604 -14.798  14.576
  139    HD3  ARG  18           HD3      ARG  18  -4.884 -14.872  14.204
  140    HE   ARG  18           HE       ARG  18  -6.193 -13.130  16.237
  141   HH11  ARG  18          HH11      ARG  18  -3.143 -14.428  14.973
  142   HH12  ARG  18          HH12      ARG  18  -2.233 -13.789  16.319
  143   HH21  ARG  18          HH21      ARG  18  -4.935 -12.455  17.988
  144   HH22  ARG  18          HH22      ARG  18  -3.229 -12.784  18.007
  145    H    LEU  19           H        LEU  19  -7.044 -16.381  10.162
  146    HA   LEU  19           HA       LEU  19  -6.794 -18.526  12.225
  147    HB2  LEU  19           HB2      LEU  19  -9.197 -18.146  12.817
  148    HB3  LEU  19           HB3      LEU  19  -8.089 -16.867  13.253
  149    HG   LEU  19           HG       LEU  19  -8.862 -15.545  11.233
  150   HD11  LEU  19          HD11      LEU  19 -11.054 -17.657  11.138
  151   HD12  LEU  19          HD12      LEU  19 -11.081 -16.096  10.294
  152   HD13  LEU  19          HD13      LEU  19  -9.859 -17.299   9.872
  153   HD21  LEU  19          HD21      LEU  19  -9.644 -15.086  13.522
  154   HD22  LEU  19          HD22      LEU  19 -10.919 -14.787  12.336
  155   HD23  LEU  19          HD23      LEU  19 -10.963 -16.270  13.312
  156    H    GLY  20           H        GLY  20  -6.264 -18.683   9.370
  157    HA2  GLY  20           HA2      GLY  20  -6.645 -20.316   7.719
  158    HA3  GLY  20           HA3      GLY  20  -8.123 -20.851   8.558
  159    H    TYR  21           H        TYR  21  -8.043 -17.529   8.269
  160    HA   TYR  21           HA       TYR  21  -9.078 -16.999   5.644
  161    HB2  TYR  21           HB2      TYR  21 -11.037 -18.184   6.694
  162    HB3  TYR  21           HB3      TYR  21 -11.033 -16.988   7.979
  163    HD1  TYR  21           HD2      TYR  21 -11.374 -17.341   4.247
  164    HD2  TYR  21           HD1      TYR  21 -12.279 -14.999   7.756
  165    HE1  TYR  21           HE2      TYR  21 -12.859 -15.883   2.887
  166    HE2  TYR  21           HE1      TYR  21 -13.732 -13.520   6.394
  167    HH   TYR  21           HH       TYR  21 -14.236 -14.035   2.885
  168    H    GLU  22           H        GLU  22  -9.574 -14.699   5.429
  169    HA   GLU  22           HA       GLU  22  -7.801 -12.978   6.755
  170    HB2  GLU  22           HB2      GLU  22 -10.223 -12.483   4.983
  171    HB3  GLU  22           HB3      GLU  22  -9.202 -11.193   5.600
  172    HG2  GLU  22           HG2      GLU  22  -8.435 -11.628   3.440
  173    HG3  GLU  22           HG3      GLU  22  -7.212 -12.246   4.546
  174    H    HIS  23           H        HIS  23  -7.905 -11.591   8.407
  175    HA   HIS  23           HA       HIS  23 -10.475 -10.583   9.434
  176    HB2  HIS  23           HB2      HIS  23  -9.219 -12.656  10.786
  177    HB3  HIS  23           HB3      HIS  23  -8.491 -11.254  11.555
  178    HD1  HIS  23           HD1      HIS  23  -9.904 -10.628  13.703
  179    HD2  HIS  23           HD2      HIS  23 -12.153 -12.375  10.602
  180    HE1  HIS  23           HE1      HIS  23 -12.272 -10.875  14.568
  181    H    TRP  24           H        TRP  24 -10.195  -8.455  10.459
  182    HA   TRP  24           HA       TRP  24  -7.944  -7.049   9.168
  183    HB2  TRP  24           HB2      TRP  24 -10.566  -6.121  10.350
  184    HB3  TRP  24           HB3      TRP  24  -9.348  -5.051   9.680
  185    HD1  TRP  24           HD1      TRP  24 -12.321  -6.906   8.735
  186    HE1  TRP  24           HE1      TRP  24 -12.769  -6.764   6.218
  187    HE3  TRP  24           HE3      TRP  24  -7.879  -4.885   7.284
  188    HZ2  TRP  24           HZ2      TRP  24 -11.386  -5.805   3.869
  189    HZ3  TRP  24           HZ3      TRP  24  -7.487  -4.283   4.915
  190    HH2  TRP  24           HH2      TRP  24  -9.232  -4.757   3.191
  191    H    ALA  25           H        ALA  25  -6.763  -5.401  10.048
  192    HA   ALA  25           HA       ALA  25  -7.060  -4.660  12.890
  193    HB1  ALA  25           HB1      ALA  25  -5.342  -6.469  12.825
  194    HB2  ALA  25           HB2      ALA  25  -4.394  -5.504  11.671
  195    HB3  ALA  25           HB3      ALA  25  -4.662  -4.908  13.320
  196    H    LEU  26           H        LEU  26  -6.112  -2.640  13.422
  197    HA   LEU  26           HA       LEU  26  -5.604  -0.737  11.154
  198    HB2  LEU  26           HB2      LEU  26  -7.670  -0.581  12.763
  199    HB3  LEU  26           HB3      LEU  26  -6.535  -0.108  13.994
  200    HG   LEU  26           HG       LEU  26  -7.596   1.831  13.155
  201   HD11  LEU  26          HD11      LEU  26  -5.849   3.274  12.496
  202   HD12  LEU  26          HD12      LEU  26  -5.120   2.060  13.556
  203   HD13  LEU  26          HD13      LEU  26  -4.891   1.947  11.799
  204   HD21  LEU  26          HD21      LEU  26  -8.346   0.856  10.981
  205   HD22  LEU  26          HD22      LEU  26  -7.731   2.514  10.853
  206   HD23  LEU  26          HD23      LEU  26  -6.714   1.155  10.339
  207    H    TYR  27           H        TYR  27  -3.461  -0.087  11.038
  208    HA   TYR  27           HA       TYR  27  -1.597  -0.705  13.205
  209    HB2  TYR  27           HB2      TYR  27  -1.221  -0.727  10.642
  210    HB3  TYR  27           HB3      TYR  27  -1.040   0.992  10.763
  211    HD1  TYR  27           HD1      TYR  27   0.212  -2.033  12.677
  212    HD2  TYR  27           HD2      TYR  27   1.245   1.616  10.650
  213    HE1  TYR  27           HE1      TYR  27   2.615  -2.492  13.067
  214    HE2  TYR  27           HE2      TYR  27   3.638   1.163  11.007
  215    HH   TYR  27           HH       TYR  27   5.191  -0.331  11.808
  216    H    ILE  28           H        ILE  28  -2.147   0.429  15.066
  217    HA   ILE  28           HA       ILE  28  -2.567   3.360  14.943
  218    HB   ILE  28           HB       ILE  28  -2.880   3.197  17.401
  219   HG12  ILE  28          HG12      ILE  28  -2.969   0.182  17.147
  220   HG13  ILE  28          HG13      ILE  28  -1.474   1.008  17.594
  221   HG21  ILE  28          HG21      ILE  28  -4.673   1.336  15.799
  222   HG22  ILE  28          HG22      ILE  28  -5.106   2.301  17.236
  223   HG23  ILE  28          HG23      ILE  28  -4.721   3.108  15.719
  224   HD11  ILE  28          HD11      ILE  28  -2.498   2.003  19.546
  225   HD12  ILE  28          HD12      ILE  28  -4.077   1.315  19.122
  226   HD13  ILE  28          HD13      ILE  28  -2.732   0.247  19.573
  227    H    GLY  29           H        GLY  29   0.182   1.333  15.596
  228    HA2  GLY  29           HA2      GLY  29   1.833   3.750  15.972
  229    HA3  GLY  29           HA3      GLY  29   1.852   2.584  17.296
  230    H    ASP  30           H        ASP  30   4.209   2.989  16.125
  231    HA   ASP  30           HA       ASP  30   4.723   1.220  13.917
  232    HB2  ASP  30           HB2      ASP  30   6.168   3.125  14.436
  233    HB3  ASP  30           HB3      ASP  30   6.612   2.404  15.984
  234    H    GLY  31           H        GLY  31   3.949  -0.783  14.296
  235    HA2  GLY  31           HA2      GLY  31   4.285  -3.036  14.835
  236    HA3  GLY  31           HA3      GLY  31   5.242  -2.581  16.272
  237    H    TYR  32           H        TYR  32   2.398  -0.754  16.251
  238    HA   TYR  32           HA       TYR  32   1.018  -2.717  18.055
  239    HB2  TYR  32           HB2      TYR  32   1.246   0.299  18.238
  240    HB3  TYR  32           HB3      TYR  32   0.045  -0.637  19.123
  241    HD1  TYR  32           HD2      TYR  32   0.696  -2.288  20.866
  242    HD2  TYR  32           HD1      TYR  32   3.610   0.228  18.899
  243    HE1  TYR  32           HE2      TYR  32   2.341  -2.773  22.669
  244    HE2  TYR  32           HE1      TYR  32   5.257  -0.272  20.690
  245    HH   TYR  32           HH       TYR  32   5.651  -1.392  22.651
  246    H    VAL  33           H        VAL  33  -1.143  -3.083  17.859
  247    HA   VAL  33           HA       VAL  33  -2.593  -1.744  15.628
  248    HB   VAL  33           HB       VAL  33  -3.392  -4.015  14.887
  249   HG11  VAL  33          HG11      VAL  33  -1.797  -2.828  13.523
  250   HG12  VAL  33          HG12      VAL  33  -0.435  -3.473  14.483
  251   HG13  VAL  33          HG13      VAL  33  -1.447  -4.551  13.497
  252   HG21  VAL  33          HG21      VAL  33  -2.702  -5.363  16.845
  253   HG22  VAL  33          HG22      VAL  33  -2.052  -5.995  15.322
  254   HG23  VAL  33          HG23      VAL  33  -0.995  -5.095  16.412
  255    H    ILE  34           H        ILE  34  -4.786  -1.850  15.618
  256    HA   ILE  34           HA       ILE  34  -6.162  -3.006  18.052
  257    HB   ILE  34           HB       ILE  34  -7.090  -0.806  16.154
  258   HG12  ILE  34          HG12      ILE  34  -5.466   0.094  17.647
  259   HG13  ILE  34          HG13      ILE  34  -7.051   0.648  18.173
  260   HG21  ILE  34          HG21      ILE  34  -9.047  -0.599  17.702
  261   HG22  ILE  34          HG22      ILE  34  -9.020  -2.116  16.814
  262   HG23  ILE  34          HG23      ILE  34  -8.534  -2.097  18.516
  263   HD11  ILE  34          HD11      ILE  34  -5.171  -1.328  19.468
  264   HD12  ILE  34          HD12      ILE  34  -5.893   0.132  20.159
  265   HD13  ILE  34          HD13      ILE  34  -6.889  -1.318  19.904
  266    H    HIS  35           H        HIS  35  -7.464  -4.774  17.626
  267    HA   HIS  35           HA       HIS  35  -8.192  -5.328  14.791
  268    HB2  HIS  35           HB2      HIS  35  -7.199  -7.489  14.784
  269    HB3  HIS  35           HB3      HIS  35  -5.941  -6.396  15.345
  270    HD1  HIS  35           HD1      HIS  35  -8.003  -9.382  16.472
  271    HD2  HIS  35           HD2      HIS  35  -5.376  -6.511  18.076
  272    HE1  HIS  35           HE1      HIS  35  -7.311 -10.241  18.771
  273    H    LEU  36           H        LEU  36  -9.749  -7.099  14.587
  274    HA   LEU  36           HA       LEU  36 -11.598  -7.262  16.906
  275    HB2  LEU  36           HB2      LEU  36 -12.342  -6.670  14.543
  276    HB3  LEU  36           HB3      LEU  36 -11.887  -8.295  14.048
  277    HG   LEU  36           HG       LEU  36 -13.574  -9.154  15.768
  278   HD11  LEU  36          HD11      LEU  36 -14.414  -6.213  15.788
  279   HD12  LEU  36          HD12      LEU  36 -15.348  -7.553  16.479
  280   HD13  LEU  36          HD13      LEU  36 -13.787  -7.116  17.175
  281   HD21  LEU  36          HD21      LEU  36 -14.091  -9.084  13.367
  282   HD22  LEU  36          HD22      LEU  36 -15.531  -8.646  14.299
  283   HD23  LEU  36          HD23      LEU  36 -14.584  -7.381  13.502
  284    H    ALA  37           H        ALA  37 -11.793  -9.094  18.092
  285    HA   ALA  37           HA       ALA  37 -10.250 -11.542  17.372
  286    HB1  ALA  37           HB1      ALA  37  -9.931 -10.629  19.631
  287    HB2  ALA  37           HB2      ALA  37 -11.680 -10.693  19.935
  288    HB3  ALA  37           HB3      ALA  37 -10.764 -12.197  19.718
  289    HA   PRO  38           HA       PRO  38 -13.975 -13.073  15.661
  290    HB2  PRO  38           HB2      PRO  38 -13.505 -15.754  15.389
  291    HB3  PRO  38           HB3      PRO  38 -12.565 -14.510  14.512
  292    HG2  PRO  38           HG2      PRO  38 -11.849 -15.861  17.150
  293    HG3  PRO  38           HG3      PRO  38 -10.834 -15.745  15.678
  294    HD2  PRO  38           HD2      PRO  38 -10.557 -13.969  17.696
  295    HD3  PRO  38           HD3      PRO  38 -10.489 -13.416  15.993
  296    HA   PRO  39           HA       PRO  39 -16.701 -14.983  18.760
  297    HB2  PRO  39           HB2      PRO  39 -18.812 -15.737  17.248
  298    HB3  PRO  39           HB3      PRO  39 -18.419 -14.011  17.525
  299    HG2  PRO  39           HG2      PRO  39 -17.775 -15.711  15.111
  300    HG3  PRO  39           HG3      PRO  39 -18.417 -14.040  15.159
  301    HD2  PRO  39           HD2      PRO  39 -15.736 -14.698  14.822
  302    HD3  PRO  39           HD3      PRO  39 -16.291 -13.150  15.515
  303    H    SER  40           H        SER  40 -16.765 -17.073  19.645
  304    HA   SER  40           HA       SER  40 -15.333 -19.174  18.251
  305    HB2  SER  40           HB2      SER  40 -16.924 -19.273  20.832
  306    HB3  SER  40           HB3      SER  40 -15.835 -20.539  20.244
  307    HG   SER  40           HG       SER  40 -15.241 -17.933  21.153
  308    H    GLU  41           H        GLU  41 -18.733 -18.434  18.382
  309    HA   GLU  41           HA       GLU  41 -19.303 -20.319  16.322
  310    HB2  GLU  41           HB2      GLU  41 -19.406 -21.896  18.262
  311    HB3  GLU  41           HB3      GLU  41 -20.687 -20.913  18.980
  312    HG2  GLU  41           HG2      GLU  41 -22.179 -21.401  17.137
  313    HG3  GLU  41           HG3      GLU  41 -20.876 -22.121  16.187
  314    H    TYR  42           H        TYR  42 -20.840 -19.399  15.059
  315    HA   TYR  42           HA       TYR  42 -21.817 -16.856  15.757
  316    HB2  TYR  42           HB2      TYR  42 -21.165 -17.378  13.536
  317    HB3  TYR  42           HB3      TYR  42 -22.432 -18.572  13.358
  318    HD1  TYR  42           HD1      TYR  42 -21.938 -14.923  14.185
  319    HD2  TYR  42           HD2      TYR  42 -24.481 -17.899  12.357
  320    HE1  TYR  42           HE1      TYR  42 -23.483 -13.136  13.413
  321    HE2  TYR  42           HE2      TYR  42 -26.005 -16.107  11.561
  322    HH   TYR  42           HH       TYR  42 -26.421 -13.847  11.494
  323    HA   PRO  43           HA       PRO  43 -26.298 -18.431  16.229
  324    HB2  PRO  43           HB2      PRO  43 -26.839 -21.114  16.428
  325    HB3  PRO  43           HB3      PRO  43 -26.764 -20.232  14.871
  326    HG2  PRO  43           HG2      PRO  43 -24.575 -21.874  16.189
  327    HG3  PRO  43           HG3      PRO  43 -25.155 -21.961  14.492
  328    HD2  PRO  43           HD2      PRO  43 -22.951 -20.501  15.141
  329    HD3  PRO  43           HD3      PRO  43 -24.116 -19.899  13.938
  330    H    GLY  44           H        GLY  44 -23.730 -20.324  17.848
  331    HA2  GLY  44           HA2      GLY  44 -23.145 -20.277  20.103
  332    HA3  GLY  44           HA3      GLY  44 -24.668 -19.464  20.514
  333    H    ALA  45           H        ALA  45 -23.473 -21.593  21.924
  334    HA   ALA  45           HA       ALA  45 -25.022 -24.049  21.345
  335    HB1  ALA  45           HB1      ALA  45 -22.613 -24.232  21.789
  336    HB2  ALA  45           HB2      ALA  45 -22.820 -23.440  23.367
  337    HB3  ALA  45           HB3      ALA  45 -23.547 -25.029  23.072
  338    H    GLY  46           H        GLY  46 -26.302 -25.111  22.875
  339    HA2  GLY  46           HA2      GLY  46 -27.564 -23.457  25.034
  340    HA3  GLY  46           HA3      GLY  46 -28.207 -24.965  24.345
  341    H    SER  47           H        SER  47 -26.894 -23.784  27.088
  342    HA   SER  47           HA       SER  47 -24.734 -25.401  27.766
  343    HB2  SER  47           HB2      SER  47 -26.867 -24.354  29.664
  344    HB3  SER  47           HB3      SER  47 -25.198 -24.792  30.072
  345    HG   SER  47           HG       SER  47 -25.456 -22.523  29.761
  346    H    SER  48           H        SER  48 -28.152 -26.348  27.893
  347    HA   SER  48           HA       SER  48 -27.736 -28.782  29.449
  348    HB2  SER  48           HB2      SER  48 -30.039 -29.305  28.596
  349    HB3  SER  48           HB3      SER  48 -29.897 -27.767  29.459
  350    HG   SER  48           HG       SER  48 -31.117 -27.588  27.501
  351    H    SER  49           H        SER  49 -27.589 -27.984  25.989
  352    HA   SER  49           HA       SER  49 -27.254 -30.797  25.154
  353    HB2  SER  49           HB2      SER  49 -26.861 -28.202  23.606
  354    HB3  SER  49           HB3      SER  49 -26.861 -29.839  22.933
  355    HG   SER  49           HG       SER  49 -28.906 -28.822  22.709
  356    H    VAL  50           H        VAL  50 -25.170 -27.931  25.626
  357    HA   VAL  50           HA       VAL  50 -22.894 -29.467  26.387
  358    HB   VAL  50           HB       VAL  50 -22.581 -29.974  24.028
  359   HG11  VAL  50          HG11      VAL  50 -23.785 -28.011  23.016
  360   HG12  VAL  50          HG12      VAL  50 -22.386 -26.997  23.435
  361   HG13  VAL  50          HG13      VAL  50 -22.205 -28.340  22.300
  362   HG21  VAL  50          HG21      VAL  50 -20.309 -29.220  23.725
  363   HG22  VAL  50          HG22      VAL  50 -20.549 -27.871  24.852
  364   HG23  VAL  50          HG23      VAL  50 -20.580 -29.548  25.447
  365    H    PHE  51           H        PHE  51 -21.747 -28.287  27.739
  366    HA   PHE  51           HA       PHE  51 -21.872 -25.305  27.627
  367    HB2  PHE  51           HB2      PHE  51 -21.348 -25.402  30.023
  368    HB3  PHE  51           HB3      PHE  51 -22.804 -26.299  29.646
  369    HD1  PHE  51           HD2      PHE  51 -19.234 -26.602  30.645
  370    HD2  PHE  51           HD1      PHE  51 -22.933 -28.718  29.964
  371    HE1  PHE  51           HE2      PHE  51 -18.290 -28.612  31.760
  372    HE2  PHE  51           HE1      PHE  51 -21.991 -30.716  31.089
  373    HZ   PHE  51           HZ       PHE  51 -19.666 -30.671  31.978
  374    H    SER  52           H        SER  52 -19.728 -27.848  26.950
  375    HA   SER  52           HA       SER  52 -17.279 -26.847  27.939
  376    HB2  SER  52           HB2      SER  52 -17.707 -28.736  25.599
  377    HB3  SER  52           HB3      SER  52 -16.300 -28.652  26.673
  378    HG   SER  52           HG       SER  52 -17.677 -30.364  27.270
  379    H    VAL  53           H        VAL  53 -18.946 -25.312  25.533
  380    HA   VAL  53           HA       VAL  53 -16.471 -24.298  24.196
  381    HB   VAL  53           HB       VAL  53 -17.622 -24.056  22.080
  382   HG11  VAL  53          HG11      VAL  53 -17.657 -26.370  21.360
  383   HG12  VAL  53          HG12      VAL  53 -16.330 -26.117  22.505
  384   HG13  VAL  53          HG13      VAL  53 -17.817 -26.939  23.033
  385   HG21  VAL  53          HG21      VAL  53 -19.965 -23.828  22.772
  386   HG22  VAL  53          HG22      VAL  53 -19.788 -25.131  21.599
  387   HG23  VAL  53          HG23      VAL  53 -19.994 -25.519  23.323
  388    H    LEU  54           H        LEU  54 -16.520 -22.153  23.477
  389    HA   LEU  54           HA       LEU  54 -18.281 -20.353  25.003
  390    HB2  LEU  54           HB2      LEU  54 -15.866 -20.005  23.192
  391    HB3  LEU  54           HB3      LEU  54 -16.838 -18.622  23.641
  392    HG   LEU  54           HG       LEU  54 -14.850 -18.780  24.988
  393   HD11  LEU  54          HD11      LEU  54 -16.902 -17.762  25.951
  394   HD12  LEU  54          HD12      LEU  54 -17.310 -19.316  26.711
  395   HD13  LEU  54          HD13      LEU  54 -15.837 -18.456  27.182
  396   HD21  LEU  54          HD21      LEU  54 -14.414 -20.496  26.623
  397   HD22  LEU  54          HD22      LEU  54 -15.901 -21.360  26.206
  398   HD23  LEU  54          HD23      LEU  54 -14.568 -21.249  25.026
  399    H    SER  55           H        SER  55 -19.630 -18.806  24.123
  400    HA   SER  55           HA       SER  55 -20.494 -19.141  21.250
  401    HB2  SER  55           HB2      SER  55 -22.233 -18.576  23.693
  402    HB3  SER  55           HB3      SER  55 -22.789 -18.663  22.013
  403    HG   SER  55           HG       SER  55 -21.586 -20.762  23.515
  404    H    ASN  56           H        ASN  56 -18.525 -17.277  22.539
  405    HA   ASN  56           HA       ASN  56 -19.630 -14.790  23.184
  406    HB2  ASN  56           HB2      ASN  56 -17.384 -13.960  23.134
  407    HB3  ASN  56           HB3      ASN  56 -17.354 -15.607  23.775
  408   HD21  ASN  56          HD22      ASN  56 -16.100 -13.486  21.276
  409   HD22  ASN  56          HD21      ASN  56 -15.160 -14.725  20.470
  410    H    SER  57           H        SER  57 -19.330 -12.695  22.226
  411    HA   SER  57           HA       SER  57 -19.834 -12.542  19.322
  412    HB2  SER  57           HB2      SER  57 -20.151 -10.085  19.907
  413    HB3  SER  57           HB3      SER  57 -21.277 -11.208  20.685
  414    HG   SER  57           HG       SER  57 -20.563  -9.842  22.267
  415    H    ALA  58           H        ALA  58 -18.604 -10.751  18.086
  416    HA   ALA  58           HA       ALA  58 -15.758 -11.343  18.377
  417    HB1  ALA  58           HB1      ALA  58 -15.543 -10.222  16.260
  418    HB2  ALA  58           HB2      ALA  58 -17.018 -11.181  16.163
  419    HB3  ALA  58           HB3      ALA  58 -17.123  -9.426  16.429
  420    H    GLU  59           H        GLU  59 -14.259 -10.033  19.340
  421    HA   GLU  59           HA       GLU  59 -15.290  -7.576  20.724
  422    HB2  GLU  59           HB2      GLU  59 -14.773  -9.595  22.116
  423    HB3  GLU  59           HB3      GLU  59 -13.082  -9.484  21.610
  424    HG2  GLU  59           HG2      GLU  59 -12.893  -7.260  22.654
  425    HG3  GLU  59           HG3      GLU  59 -14.606  -7.293  23.084
  426    H    VAL  60           H        VAL  60 -14.216  -5.659  20.453
  427    HA   VAL  60           HA       VAL  60 -11.860  -5.544  18.681
  428    HB   VAL  60           HB       VAL  60 -13.261  -3.266  20.130
  429   HG11  VAL  60          HG11      VAL  60 -10.984  -2.627  19.484
  430   HG12  VAL  60          HG12      VAL  60 -11.206  -3.324  17.870
  431   HG13  VAL  60          HG13      VAL  60 -12.126  -1.885  18.363
  432   HG21  VAL  60          HG21      VAL  60 -14.799  -4.390  18.548
  433   HG22  VAL  60          HG22      VAL  60 -14.298  -2.829  17.910
  434   HG23  VAL  60          HG23      VAL  60 -13.563  -4.315  17.277
  435    H    LYS  61           H        LYS  61  -9.797  -5.530  19.326
  436    HA   LYS  61           HA       LYS  61  -9.079  -4.938  22.180
  437    HB2  LYS  61           HB2      LYS  61  -8.231  -7.386  20.568
  438    HB3  LYS  61           HB3      LYS  61  -7.768  -7.014  22.232
  439    HG2  LYS  61           HG2      LYS  61 -10.238  -7.137  22.855
  440    HG3  LYS  61           HG3      LYS  61 -10.565  -7.663  21.207
  441    HD2  LYS  61           HD2      LYS  61 -10.509  -9.642  22.448
  442    HD3  LYS  61           HD3      LYS  61  -9.012  -9.599  21.530
  443    HE2  LYS  61           HE2      LYS  61  -8.665 -10.450  23.781
  444    HE3  LYS  61           HE3      LYS  61  -7.743  -8.954  23.539
  445    HZ1  LYS  61           HZ1      LYS  61 -10.421  -8.981  24.832
  446    HZ2  LYS  61           HZ2      LYS  61  -9.031  -9.176  25.701
  447    HZ3  LYS  61           HZ3      LYS  61  -9.308  -7.786  24.890
  448    H    ARG  62           H        ARG  62  -6.880  -4.512  22.624
  449    HA   ARG  62           HA       ARG  62  -5.271  -3.374  20.379
  450    HB2  ARG  62           HB2      ARG  62  -5.866  -1.854  22.227
  451    HB3  ARG  62           HB3      ARG  62  -5.136  -2.949  23.397
  452    HG2  ARG  62           HG2      ARG  62  -2.901  -2.550  22.463
  453    HG3  ARG  62           HG3      ARG  62  -3.590  -1.641  21.112
  454    HD2  ARG  62           HD2      ARG  62  -2.670  -0.080  22.709
  455    HD3  ARG  62           HD3      ARG  62  -4.435   0.071  22.696
  456    HE   ARG  62           HE       ARG  62  -3.488  -1.786  24.726
  457   HH11  ARG  62          HH11      ARG  62  -3.835   1.687  24.155
  458   HH12  ARG  62          HH12      ARG  62  -3.943   2.051  25.853
  459   HH21  ARG  62          HH21      ARG  62  -3.650  -1.259  26.897
  460   HH22  ARG  62          HH22      ARG  62  -3.826   0.399  27.384
  461    H    GLU  63           H        GLU  63  -3.240  -4.158  19.899
  462    HA   GLU  63           HA       GLU  63  -1.793  -6.053  21.544
  463    HB2  GLU  63           HB2      GLU  63  -3.772  -7.387  20.652
  464    HB3  GLU  63           HB3      GLU  63  -3.204  -7.050  19.028
  465    HG2  GLU  63           HG2      GLU  63  -2.711  -9.336  19.901
  466    HG3  GLU  63           HG3      GLU  63  -1.296  -8.467  19.332
  467    H    ARG  64           H        ARG  64   0.047  -7.078  20.197
  468    HA   ARG  64           HA       ARG  64   1.293  -4.974  18.523
  469    HB2  ARG  64           HB2      ARG  64   2.425  -7.492  19.796
  470    HB3  ARG  64           HB3      ARG  64   3.345  -6.342  18.803
  471    HG2  ARG  64           HG2      ARG  64   2.823  -4.517  20.372
  472    HG3  ARG  64           HG3      ARG  64   1.924  -5.645  21.407
  473    HD2  ARG  64           HD2      ARG  64   4.018  -6.984  21.712
  474    HD3  ARG  64           HD3      ARG  64   4.887  -5.806  20.722
  475    HE   ARG  64           HE       ARG  64   4.842  -4.248  22.440
  476   HH11  ARG  64          HH11      ARG  64   2.823  -6.980  23.457
  477   HH12  ARG  64          HH12      ARG  64   2.720  -6.407  25.093
  478   HH21  ARG  64          HH21      ARG  64   4.628  -3.551  24.541
  479   HH22  ARG  64          HH22      ARG  64   3.745  -4.492  25.702
  480    H    LEU  65           H        LEU  65   2.159  -5.341  16.503
  481    HA   LEU  65           HA       LEU  65   0.466  -6.576  14.668
  482    HB2  LEU  65           HB2      LEU  65   2.062  -4.761  14.137
  483    HB3  LEU  65           HB3      LEU  65   3.423  -5.854  14.395
  484    HG   LEU  65           HG       LEU  65   2.605  -7.256  12.451
  485   HD11  LEU  65          HD11      LEU  65   0.989  -6.206  10.874
  486   HD12  LEU  65          HD12      LEU  65   0.225  -6.600  12.415
  487   HD13  LEU  65          HD13      LEU  65   0.685  -4.921  12.056
  488   HD21  LEU  65          HD21      LEU  65   4.394  -5.576  12.180
  489   HD22  LEU  65          HD22      LEU  65   3.405  -5.724  10.719
  490   HD23  LEU  65          HD23      LEU  65   3.182  -4.335  11.802
  491    H    GLU  66           H        GLU  66   3.704  -7.886  15.662
  492    HA   GLU  66           HA       GLU  66   3.474 -10.191  14.041
  493    HB2  GLU  66           HB2      GLU  66   5.419 -10.991  15.084
  494    HB3  GLU  66           HB3      GLU  66   5.599  -9.258  14.868
  495    HG2  GLU  66           HG2      GLU  66   4.912 -10.681  17.475
  496    HG3  GLU  66           HG3      GLU  66   6.513 -10.130  17.002
  497    H    ASP  67           H        ASP  67   2.061  -9.619  17.228
  498    HA   ASP  67           HA       ASP  67   1.565 -12.467  17.746
  499    HB2  ASP  67           HB2      ASP  67   1.844 -10.830  19.582
  500    HB3  ASP  67           HB3      ASP  67   0.400  -9.978  19.041
  501    H    VAL  68           H        VAL  68  -0.297  -9.655  16.516
  502    HA   VAL  68           HA       VAL  68  -2.673 -11.180  15.967
  503    HB   VAL  68           HB       VAL  68  -1.859  -8.583  14.651
  504   HG11  VAL  68          HG11      VAL  68  -4.602  -9.913  14.993
  505   HG12  VAL  68          HG12      VAL  68  -4.313  -8.300  14.310
  506   HG13  VAL  68          HG13      VAL  68  -3.732  -9.730  13.457
  507   HG21  VAL  68          HG21      VAL  68  -3.421  -7.602  16.393
  508   HG22  VAL  68          HG22      VAL  68  -3.444  -9.186  17.195
  509   HG23  VAL  68          HG23      VAL  68  -1.929  -8.264  17.060
  510    H    VAL  69           H        VAL  69   0.191 -10.505  14.038
  511    HA   VAL  69           HA       VAL  69  -0.858 -11.763  11.646
  512    HB   VAL  69           HB       VAL  69   1.882 -10.800  12.485
  513   HG11  VAL  69          HG11      VAL  69   2.542 -10.987  10.098
  514   HG12  VAL  69          HG12      VAL  69   2.286 -12.567  10.835
  515   HG13  VAL  69          HG13      VAL  69   1.037 -11.880   9.769
  516   HG21  VAL  69          HG21      VAL  69   1.356  -8.950  10.969
  517   HG22  VAL  69          HG22      VAL  69  -0.148  -9.749  10.455
  518   HG23  VAL  69          HG23      VAL  69   0.004  -9.144  12.106
  519    H    GLY  70           H        GLY  70   1.297 -12.956  14.286
  520    HA2  GLY  70           HA2      GLY  70   1.737 -15.093  14.962
  521    HA3  GLY  70           HA3      GLY  70   0.312 -15.599  14.027
  522    H    GLY  71           H        GLY  71   2.995 -14.115  12.343
  523    HA2  GLY  71           HA2      GLY  71   4.579 -14.949  10.875
  524    HA3  GLY  71           HA3      GLY  71   4.251 -16.597  11.455
  525    H    CYS  72           H        CYS  72   1.315 -15.220  10.532
  526    HA   CYS  72           HA       CYS  72   1.241 -16.753   8.002
  527    HB2  CYS  72           HB2      CYS  72  -0.913 -15.312   9.627
  528    HB3  CYS  72           HB3      CYS  72  -1.214 -16.273   8.175
  529    HG   CYS  72           HG       CYS  72   0.314 -17.322  10.937
  530    H    CYS  73           H        CYS  73  -0.175 -15.681   6.228
  531    HA   CYS  73           HA       CYS  73   1.285 -13.443   5.169
  532    HB2  CYS  73           HB2      CYS  73  -1.331 -14.734   4.248
  533    HB3  CYS  73           HB3      CYS  73  -0.320 -13.662   3.272
  534    HG   CYS  73           HG       CYS  73   1.863 -15.160   3.353
  535    H    TYR  74           H        TYR  74   0.617 -11.360   4.631
  536    HA   TYR  74           HA       TYR  74  -1.960 -10.299   5.368
  537    HB2  TYR  74           HB2      TYR  74  -1.329  -8.722   7.042
  538    HB3  TYR  74           HB3      TYR  74  -0.846 -10.308   7.599
  539    HD1  TYR  74           HD2      TYR  74   1.567 -10.937   7.662
  540    HD2  TYR  74           HD1      TYR  74   0.291  -6.975   6.545
  541    HE1  TYR  74           HE2      TYR  74   3.888 -10.095   8.000
  542    HE2  TYR  74           HE1      TYR  74   2.604  -6.142   6.831
  543    HH   TYR  74           HH       TYR  74   4.793  -6.744   7.150
  544    H    ARG  75           H        ARG  75  -2.177  -7.959   4.940
  545    HA   ARG  75           HA       ARG  75  -0.314  -6.567   3.228
  546    HB2  ARG  75           HB2      ARG  75  -1.645  -6.524   1.185
  547    HB3  ARG  75           HB3      ARG  75  -1.007  -8.110   1.530
  548    HG2  ARG  75           HG2      ARG  75  -3.869  -7.332   2.241
  549    HG3  ARG  75           HG3      ARG  75  -3.405  -7.939   0.649
  550    HD2  ARG  75           HD2      ARG  75  -2.467  -9.981   1.692
  551    HD3  ARG  75           HD3      ARG  75  -3.056  -9.425   3.271
  552    HE   ARG  75           HE       ARG  75  -5.344  -9.329   1.842
  553   HH11  ARG  75          HH11      ARG  75  -3.076 -12.064   2.258
  554   HH12  ARG  75          HH12      ARG  75  -4.386 -13.205   2.120
  555   HH21  ARG  75          HH21      ARG  75  -6.815 -10.760   1.709
  556   HH22  ARG  75          HH22      ARG  75  -6.519 -12.498   1.905
  557    H    VAL  76           H        VAL  76  -1.319  -4.423   2.432
  558    HA   VAL  76           HA       VAL  76  -3.443  -3.552   4.340
  559    HB   VAL  76           HB       VAL  76  -1.195  -1.931   3.152
  560   HG11  VAL  76          HG11      VAL  76  -3.154  -0.430   3.176
  561   HG12  VAL  76          HG12      VAL  76  -3.532  -0.899   4.847
  562   HG13  VAL  76          HG13      VAL  76  -2.050  -0.002   4.479
  563   HG21  VAL  76          HG21      VAL  76  -1.994  -2.676   6.004
  564   HG22  VAL  76          HG22      VAL  76  -0.577  -3.274   5.111
  565   HG23  VAL  76          HG23      VAL  76  -0.679  -1.568   5.581
  566    H    ASN  77           H        ASN  77  -5.161  -2.350   3.712
  567    HA   ASN  77           HA       ASN  77  -5.649  -1.943   0.789
  568    HB2  ASN  77           HB2      ASN  77  -6.693  -4.061   1.623
  569    HB3  ASN  77           HB3      ASN  77  -7.566  -3.119   2.841
  570   HD21  ASN  77          HD22      ASN  77  -7.193  -3.636  -0.708
  571   HD22  ASN  77          HD21      ASN  77  -8.729  -2.878  -1.116
  572    H    ASN  78           H        ASN  78  -7.044  -0.288   0.207
  573    HA   ASN  78           HA       ASN  78  -8.309   1.467   2.241
  574    HB2  ASN  78           HB2      ASN  78  -6.198   2.306   0.205
  575    HB3  ASN  78           HB3      ASN  78  -7.313   3.463   0.908
  576   HD21  ASN  78          HD22      ASN  78  -7.286   3.812   3.291
  577   HD22  ASN  78          HD21      ASN  78  -5.741   3.588   4.096
  578    H    SER  79           H        SER  79  -9.485  -0.468   0.277
  579    HA   SER  79           HA       SER  79 -10.119   0.751  -2.177
  580    HB2  SER  79           HB2      SER  79 -11.607  -1.428  -0.664
  581    HB3  SER  79           HB3      SER  79 -11.951  -0.953  -2.334
  582    HG   SER  79           HG       SER  79 -10.549  -2.590  -2.525
  583    H    LEU  80           H        LEU  80 -12.062   1.026   0.793
  584    HA   LEU  80           HA       LEU  80 -13.934   2.882  -0.653
  585    HB2  LEU  80           HB2      LEU  80 -13.939   1.712   2.160
  586    HB3  LEU  80           HB3      LEU  80 -15.042   2.969   1.629
  587    HG   LEU  80           HG       LEU  80 -14.898   0.126   0.571
  588   HD11  LEU  80          HD11      LEU  80 -16.029   0.504   2.772
  589   HD12  LEU  80          HD12      LEU  80 -17.109   1.675   2.006
  590   HD13  LEU  80          HD13      LEU  80 -17.161  -0.032   1.518
  591   HD21  LEU  80          HD21      LEU  80 -15.428   1.491  -1.373
  592   HD22  LEU  80          HD22      LEU  80 -16.944   0.800  -0.793
  593   HD23  LEU  80          HD23      LEU  80 -16.544   2.494  -0.435
  594    H    ASP  81           H        ASP  81 -11.314   2.945   1.700
  595    HA   ASP  81           HA       ASP  81 -11.709   5.566   2.626
  596    HB2  ASP  81           HB2      ASP  81  -9.032   4.143   2.226
  597    HB3  ASP  81           HB3      ASP  81  -9.390   5.370   3.427
  598    H    HIS  82           H        HIS  82 -10.110   4.443  -0.278
  599    HA   HIS  82           HA       HIS  82  -9.047   6.958  -1.213
  600    HB2  HIS  82           HB2      HIS  82  -8.370   4.723  -2.019
  601    HB3  HIS  82           HB3      HIS  82 -10.003   4.418  -2.610
  602    HD1  HIS  82           HD1      HIS  82 -10.670   5.550  -4.952
  603    HD2  HIS  82           HD2      HIS  82  -6.806   6.393  -3.491
  604    HE1  HIS  82           HE1      HIS  82  -9.379   6.597  -6.888
  605    H    GLU  83           H        GLU  83 -12.368   5.780  -1.040
  606    HA   GLU  83           HA       GLU  83 -13.205   7.280  -3.395
  607    HB2  GLU  83           HB2      GLU  83 -14.850   5.546  -1.528
  608    HB3  GLU  83           HB3      GLU  83 -15.406   6.261  -3.035
  609    HG2  GLU  83           HG2      GLU  83 -13.150   4.241  -2.780
  610    HG3  GLU  83           HG3      GLU  83 -14.790   3.886  -3.310
  611    H    TYR  84           H        TYR  84 -13.966   7.420   0.064
  612    HA   TYR  84           HA       TYR  84 -15.847   9.629  -0.420
  613    HB2  TYR  84           HB2      TYR  84 -15.093   8.224   2.151
  614    HB3  TYR  84           HB3      TYR  84 -16.481   9.276   1.897
  615    HD1  TYR  84           HD2      TYR  84 -17.935   8.506  -0.336
  616    HD2  TYR  84           HD1      TYR  84 -15.609   5.951   2.247
  617    HE1  TYR  84           HE2      TYR  84 -19.305   6.556  -1.039
  618    HE2  TYR  84           HE1      TYR  84 -16.992   4.017   1.578
  619    HH   TYR  84           HH       TYR  84 -18.690   3.259   0.237
  620    H    GLN  85           H        GLN  85 -12.644   9.426   1.129
  621    HA   GLN  85           HA       GLN  85 -13.173  12.057   2.437
  622    HB2  GLN  85           HB2      GLN  85 -12.622  11.030   4.546
  623    HB3  GLN  85           HB3      GLN  85 -13.901  10.120   3.736
  624    HG2  GLN  85           HG2      GLN  85 -12.369   8.334   3.150
  625    HG3  GLN  85           HG3      GLN  85 -10.986   9.230   3.775
  626   HE21  GLN  85          HE22      GLN  85 -12.641   6.575   4.624
  627   HE22  GLN  85          HE21      GLN  85 -12.815   6.870   6.361
  628    HA   PRO  86           HA       PRO  86  -8.806  13.080   2.056
  629    HB2  PRO  86           HB2      PRO  86  -8.417  14.653   4.279
  630    HB3  PRO  86           HB3      PRO  86  -9.334  15.204   2.839
  631    HG2  PRO  86           HG2      PRO  86 -10.404  14.046   5.430
  632    HG3  PRO  86           HG3      PRO  86 -10.958  15.516   4.566
  633    HD2  PRO  86           HD2      PRO  86 -12.231  13.135   4.296
  634    HD3  PRO  86           HD3      PRO  86 -12.041  14.232   2.899
  635    H    ARG  87           H        ARG  87 -10.112  11.409   4.823
  636    HA   ARG  87           HA       ARG  87  -9.362   9.852   6.196
  637    HB2  ARG  87           HB2      ARG  87  -8.552   9.042   3.948
  638    HB3  ARG  87           HB3      ARG  87  -6.937   9.586   4.382
  639    HG2  ARG  87           HG2      ARG  87  -7.206   7.194   4.759
  640    HG3  ARG  87           HG3      ARG  87  -6.899   8.023   6.290
  641    HD2  ARG  87           HD2      ARG  87  -9.219   7.780   6.982
  642    HD3  ARG  87           HD3      ARG  87  -9.714   7.394   5.334
  643    HE   ARG  87           HE       ARG  87  -9.405   5.212   5.799
  644   HH11  ARG  87          HH11      ARG  87  -6.916   6.792   7.805
  645   HH12  ARG  87          HH12      ARG  87  -6.480   5.247   8.504
  646   HH21  ARG  87          HH22      ARG  87  -8.739   3.405   6.659
  647   HH22  ARG  87          HH21      ARG  87  -7.484   3.379   7.909
  648    HA   PRO  88           HA       PRO  88  -6.604  12.817   8.489
  649    HB2  PRO  88           HB2      PRO  88  -8.161  13.294  10.646
  650    HB3  PRO  88           HB3      PRO  88  -8.498  14.033   9.055
  651    HG2  PRO  88           HG2      PRO  88  -9.764  11.510  10.205
  652    HG3  PRO  88           HG3      PRO  88 -10.591  12.952   9.547
  653    HD2  PRO  88           HD2      PRO  88 -10.118  10.748   8.033
  654    HD3  PRO  88           HD3      PRO  88  -9.993  12.383   7.329
  655    H    VAL  89           H        VAL  89  -5.263  10.885   8.517
  656    HA   VAL  89           HA       VAL  89  -5.623   8.537   9.812
  657    HB   VAL  89           HB       VAL  89  -3.148  10.126   9.175
  658   HG11  VAL  89          HG11      VAL  89  -1.689   8.164   9.653
  659   HG12  VAL  89          HG12      VAL  89  -2.310   8.940  11.107
  660   HG13  VAL  89          HG13      VAL  89  -3.032   7.417  10.552
  661   HG21  VAL  89          HG21      VAL  89  -2.852   8.339   7.510
  662   HG22  VAL  89          HG22      VAL  89  -4.242   7.455   8.179
  663   HG23  VAL  89          HG23      VAL  89  -4.477   9.029   7.389
  664    H    GLU  90           H        GLU  90  -4.365  11.412  11.560
  665    HA   GLU  90           HA       GLU  90  -3.784   9.948  13.987
  666    HB2  GLU  90           HB2      GLU  90  -4.462  12.903  13.690
  667    HB3  GLU  90           HB3      GLU  90  -3.669  12.128  15.074
  668    HG2  GLU  90           HG2      GLU  90  -1.815  11.415  13.486
  669    HG3  GLU  90           HG3      GLU  90  -2.581  12.430  12.253
  670    H    VAL  91           H        VAL  91  -6.684  11.587  12.782
  671    HA   VAL  91           HA       VAL  91  -8.224  11.318  15.240
  672    HB   VAL  91           HB       VAL  91  -9.168  11.852  12.404
  673   HG11  VAL  91          HG11      VAL  91 -11.044  11.140  13.810
  674   HG12  VAL  91          HG12      VAL  91 -10.576  12.310  15.065
  675   HG13  VAL  91          HG13      VAL  91 -11.161  12.870  13.482
  676   HG21  VAL  91          HG21      VAL  91  -8.457  13.810  14.626
  677   HG22  VAL  91          HG22      VAL  91  -7.558  13.582  13.115
  678   HG23  VAL  91          HG23      VAL  91  -9.195  14.237  13.065
  679    H    ILE  92           H        ILE  92  -7.930   9.443  12.179
  680    HA   ILE  92           HA       ILE  92  -9.851   7.397  12.885
  681    HB   ILE  92           HB       ILE  92  -7.373   7.080  11.149
  682   HG12  ILE  92          HG12      ILE  92  -8.557   8.858  10.111
  683   HG13  ILE  92          HG13      ILE  92  -8.916   7.413   9.216
  684   HG21  ILE  92          HG21      ILE  92  -8.724   5.251  10.094
  685   HG22  ILE  92          HG22      ILE  92  -8.306   4.934  11.777
  686   HG23  ILE  92          HG23      ILE  92  -9.945   5.473  11.359
  687   HD11  ILE  92          HD11      ILE  92 -11.164   7.298  10.278
  688   HD12  ILE  92          HD12      ILE  92 -10.793   8.802  11.169
  689   HD13  ILE  92          HD13      ILE  92 -10.890   8.822   9.400
  690    H    ILE  93           H        ILE  93  -6.293   7.545  13.468
  691    HA   ILE  93           HA       ILE  93  -6.120   5.107  14.976
  692    HB   ILE  93           HB       ILE  93  -4.471   7.660  14.843
  693   HG12  ILE  93          HG12      ILE  93  -3.901   4.794  13.931
  694   HG13  ILE  93          HG13      ILE  93  -4.534   6.055  12.893
  695   HG21  ILE  93          HG21      ILE  93  -2.671   6.535  16.148
  696   HG22  ILE  93          HG22      ILE  93  -4.090   6.872  17.108
  697   HG23  ILE  93          HG23      ILE  93  -3.808   5.214  16.529
  698   HD11  ILE  93          HD11      ILE  93  -2.482   7.416  13.272
  699   HD12  ILE  93          HD12      ILE  93  -1.785   6.052  14.193
  700   HD13  ILE  93          HD13      ILE  93  -2.162   5.854  12.491
  701    H    SER  94           H        SER  94  -6.909   8.422  16.087
  702    HA   SER  94           HA       SER  94  -7.017   7.725  18.873
  703    HB2  SER  94           HB2      SER  94  -6.873  10.042  17.942
  704    HB3  SER  94           HB3      SER  94  -8.550   9.897  17.384
  705    HG   SER  94           HG       SER  94  -8.348  10.936  19.451
  706    H    SER  95           H        SER  95  -9.515   7.746  16.309
  707    HA   SER  95           HA       SER  95 -11.688   6.882  17.919
  708    HB2  SER  95           HB2      SER  95 -12.851   6.663  15.945
  709    HB3  SER  95           HB3      SER  95 -11.592   7.836  15.517
  710    HG   SER  95           HG       SER  95 -10.407   5.935  14.649
  711    H    ALA  96           H        ALA  96  -9.179   4.993  16.203
  712    HA   ALA  96           HA       ALA  96 -10.244   2.403  16.715
  713    HB1  ALA  96           HB1      ALA  96  -8.014   1.650  16.040
  714    HB2  ALA  96           HB2      ALA  96  -8.470   3.038  15.027
  715    HB3  ALA  96           HB3      ALA  96  -7.325   3.252  16.362
  716    H    LYS  97           H        LYS  97  -7.783   4.295  18.556
  717    HA   LYS  97           HA       LYS  97  -7.537   2.393  20.699
  718    HB2  LYS  97           HB2      LYS  97  -7.068   5.401  20.562
  719    HB3  LYS  97           HB3      LYS  97  -6.657   4.400  21.964
  720    HG2  LYS  97           HG2      LYS  97  -5.200   2.979  20.526
  721    HG3  LYS  97           HG3      LYS  97  -5.506   4.038  19.154
  722    HD2  LYS  97           HD2      LYS  97  -4.163   4.836  21.774
  723    HD3  LYS  97           HD3      LYS  97  -3.351   4.520  20.230
  724    HE2  LYS  97           HE2      LYS  97  -4.653   6.404  19.195
  725    HE3  LYS  97           HE3      LYS  97  -5.359   6.757  20.783
  726    HZ1  LYS  97           HZ1      LYS  97  -2.454   6.880  20.161
  727    HZ2  LYS  97           HZ2      LYS  97  -3.438   8.173  20.351
  728    HZ3  LYS  97           HZ3      LYS  97  -3.122   7.202  21.623
  729    H    GLU  98           H        GLU  98  -9.862   5.089  20.250
  730    HA   GLU  98           HA       GLU  98 -11.044   4.819  22.831
  731    HB2  GLU  98           HB2      GLU  98 -12.009   6.054  20.240
  732    HB3  GLU  98           HB3      GLU  98 -13.016   6.030  21.684
  733    HG2  GLU  98           HG2      GLU  98 -10.223   7.238  21.640
  734    HG3  GLU  98           HG3      GLU  98 -11.697   8.147  21.328
  735    H    MET  99           H        MET  99 -11.892   3.215  19.741
  736    HA   MET  99           HA       MET  99 -14.283   2.053  20.927
  737    HB2  MET  99           HB2      MET  99 -14.708   1.040  18.866
  738    HB3  MET  99           HB3      MET  99 -14.197   2.708  18.605
  739    HG2  MET  99           HG2      MET  99 -11.984   1.923  17.901
  740    HG3  MET  99           HG3      MET  99 -12.459   0.249  18.149
  741    HE1  MET  99           HE1      MET  99 -13.909  -1.152  16.495
  742    HE2  MET  99           HE2      MET  99 -15.297  -0.159  17.012
  743    HE3  MET  99           HE3      MET  99 -14.990  -0.442  15.284
  744    H    VAL 100           H        VAL 100 -11.203   1.082  21.295
  745    HA   VAL 100           HA       VAL 100 -11.261  -1.753  21.502
  746    HB   VAL 100           HB       VAL 100  -9.895   0.209  23.391
  747   HG11  VAL 100          HG11      VAL 100 -10.079  -1.972  24.520
  748   HG12  VAL 100          HG12      VAL 100  -9.497  -2.801  23.057
  749   HG13  VAL 100          HG13      VAL 100  -8.419  -1.732  23.976
  750   HG21  VAL 100          HG21      VAL 100  -7.873  -0.386  22.070
  751   HG22  VAL 100          HG22      VAL 100  -8.881  -1.403  21.006
  752   HG23  VAL 100          HG23      VAL 100  -9.104   0.360  21.053
  753    H    GLY 101           H        GLY 101 -12.392  -3.113  22.649
  754    HA2  GLY 101           HA2      GLY 101 -13.568  -3.954  24.547
  755    HA3  GLY 101           HA3      GLY 101 -13.914  -2.298  25.096
  756    H    GLN 102           H        GLN 102 -14.647  -2.115  21.863
  757    HA   GLN 102           HA       GLN 102 -17.483  -2.536  22.176
  758    HB2  GLN 102           HB2      GLN 102 -15.658  -2.067  19.776
  759    HB3  GLN 102           HB3      GLN 102 -17.365  -2.410  19.573
  760    HG2  GLN 102           HG2      GLN 102 -16.325  -0.077  21.225
  761    HG3  GLN 102           HG3      GLN 102 -16.800   0.023  19.531
  762   HE21  GLN 102          HE22      GLN 102 -19.148  -0.553  18.995
  763   HE22  GLN 102          HE21      GLN 102 -20.341  -0.249  20.248
  764    H    LYS 103           H        LYS 103 -18.747  -4.068  21.338
  765    HA   LYS 103           HA       LYS 103 -17.579  -6.674  20.480
  766    HB2  LYS 103           HB2      LYS 103 -19.728  -6.211  22.589
  767    HB3  LYS 103           HB3      LYS 103 -19.335  -7.782  21.892
  768    HG2  LYS 103           HG2      LYS 103 -17.050  -7.668  22.787
  769    HG3  LYS 103           HG3      LYS 103 -17.379  -6.057  23.461
  770    HD2  LYS 103           HD2      LYS 103 -19.215  -7.021  24.847
  771    HD3  LYS 103           HD3      LYS 103 -18.816  -8.639  24.225
  772    HE2  LYS 103           HE2      LYS 103 -16.524  -8.432  25.139
  773    HE3  LYS 103           HE3      LYS 103 -16.891  -6.806  25.739
  774    HZ1  LYS 103           HZ1      LYS 103 -17.108  -8.464  27.483
  775    HZ2  LYS 103           HZ2      LYS 103 -18.571  -7.796  27.199
  776    HZ3  LYS 103           HZ3      LYS 103 -18.233  -9.298  26.641
  777    H    MET 104           H        MET 104 -18.602  -7.622  18.777
  778    HA   MET 104           HA       MET 104 -21.337  -6.711  17.957
  779    HB2  MET 104           HB2      MET 104 -18.918  -6.814  16.116
  780    HB3  MET 104           HB3      MET 104 -20.576  -6.463  15.644
  781    HG2  MET 104           HG2      MET 104 -19.757  -4.338  15.764
  782    HG3  MET 104           HG3      MET 104 -20.430  -4.506  17.370
  783    HE1  MET 104           HE1      MET 104 -17.026  -5.696  15.663
  784    HE2  MET 104           HE2      MET 104 -17.355  -4.032  15.126
  785    HE3  MET 104           HE3      MET 104 -15.969  -4.369  16.187
  786    H    LYS 105           H        LYS 105 -22.618  -8.225  17.048
  787    HA   LYS 105           HA       LYS 105 -21.495 -10.681  15.854
  788    HB2  LYS 105           HB2      LYS 105 -21.999 -10.843  18.485
  789    HB3  LYS 105           HB3      LYS 105 -23.650 -11.099  17.930
  790    HG2  LYS 105           HG2      LYS 105 -22.735 -12.957  16.426
  791    HG3  LYS 105           HG3      LYS 105 -21.151 -12.694  17.167
  792    HD2  LYS 105           HD2      LYS 105 -22.216 -13.216  19.426
  793    HD3  LYS 105           HD3      LYS 105 -23.703 -13.634  18.548
  794    HE2  LYS 105           HE2      LYS 105 -22.337 -15.253  17.158
  795    HE3  LYS 105           HE3      LYS 105 -20.943 -14.919  18.205
  796    HZ1  LYS 105           HZ1      LYS 105 -23.529 -16.069  19.121
  797    HZ2  LYS 105           HZ2      LYS 105 -22.147 -16.919  18.862
  798    HZ3  LYS 105           HZ3      LYS 105 -22.202 -15.825  20.078
  799    H    TYR 106           H        TYR 106 -22.925  -8.329  14.856
  800    HA   TYR 106           HA       TYR 106 -25.724  -9.012  14.480
  801    HB2  TYR 106           HB2      TYR 106 -24.102  -6.768  13.244
  802    HB3  TYR 106           HB3      TYR 106 -25.848  -6.836  13.429
  803    HD1  TYR 106           HD1      TYR 106 -26.632  -7.295  16.005
  804    HD2  TYR 106           HD2      TYR 106 -22.933  -5.442  14.789
  805    HE1  TYR 106           HE1      TYR 106 -26.422  -6.240  18.249
  806    HE2  TYR 106           HE2      TYR 106 -22.734  -4.368  17.014
  807    HH   TYR 106           HH       TYR 106 -23.660  -4.119  19.105
  808    H    SER 107           H        SER 107 -23.003 -10.020  12.720
  809    HA   SER 107           HA       SER 107 -24.640 -11.113  10.580
  810    HB2  SER 107           HB2      SER 107 -24.154  -8.716   9.849
  811    HB3  SER 107           HB3      SER 107 -22.448  -9.176   9.748
  812    HG   SER 107           HG       SER 107 -23.893  -9.397   7.779
  813    H    ILE 108           H        ILE 108 -22.992 -12.080   8.864
  814    HA   ILE 108           HA       ILE 108 -21.578 -14.210  10.195
  815    HB   ILE 108           HB       ILE 108 -21.413 -13.290   7.286
  816   HG12  ILE 108          HG12      ILE 108 -23.740 -13.717   7.777
  817   HG13  ILE 108          HG13      ILE 108 -23.111 -15.000   6.771
  818   HG21  ILE 108          HG21      ILE 108 -19.600 -14.823   7.704
  819   HG22  ILE 108          HG22      ILE 108 -20.671 -15.961   8.557
  820   HG23  ILE 108          HG23      ILE 108 -20.841 -15.689   6.815
  821   HD11  ILE 108          HD11      ILE 108 -22.967 -16.501   8.759
  822   HD12  ILE 108          HD12      ILE 108 -23.614 -15.188   9.773
  823   HD13  ILE 108          HD13      ILE 108 -24.607 -15.885   8.489
  824    H    VAL 109           H        VAL 109 -19.328 -14.609  10.357
  825    HA   VAL 109           HA       VAL 109 -17.888 -12.591  11.476
  826    HB   VAL 109           HB       VAL 109 -16.563 -14.969  10.115
  827   HG11  VAL 109          HG11      VAL 109 -15.688 -13.260  12.494
  828   HG12  VAL 109          HG12      VAL 109 -14.896 -14.759  11.976
  829   HG13  VAL 109          HG13      VAL 109 -14.885 -13.358  10.907
  830   HG21  VAL 109          HG21      VAL 109 -18.343 -15.831  11.528
  831   HG22  VAL 109          HG22      VAL 109 -16.817 -16.065  12.380
  832   HG23  VAL 109          HG23      VAL 109 -17.891 -14.725  12.842
  833    H    SER 110           H        SER 110 -17.639 -13.437   7.994
  834    HA   SER 110           HA       SER 110 -15.447 -11.711   7.314
  835    HB2  SER 110           HB2      SER 110 -16.460 -11.877   5.013
  836    HB3  SER 110           HB3      SER 110 -16.141 -13.432   5.808
  837    HG   SER 110           HG       SER 110 -18.217 -13.377   4.826
  838    H    ARG 111           H        ARG 111 -19.007 -11.115   6.992
  839    HA   ARG 111           HA       ARG 111 -18.616  -8.340   6.416
  840    HB2  ARG 111           HB2      ARG 111 -20.698  -9.663   5.831
  841    HB3  ARG 111           HB3      ARG 111 -21.138  -9.613   7.539
  842    HG2  ARG 111           HG2      ARG 111 -22.337  -7.851   6.406
  843    HG3  ARG 111           HG3      ARG 111 -21.104  -7.046   7.393
  844    HD2  ARG 111           HD2      ARG 111 -19.672  -6.773   5.432
  845    HD3  ARG 111           HD3      ARG 111 -20.816  -7.670   4.416
  846    HE   ARG 111           HE       ARG 111 -22.306  -5.597   5.490
  847   HH11  ARG 111          HH11      ARG 111 -19.330  -5.731   3.543
  848   HH12  ARG 111          HH12      ARG 111 -19.694  -4.218   2.749
  849   HH21  ARG 111          HH21      ARG 111 -22.680  -3.644   4.435
  850   HH22  ARG 111          HH22      ARG 111 -21.546  -3.046   3.266
  851    H    ASN 112           H        ASN 112 -19.091 -10.050   9.479
  852    HA   ASN 112           HA       ASN 112 -19.420  -7.766  11.159
  853    HB2  ASN 112           HB2      ASN 112 -19.675 -10.271  11.696
  854    HB3  ASN 112           HB3      ASN 112 -17.928 -10.312  11.907
  855   HD21  ASN 112          HD22      ASN 112 -19.001 -11.119  14.095
  856   HD22  ASN 112          HD21      ASN 112 -19.162  -9.849  15.308
  857    H    CYS 113           H        CYS 113 -16.445  -9.230   9.834
  858    HA   CYS 113           HA       CYS 113 -14.659  -7.355  11.120
  859    HB2  CYS 113           HB2      CYS 113 -14.401  -9.792   9.807
  860    HB3  CYS 113           HB3      CYS 113 -13.717  -8.672   8.629
  861    HG   CYS 113           HG       CYS 113 -12.860  -9.638  11.627
  862    H    GLU 114           H        GLU 114 -16.145  -7.373   7.817
  863    HA   GLU 114           HA       GLU 114 -15.014  -4.875   6.954
  864    HB2  GLU 114           HB2      GLU 114 -17.681  -6.130   6.240
  865    HB3  GLU 114           HB3      GLU 114 -16.965  -4.737   5.426
  866    HG2  GLU 114           HG2      GLU 114 -14.961  -6.160   4.874
  867    HG3  GLU 114           HG3      GLU 114 -15.844  -7.560   5.491
  868    H    HIS 115           H        HIS 115 -18.127  -5.511   8.604
  869    HA   HIS 115           HA       HIS 115 -19.124  -2.939   9.026
  870    HB2  HIS 115           HB2      HIS 115 -20.397  -4.904   9.491
  871    HB3  HIS 115           HB3      HIS 115 -19.187  -5.532  10.595
  872    HD1  HIS 115           HD1      HIS 115 -21.908  -2.782  10.593
  873    HD2  HIS 115           HD2      HIS 115 -19.463  -5.114  13.105
  874    HE1  HIS 115           HE1      HIS 115 -22.740  -2.397  12.966
  875    H    PHE 116           H        PHE 116 -16.789  -4.800  11.034
  876    HA   PHE 116           HA       PHE 116 -16.184  -2.814  12.974
  877    HB2  PHE 116           HB2      PHE 116 -15.609  -4.987  13.525
  878    HB3  PHE 116           HB3      PHE 116 -14.954  -5.358  11.972
  879    HD1  PHE 116           HD2      PHE 116 -14.242  -3.170  14.937
  880    HD2  PHE 116           HD1      PHE 116 -12.625  -5.399  11.612
  881    HE1  PHE 116           HE2      PHE 116 -11.943  -2.746  15.766
  882    HE2  PHE 116           HE1      PHE 116 -10.329  -4.985  12.467
  883    HZ   PHE 116           HZ       PHE 116  -9.986  -3.668  14.551
  884    H    VAL 117           H        VAL 117 -14.253  -3.592   9.949
  885    HA   VAL 117           HA       VAL 117 -12.597  -1.281  10.488
  886    HB   VAL 117           HB       VAL 117 -11.749  -1.385   8.158
  887   HG11  VAL 117          HG11      VAL 117 -10.417  -3.355   8.592
  888   HG12  VAL 117          HG12      VAL 117 -10.632  -2.407  10.063
  889   HG13  VAL 117          HG13      VAL 117 -11.583  -3.896   9.835
  890   HG21  VAL 117          HG21      VAL 117 -12.170  -3.267   6.741
  891   HG22  VAL 117          HG22      VAL 117 -13.283  -3.980   7.919
  892   HG23  VAL 117          HG23      VAL 117 -13.722  -2.477   7.071
  893    H    THR 118           H        THR 118 -15.681  -1.417   8.834
  894    HA   THR 118           HA       THR 118 -15.422   1.306   7.747
  895    HB   THR 118           HB       THR 118 -18.071   0.108   8.449
  896    HG1  THR 118           HG1      THR 118 -16.937  -1.504   7.246
  897   HG21  THR 118          HG21      THR 118 -18.784   1.334   6.460
  898   HG22  THR 118          HG22      THR 118 -17.943   2.441   7.556
  899   HG23  THR 118          HG23      THR 118 -17.120   1.818   6.106
  900    H    GLN 119           H        GLN 119 -16.638  -0.029  10.857
  901    HA   GLN 119           HA       GLN 119 -17.195   2.573  11.982
  902    HB2  GLN 119           HB2      GLN 119 -16.732  -0.169  13.135
  903    HB3  GLN 119           HB3      GLN 119 -16.852   1.242  14.192
  904    HG2  GLN 119           HG2      GLN 119 -19.052   1.788  13.477
  905    HG3  GLN 119           HG3      GLN 119 -18.960   0.731  12.067
  906   HE21  GLN 119          HE22      GLN 119 -18.696  -1.630  12.491
  907   HE22  GLN 119          HE21      GLN 119 -19.731  -2.266  13.769
  908    H    LEU 120           H        LEU 120 -14.110   0.875  11.556
  909    HA   LEU 120           HA       LEU 120 -12.613   2.764  13.198
  910    HB2  LEU 120           HB2      LEU 120 -11.839   0.746  11.052
  911    HB3  LEU 120           HB3      LEU 120 -10.660   1.831  11.757
  912    HG   LEU 120           HG       LEU 120 -12.377   0.036  13.522
  913   HD11  LEU 120          HD11      LEU 120 -10.181  -1.384  13.546
  914   HD12  LEU 120          HD12      LEU 120 -11.317  -1.593  12.211
  915   HD13  LEU 120          HD13      LEU 120  -9.847  -0.625  11.981
  916   HD21  LEU 120          HD21      LEU 120  -9.621   1.280  13.913
  917   HD22  LEU 120          HD22      LEU 120 -11.119   1.967  14.564
  918   HD23  LEU 120          HD23      LEU 120 -10.555   0.379  15.121
  919    H    ARG 121           H        ARG 121 -12.821   2.470   9.586
  920    HA   ARG 121           HA       ARG 121 -11.698   5.126   9.248
  921    HB2  ARG 121           HB2      ARG 121 -11.818   4.763   6.908
  922    HB3  ARG 121           HB3      ARG 121 -11.329   3.249   7.663
  923    HG2  ARG 121           HG2      ARG 121 -13.753   2.518   7.535
  924    HG3  ARG 121           HG3      ARG 121 -14.108   3.945   6.565
  925    HD2  ARG 121           HD2      ARG 121 -12.803   3.195   4.750
  926    HD3  ARG 121           HD3      ARG 121 -11.896   2.061   5.770
  927    HE   ARG 121           HE       ARG 121 -14.766   1.500   5.536
  928   HH11  ARG 121          HH11      ARG 121 -11.666   0.910   3.931
  929   HH12  ARG 121          HH12      ARG 121 -12.092  -0.734   3.528
  930   HH21  ARG 121          HH21      ARG 121 -15.239  -0.652   5.032
  931   HH22  ARG 121          HH22      ARG 121 -14.127  -1.572   4.066
  932    H    TYR 122           H        TYR 122 -14.660   4.462  10.352
  933    HA   TYR 122           HA       TYR 122 -16.619   5.588   8.911
  934    HB2  TYR 122           HB2      TYR 122 -16.535   4.447  11.250
  935    HB3  TYR 122           HB3      TYR 122 -16.430   6.044  11.905
  936    HD1  TYR 122           HD2      TYR 122 -18.545   3.651  10.015
  937    HD2  TYR 122           HD1      TYR 122 -18.393   7.508  11.944
  938    HE1  TYR 122           HE2      TYR 122 -21.023   3.791   9.915
  939    HE2  TYR 122           HE1      TYR 122 -20.879   7.647  11.853
  940    HH   TYR 122           HH       TYR 122 -22.880   5.035  10.434
  941    H    GLY 123           H        GLY 123 -14.136   7.237  10.703
  942    HA2  GLY 123           HA2      GLY 123 -15.018   9.529  11.772
  943    HA3  GLY 123           HA3      GLY 123 -13.435   9.418  11.000
  944    H    LYS 124           H        LYS 124 -13.877   9.516   8.351
  945    HA   LYS 124           HA       LYS 124 -15.665  11.863   7.835
  946    HB2  LYS 124           HB2      LYS 124 -12.710  11.518   7.216
  947    HB3  LYS 124           HB3      LYS 124 -13.740  12.569   6.219
  948    HG2  LYS 124           HG2      LYS 124 -14.508  13.681   8.404
  949    HG3  LYS 124           HG3      LYS 124 -13.160  12.839   9.187
  950    HD2  LYS 124           HD2      LYS 124 -11.598  13.935   7.556
  951    HD3  LYS 124           HD3      LYS 124 -12.955  14.802   6.845
  952    HE2  LYS 124           HE2      LYS 124 -12.082  15.027   9.771
  953    HE3  LYS 124           HE3      LYS 124 -11.581  16.131   8.488
  954    HZ1  LYS 124           HZ1      LYS 124 -13.457  17.039   9.684
  955    HZ2  LYS 124           HZ2      LYS 124 -13.918  16.724   8.151
  956    HZ3  LYS 124           HZ3      LYS 124 -14.387  15.736   9.378
  957    H    SER 125           H        SER 125 -15.516   8.741   7.115
  958    HA   SER 125           HA       SER 125 -16.002   8.712   4.243
  959    HB2  SER 125           HB2      SER 125 -16.855   6.465   4.623
  960    HB3  SER 125           HB3      SER 125 -15.323   6.664   5.507
  961    HG   SER 125           HG       SER 125 -17.694   7.465   6.691
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  12.389 -14.954  -5.111
    2    H2   MET   1           H2       MET   1  12.513 -15.261  -3.513
    3    H3   MET   1           H3       MET   1  12.551 -16.498  -4.591
    4    HA   MET   1           HA       MET   1  10.294 -16.060  -5.280
    5    HB2  MET   1           HB2      MET   1   9.125 -16.968  -3.389
    6    HB3  MET   1           HB3      MET   1  10.698 -17.744  -3.521
    7    HG2  MET   1           HG2      MET   1  11.554 -16.316  -1.673
    8    HG3  MET   1           HG3      MET   1   9.978 -15.527  -1.556
    9    HE1  MET   1           HE1      MET   1   9.830 -15.977   1.016
   10    HE2  MET   1           HE2      MET   1  10.109 -17.564   1.761
   11    HE3  MET   1           HE3      MET   1  11.443 -16.724   0.944
   12    H    ALA   2           H        ALA   2   8.174 -15.070  -4.687
   13    HA   ALA   2           HA       ALA   2   8.414 -12.191  -4.293
   14    HB1  ALA   2           HB1      ALA   2   5.986 -12.228  -4.717
   15    HB2  ALA   2           HB2      ALA   2   6.854 -13.192  -5.924
   16    HB3  ALA   2           HB3      ALA   2   5.973 -13.998  -4.602
   17    H    SER   3           H        SER   3   7.037 -11.012  -2.755
   18    HA   SER   3           HA       SER   3   5.954 -12.102  -0.339
   19    HB2  SER   3           HB2      SER   3   8.786 -10.988  -0.216
   20    HB3  SER   3           HB3      SER   3   7.710 -10.928   1.183
   21    HG   SER   3           HG       SER   3   8.131 -13.343  -0.221
   22    HA   PRO   4           HA       PRO   4   4.298  -7.964  -0.454
   23    HB2  PRO   4           HB2      PRO   4   3.334  -7.564   2.052
   24    HB3  PRO   4           HB3      PRO   4   2.629  -8.782   0.940
   25    HG2  PRO   4           HG2      PRO   4   4.678  -9.254   3.133
   26    HG3  PRO   4           HG3      PRO   4   3.157 -10.150   2.839
   27    HD2  PRO   4           HD2      PRO   4   5.548 -11.050   1.915
   28    HD3  PRO   4           HD3      PRO   4   4.052 -11.239   0.945
   29    H    HIS   5           H        HIS   5   4.816  -5.823  -0.042
   30    HA   HIS   5           HA       HIS   5   7.092  -5.172   1.795
   31    HB2  HIS   5           HB2      HIS   5   6.890  -4.670  -1.208
   32    HB3  HIS   5           HB3      HIS   5   7.996  -3.793  -0.163
   33    HD1  HIS   5           HD1      HIS   5   7.498  -7.455  -1.370
   34    HD2  HIS   5           HD2      HIS   5  10.269  -4.870   0.472
   35    HE1  HIS   5           HE1      HIS   5   9.712  -8.692  -1.327
   36    H    GLN   6           H        GLN   6   4.146  -4.678   1.930
   37    HA   GLN   6           HA       GLN   6   3.737  -1.871   1.156
   38    HB2  GLN   6           HB2      GLN   6   1.912  -3.941   2.474
   39    HB3  GLN   6           HB3      GLN   6   1.447  -2.280   2.127
   40    HG2  GLN   6           HG2      GLN   6   0.578  -3.462   0.332
   41    HG3  GLN   6           HG3      GLN   6   2.033  -2.732  -0.325
   42   HE21  GLN   6          HE22      GLN   6   0.516  -5.819   0.707
   43   HE22  GLN   6          HE21      GLN   6   1.694  -6.831  -0.117
   44    H    GLU   7           H        GLU   7   3.742  -0.095   2.485
   45    HA   GLU   7           HA       GLU   7   4.498  -0.458   5.325
   46    HB2  GLU   7           HB2      GLU   7   5.796   1.089   3.929
   47    HB3  GLU   7           HB3      GLU   7   4.340   2.045   3.618
   48    HG2  GLU   7           HG2      GLU   7   4.151   2.453   6.104
   49    HG3  GLU   7           HG3      GLU   7   5.662   1.572   6.330
   50    HA   PRO   8           HA       PRO   8   0.164   0.736   6.234
   51    HB2  PRO   8           HB2      PRO   8  -0.001  -0.119   8.792
   52    HB3  PRO   8           HB3      PRO   8  -0.048  -1.252   7.402
   53    HG2  PRO   8           HG2      PRO   8   2.334  -0.543   9.132
   54    HG3  PRO   8           HG3      PRO   8   1.760  -2.171   8.650
   55    HD2  PRO   8           HD2      PRO   8   3.769  -0.790   7.351
   56    HD3  PRO   8           HD3      PRO   8   2.671  -1.932   6.507
   57    H    LYS   9           H        LYS   9  -0.612   2.580   7.279
   58    HA   LYS   9           HA       LYS   9   1.489   4.427   8.290
   59    HB2  LYS   9           HB2      LYS   9  -1.196   4.774   6.937
   60    HB3  LYS   9           HB3      LYS   9  -0.503   6.090   7.882
   61    HG2  LYS   9           HG2      LYS   9  -0.002   6.318   5.506
   62    HG3  LYS   9           HG3      LYS   9   1.454   6.214   6.496
   63    HD2  LYS   9           HD2      LYS   9   1.900   3.944   5.759
   64    HD3  LYS   9           HD3      LYS   9   0.309   3.824   5.001
   65    HE2  LYS   9           HE2      LYS   9   1.946   4.147   3.264
   66    HE3  LYS   9           HE3      LYS   9   0.948   5.601   3.373
   67    HZ1  LYS   9           HZ1      LYS   9   3.289   6.162   3.177
   68    HZ2  LYS   9           HZ2      LYS   9   2.772   6.646   4.648
   69    HZ3  LYS   9           HZ3      LYS   9   3.695   5.291   4.496
   70    HA   PRO  10           HA       PRO  10  -0.014   3.907  12.382
   71    HB2  PRO  10           HB2      PRO  10   0.978   6.069  13.700
   72    HB3  PRO  10           HB3      PRO  10   2.014   4.741  13.073
   73    HG2  PRO  10           HG2      PRO  10   1.407   7.416  11.757
   74    HG3  PRO  10           HG3      PRO  10   3.001   6.628  11.994
   75    HD2  PRO  10           HD2      PRO  10   1.646   6.431   9.642
   76    HD3  PRO  10           HD3      PRO  10   2.582   5.047  10.294
   77    H    GLY  11           H        GLY  11  -1.897   4.065  13.250
   78    HA2  GLY  11           HA2      GLY  11  -3.961   4.903  13.910
   79    HA3  GLY  11           HA3      GLY  11  -3.586   6.475  13.167
   80    H    ASP  12           H        ASP  12  -2.951   4.104  10.878
   81    HA   ASP  12           HA       ASP  12  -5.642   4.448   9.656
   82    HB2  ASP  12           HB2      ASP  12  -3.207   5.127   8.579
   83    HB3  ASP  12           HB3      ASP  12  -3.438   3.514   7.906
   84    H    LEU  13           H        LEU  13  -6.132   2.698   8.044
   85    HA   LEU  13           HA       LEU  13  -6.330   0.214   9.664
   86    HB2  LEU  13           HB2      LEU  13  -8.327   1.589   9.410
   87    HB3  LEU  13           HB3      LEU  13  -8.137   1.600   7.651
   88    HG   LEU  13           HG       LEU  13  -8.577  -0.785   7.539
   89   HD11  LEU  13          HD11      LEU  13  -9.389  -1.990   9.568
   90   HD12  LEU  13          HD12      LEU  13  -7.716  -1.537   9.727
   91   HD13  LEU  13          HD13      LEU  13  -8.954  -0.594  10.580
   92   HD21  LEU  13          HD21      LEU  13 -10.456   0.800   7.396
   93   HD22  LEU  13          HD22      LEU  13 -10.999  -0.658   8.243
   94   HD23  LEU  13          HD23      LEU  13 -10.630   0.805   9.166
   95    H    ILE  14           H        ILE  14  -5.709  -1.666   8.962
   96    HA   ILE  14           HA       ILE  14  -4.819  -2.114   6.143
   97    HB   ILE  14           HB       ILE  14  -4.067  -3.828   8.528
   98   HG12  ILE  14          HG12      ILE  14  -2.403  -1.395   7.785
   99   HG13  ILE  14          HG13      ILE  14  -3.434  -1.481   9.211
  100   HG21  ILE  14          HG21      ILE  14  -2.104  -4.382   7.167
  101   HG22  ILE  14          HG22      ILE  14  -3.535  -4.582   6.184
  102   HG23  ILE  14          HG23      ILE  14  -2.528  -3.129   5.983
  103   HD11  ILE  14          HD11      ILE  14  -2.186  -3.495  10.009
  104   HD12  ILE  14          HD12      ILE  14  -1.005  -3.219   8.700
  105   HD13  ILE  14          HD13      ILE  14  -1.244  -2.001   9.954
  106    H    GLU  15           H        GLU  15  -5.551  -3.953   5.047
  107    HA   GLU  15           HA       GLU  15  -7.464  -5.820   6.434
  108    HB2  GLU  15           HB2      GLU  15  -7.145  -5.155   3.474
  109    HB3  GLU  15           HB3      GLU  15  -8.078  -6.521   4.108
  110    HG2  GLU  15           HG2      GLU  15  -9.505  -4.946   5.361
  111    HG3  GLU  15           HG3      GLU  15  -8.625  -3.593   4.609
  112    H    ILE  16           H        ILE  16  -6.417  -7.637   7.020
  113    HA   ILE  16           HA       ILE  16  -3.967  -8.530   5.519
  114    HB   ILE  16           HB       ILE  16  -4.705  -8.897   8.462
  115   HG12  ILE  16          HG12      ILE  16  -2.562  -7.090   7.250
  116   HG13  ILE  16          HG13      ILE  16  -4.104  -6.526   7.895
  117   HG21  ILE  16          HG21      ILE  16  -3.349 -10.776   7.609
  118   HG22  ILE  16          HG22      ILE  16  -2.184  -9.641   6.895
  119   HG23  ILE  16          HG23      ILE  16  -2.359  -9.781   8.650
  120   HD11  ILE  16          HD11      ILE  16  -3.478  -7.392  10.134
  121   HD12  ILE  16          HD12      ILE  16  -1.860  -7.792   9.500
  122   HD13  ILE  16          HD13      ILE  16  -2.405  -6.115   9.524
  123    H    PHE  17           H        PHE  17  -4.015 -10.531   4.615
  124    HA   PHE  17           HA       PHE  17  -6.453 -12.140   4.779
  125    HB2  PHE  17           HB2      PHE  17  -5.154 -11.547   2.697
  126    HB3  PHE  17           HB3      PHE  17  -3.862 -12.592   3.248
  127    HD1  PHE  17           HD2      PHE  17  -7.516 -12.536   2.371
  128    HD2  PHE  17           HD1      PHE  17  -3.944 -14.934   2.687
  129    HE1  PHE  17           HE2      PHE  17  -8.655 -14.390   1.175
  130    HE2  PHE  17           HE1      PHE  17  -5.085 -16.783   1.484
  131    HZ   PHE  17           HZ       PHE  17  -7.436 -16.501   0.707
  132    H    ARG  18           H        ARG  18  -6.056 -12.437   7.186
  133    HA   ARG  18           HA       ARG  18  -3.831 -13.816   8.186
  134    HB2  ARG  18           HB2      ARG  18  -6.061 -12.546   9.269
  135    HB3  ARG  18           HB3      ARG  18  -6.251 -14.193   9.830
  136    HG2  ARG  18           HG2      ARG  18  -3.876 -12.361  10.260
  137    HG3  ARG  18           HG3      ARG  18  -5.048 -12.874  11.466
  138    HD2  ARG  18           HD2      ARG  18  -4.241 -15.224  11.291
  139    HD3  ARG  18           HD3      ARG  18  -3.067 -14.721  10.074
  140    HE   ARG  18           HE       ARG  18  -1.748 -13.666  11.629
  141   HH11  ARG  18          HH11      ARG  18  -4.598 -14.883  13.364
  142   HH12  ARG  18          HH12      ARG  18  -3.776 -14.831  14.894
  143   HH21  ARG  18          HH21      ARG  18  -0.750 -13.689  13.601
  144   HH22  ARG  18          HH22      ARG  18  -1.633 -14.116  15.031
  145    H    LEU  19           H        LEU  19  -6.803 -15.271   6.971
  146    HA   LEU  19           HA       LEU  19  -5.800 -18.017   7.483
  147    HB2  LEU  19           HB2      LEU  19  -7.710 -18.491   9.021
  148    HB3  LEU  19           HB3      LEU  19  -6.492 -17.389   9.630
  149    HG   LEU  19           HG       LEU  19  -7.968 -15.451   9.227
  150   HD11  LEU  19          HD11      LEU  19  -9.390 -16.222   7.405
  151   HD12  LEU  19          HD12      LEU  19 -10.071 -17.502   8.435
  152   HD13  LEU  19          HD13      LEU  19 -10.385 -15.794   8.798
  153   HD21  LEU  19          HD21      LEU  19  -7.911 -16.598  11.409
  154   HD22  LEU  19          HD22      LEU  19  -9.519 -15.940  11.076
  155   HD23  LEU  19          HD23      LEU  19  -9.225 -17.681  10.884
  156    H    GLY  20           H        GLY  20  -6.524 -16.729   4.999
  157    HA2  GLY  20           HA2      GLY  20  -7.551 -17.577   3.050
  158    HA3  GLY  20           HA3      GLY  20  -8.661 -18.559   4.031
  159    H    TYR  21           H        TYR  21  -8.441 -15.356   5.116
  160    HA   TYR  21           HA       TYR  21 -10.483 -14.064   3.522
  161    HB2  TYR  21           HB2      TYR  21 -11.969 -15.540   4.686
  162    HB3  TYR  21           HB3      TYR  21 -11.130 -15.310   6.209
  163    HD1  TYR  21           HD2      TYR  21 -13.128 -13.402   3.662
  164    HD2  TYR  21           HD1      TYR  21 -11.951 -13.799   7.793
  165    HE1  TYR  21           HE2      TYR  21 -14.762 -11.641   4.296
  166    HE2  TYR  21           HE1      TYR  21 -13.585 -12.040   8.431
  167    HH   TYR  21           HH       TYR  21 -15.697 -10.450   6.008
  168    H    GLU  22           H        GLU  22 -10.539 -11.874   3.925
  169    HA   GLU  22           HA       GLU  22  -8.285 -10.721   5.228
  170    HB2  GLU  22           HB2      GLU  22 -10.745  -9.336   4.089
  171    HB3  GLU  22           HB3      GLU  22  -9.208  -8.596   4.523
  172    HG2  GLU  22           HG2      GLU  22  -8.832  -8.799   2.318
  173    HG3  GLU  22           HG3      GLU  22  -8.222 -10.379   2.790
  174    H    HIS  23           H        HIS  23  -8.005 -10.191   7.281
  175    HA   HIS  23           HA       HIS  23 -10.327  -9.396   9.015
  176    HB2  HIS  23           HB2      HIS  23  -7.595 -10.586   9.606
  177    HB3  HIS  23           HB3      HIS  23  -8.444  -9.621  10.808
  178    HD1  HIS  23           HD1      HIS  23  -9.852 -11.059  12.424
  179    HD2  HIS  23           HD2      HIS  23  -9.531 -12.644   8.535
  180    HE1  HIS  23           HE1      HIS  23 -11.228 -13.183  12.403
  181    H    TRP  24           H        TRP  24 -10.388  -7.359   9.858
  182    HA   TRP  24           HA       TRP  24  -8.659  -5.289   8.797
  183    HB2  TRP  24           HB2      TRP  24 -10.769  -5.322  10.990
  184    HB3  TRP  24           HB3      TRP  24  -9.933  -3.894  10.454
  185    HD1  TRP  24           HD1      TRP  24 -12.987  -5.600  10.054
  186    HE1  TRP  24           HE1      TRP  24 -14.332  -4.854   7.978
  187    HE3  TRP  24           HE3      TRP  24  -9.298  -3.115   7.536
  188    HZ2  TRP  24           HZ2      TRP  24 -13.934  -3.115   5.728
  189    HZ3  TRP  24           HZ3      TRP  24  -9.846  -1.790   5.519
  190    HH2  TRP  24           HH2      TRP  24 -12.150  -1.784   4.594
  191    H    ALA  25           H        ALA  25  -7.021  -4.151   9.813
  192    HA   ALA  25           HA       ALA  25  -6.651  -4.440  12.710
  193    HB1  ALA  25           HB1      ALA  25  -5.233  -6.253  11.684
  194    HB2  ALA  25           HB2      ALA  25  -4.366  -5.013  10.757
  195    HB3  ALA  25           HB3      ALA  25  -4.264  -5.033  12.532
  196    H    LEU  26           H        LEU  26  -5.701  -2.756  13.739
  197    HA   LEU  26           HA       LEU  26  -5.319  -0.233  12.172
  198    HB2  LEU  26           HB2      LEU  26  -7.112  -0.680  14.074
  199    HB3  LEU  26           HB3      LEU  26  -5.767  -0.528  15.168
  200    HG   LEU  26           HG       LEU  26  -6.912   1.507  15.147
  201   HD11  LEU  26          HD11      LEU  26  -4.530   2.106  13.365
  202   HD12  LEU  26          HD12      LEU  26  -5.312   3.163  14.556
  203   HD13  LEU  26          HD13      LEU  26  -4.422   1.736  15.107
  204   HD21  LEU  26          HD21      LEU  26  -7.412   2.838  13.120
  205   HD22  LEU  26          HD22      LEU  26  -6.678   1.594  12.100
  206   HD23  LEU  26          HD23      LEU  26  -8.148   1.232  13.008
  207    H    TYR  27           H        TYR  27  -3.228   0.450  11.949
  208    HA   TYR  27           HA       TYR  27  -1.036  -0.770  13.459
  209    HB2  TYR  27           HB2      TYR  27  -1.090  -0.046  10.999
  210    HB3  TYR  27           HB3      TYR  27  -0.960   1.595  11.561
  211    HD1  TYR  27           HD1      TYR  27   0.759  -1.726  12.191
  212    HD2  TYR  27           HD2      TYR  27   1.203   2.461  11.335
  213    HE1  TYR  27           HE1      TYR  27   3.202  -2.034  11.939
  214    HE2  TYR  27           HE2      TYR  27   3.639   2.169  11.062
  215    HH   TYR  27           HH       TYR  27   5.370   0.665  10.976
  216    H    ILE  28           H        ILE  28  -0.791  -0.214  15.561
  217    HA   ILE  28           HA       ILE  28  -1.425   2.582  16.440
  218    HB   ILE  28           HB       ILE  28  -1.326   1.653  18.730
  219   HG12  ILE  28          HG12      ILE  28  -1.373  -1.138  17.547
  220   HG13  ILE  28          HG13      ILE  28   0.145  -0.379  18.028
  221   HG21  ILE  28          HG21      ILE  28  -3.321   0.220  16.927
  222   HG22  ILE  28          HG22      ILE  28  -3.517   0.666  18.641
  223   HG23  ILE  28          HG23      ILE  28  -3.433   1.924  17.412
  224   HD11  ILE  28          HD11      ILE  28  -2.206  -0.784  19.908
  225   HD12  ILE  28          HD12      ILE  28  -0.752  -1.798  19.804
  226   HD13  ILE  28          HD13      ILE  28  -0.614  -0.106  20.316
  227    H    GLY  29           H        GLY  29   1.392   0.623  15.923
  228    HA2  GLY  29           HA2      GLY  29   3.118   2.846  16.760
  229    HA3  GLY  29           HA3      GLY  29   3.336   1.344  17.661
  230    H    ASP  30           H        ASP  30   5.486   2.121  16.279
  231    HA   ASP  30           HA       ASP  30   5.537   1.227  13.568
  232    HB2  ASP  30           HB2      ASP  30   7.118   2.869  14.431
  233    HB3  ASP  30           HB3      ASP  30   7.819   1.669  15.521
  234    H    GLY  31           H        GLY  31   4.786  -0.780  13.315
  235    HA2  GLY  31           HA2      GLY  31   5.121  -3.058  12.911
  236    HA3  GLY  31           HA3      GLY  31   6.324  -3.138  14.223
  237    H    TYR  32           H        TYR  32   3.545  -1.525  15.334
  238    HA   TYR  32           HA       TYR  32   2.514  -4.072  16.560
  239    HB2  TYR  32           HB2      TYR  32   2.688  -1.267  17.685
  240    HB3  TYR  32           HB3      TYR  32   1.742  -2.554  18.419
  241    HD1  TYR  32           HD1      TYR  32   2.872  -4.676  19.200
  242    HD2  TYR  32           HD2      TYR  32   5.085  -1.167  18.015
  243    HE1  TYR  32           HE1      TYR  32   4.872  -5.530  20.415
  244    HE2  TYR  32           HE2      TYR  32   7.074  -1.998  19.242
  245    HH   TYR  32           HH       TYR  32   7.946  -3.687  20.541
  246    H    VAL  33           H        VAL  33   0.415  -4.594  16.396
  247    HA   VAL  33           HA       VAL  33  -1.468  -2.631  15.165
  248    HB   VAL  33           HB       VAL  33  -2.496  -4.560  13.921
  249   HG11  VAL  33          HG11      VAL  33   0.334  -3.830  13.112
  250   HG12  VAL  33          HG12      VAL  33  -0.914  -4.520  12.056
  251   HG13  VAL  33          HG13      VAL  33  -1.157  -2.913  12.749
  252   HG21  VAL  33          HG21      VAL  33   0.131  -6.002  14.452
  253   HG22  VAL  33          HG22      VAL  33  -1.439  -6.456  15.154
  254   HG23  VAL  33          HG23      VAL  33  -1.190  -6.530  13.402
  255    H    ILE  34           H        ILE  34  -3.617  -2.866  15.571
  256    HA   ILE  34           HA       ILE  34  -4.490  -4.701  17.805
  257    HB   ILE  34           HB       ILE  34  -5.570  -2.032  16.808
  258   HG12  ILE  34          HG12      ILE  34  -3.556  -1.943  18.309
  259   HG13  ILE  34          HG13      ILE  34  -4.977  -1.089  18.887
  260   HG21  ILE  34          HG21      ILE  34  -6.800  -3.946  18.831
  261   HG22  ILE  34          HG22      ILE  34  -7.259  -2.234  18.679
  262   HG23  ILE  34          HG23      ILE  34  -7.516  -3.332  17.324
  263   HD11  ILE  34          HD11      ILE  34  -4.087  -3.824  19.866
  264   HD12  ILE  34          HD12      ILE  34  -3.829  -2.286  20.706
  265   HD13  ILE  34          HD13      ILE  34  -5.476  -2.893  20.465
  266    H    HIS  35           H        HIS  35  -5.907  -6.329  17.157
  267    HA   HIS  35           HA       HIS  35  -7.425  -5.961  14.627
  268    HB2  HIS  35           HB2      HIS  35  -6.556  -7.937  13.603
  269    HB3  HIS  35           HB3      HIS  35  -5.186  -6.932  14.048
  270    HD1  HIS  35           HD1      HIS  35  -6.423 -10.416  14.438
  271    HD2  HIS  35           HD2      HIS  35  -3.858  -7.748  16.439
  272    HE1  HIS  35           HE1      HIS  35  -4.958 -11.833  15.960
  273    H    LEU  36           H        LEU  36  -9.079  -7.588  14.277
  274    HA   LEU  36           HA       LEU  36 -10.212  -8.605  16.821
  275    HB2  LEU  36           HB2      LEU  36 -11.565  -7.208  15.231
  276    HB3  LEU  36           HB3      LEU  36 -11.411  -8.480  14.018
  277    HG   LEU  36           HG       LEU  36 -12.556 -10.046  15.707
  278   HD11  LEU  36          HD11      LEU  36 -12.202  -8.722  17.775
  279   HD12  LEU  36          HD12      LEU  36 -13.156  -7.386  17.090
  280   HD13  LEU  36          HD13      LEU  36 -13.929  -8.929  17.469
  281   HD21  LEU  36          HD21      LEU  36 -14.804  -9.177  15.205
  282   HD22  LEU  36          HD22      LEU  36 -14.106  -7.614  14.725
  283   HD23  LEU  36          HD23      LEU  36 -13.747  -9.082  13.787
  284    H    ALA  37           H        ALA  37  -9.670 -10.561  17.420
  285    HA   ALA  37           HA       ALA  37  -8.851 -12.724  15.629
  286    HB1  ALA  37           HB1      ALA  37  -7.893 -12.331  17.902
  287    HB2  ALA  37           HB2      ALA  37  -9.472 -12.638  18.624
  288    HB3  ALA  37           HB3      ALA  37  -8.626 -13.947  17.765
  289    HA   PRO  38           HA       PRO  38 -12.912 -13.870  14.582
  290    HB2  PRO  38           HB2      PRO  38 -12.747 -16.550  13.919
  291    HB3  PRO  38           HB3      PRO  38 -12.015 -15.228  12.967
  292    HG2  PRO  38           HG2      PRO  38 -10.689 -16.953  15.092
  293    HG3  PRO  38           HG3      PRO  38 -10.095 -16.589  13.439
  294    HD2  PRO  38           HD2      PRO  38  -9.204 -15.192  15.572
  295    HD3  PRO  38           HD3      PRO  38  -9.546 -14.360  14.027
  296    HA   PRO  39           HA       PRO  39 -15.149 -15.834  17.970
  297    HB2  PRO  39           HB2      PRO  39 -17.675 -15.869  17.006
  298    HB3  PRO  39           HB3      PRO  39 -16.824 -14.328  17.281
  299    HG2  PRO  39           HG2      PRO  39 -17.130 -15.820  14.660
  300    HG3  PRO  39           HG3      PRO  39 -17.398 -14.078  14.994
  301    HD2  PRO  39           HD2      PRO  39 -15.039 -15.094  13.965
  302    HD3  PRO  39           HD3      PRO  39 -15.113 -13.622  14.979
  303    H    SER  40           H        SER  40 -14.502 -17.520  15.100
  304    HA   SER  40           HA       SER  40 -14.414 -19.718  14.523
  305    HB2  SER  40           HB2      SER  40 -15.879 -20.460  17.079
  306    HB3  SER  40           HB3      SER  40 -15.017 -21.529  15.977
  307    HG   SER  40           HG       SER  40 -13.833 -19.361  17.377
  308    H    GLU  41           H        GLU  41 -17.550 -18.668  15.840
  309    HA   GLU  41           HA       GLU  41 -18.907 -19.296  13.311
  310    HB2  GLU  41           HB2      GLU  41 -19.640 -20.600  15.962
  311    HB3  GLU  41           HB3      GLU  41 -20.831 -20.352  14.707
  312    HG2  GLU  41           HG2      GLU  41 -18.339 -22.059  14.427
  313    HG3  GLU  41           HG3      GLU  41 -19.983 -22.612  14.689
  314    H    TYR  42           H        TYR  42 -21.009 -18.306  13.175
  315    HA   TYR  42           HA       TYR  42 -21.270 -15.775  14.541
  316    HB2  TYR  42           HB2      TYR  42 -22.943 -15.323  13.045
  317    HB3  TYR  42           HB3      TYR  42 -21.993 -16.465  12.138
  318    HD1  TYR  42           HD2      TYR  42 -22.826 -19.080  12.516
  319    HD2  TYR  42           HD1      TYR  42 -25.245 -15.529  12.952
  320    HE1  TYR  42           HE2      TYR  42 -24.867 -20.416  12.070
  321    HE2  TYR  42           HE1      TYR  42 -27.289 -16.871  12.511
  322    HH   TYR  42           HH       TYR  42 -27.180 -20.376  11.797
  323    HA   PRO  43           HA       PRO  43 -23.689 -16.450  18.119
  324    HB2  PRO  43           HB2      PRO  43 -26.003 -14.954  16.853
  325    HB3  PRO  43           HB3      PRO  43 -25.338 -14.803  18.515
  326    HG2  PRO  43           HG2      PRO  43 -24.605 -13.010  16.639
  327    HG3  PRO  43           HG3      PRO  43 -23.356 -13.738  17.702
  328    HD2  PRO  43           HD2      PRO  43 -24.073 -14.472  14.858
  329    HD3  PRO  43           HD3      PRO  43 -22.459 -14.289  15.614
  330    H    GLY  44           H        GLY  44 -25.521 -17.309  15.162
  331    HA2  GLY  44           HA2      GLY  44 -27.396 -19.044  16.569
  332    HA3  GLY  44           HA3      GLY  44 -27.224 -18.845  14.811
  333    H    ALA  45           H        ALA  45 -24.426 -19.643  16.705
  334    HA   ALA  45           HA       ALA  45 -23.735 -22.011  15.363
  335    HB1  ALA  45           HB1      ALA  45 -22.119 -22.324  17.191
  336    HB2  ALA  45           HB2      ALA  45 -22.167 -20.628  16.669
  337    HB3  ALA  45           HB3      ALA  45 -22.975 -21.118  18.176
  338    H    GLY  46           H        GLY  46 -26.037 -21.687  17.955
  339    HA2  GLY  46           HA2      GLY  46 -26.484 -24.663  17.973
  340    HA3  GLY  46           HA3      GLY  46 -26.773 -23.629  19.388
  341    H    SER  47           H        SER  47 -28.014 -24.713  16.357
  342    HA   SER  47           HA       SER  47 -30.676 -23.526  16.750
  343    HB2  SER  47           HB2      SER  47 -30.595 -22.202  14.679
  344    HB3  SER  47           HB3      SER  47 -29.364 -21.629  15.798
  345    HG   SER  47           HG       SER  47 -27.830 -22.291  14.527
  346    H    SER  48           H        SER  48 -32.029 -23.945  14.578
  347    HA   SER  48           HA       SER  48 -31.806 -26.702  13.757
  348    HB2  SER  48           HB2      SER  48 -33.266 -24.399  12.407
  349    HB3  SER  48           HB3      SER  48 -33.548 -26.127  12.148
  350    HG   SER  48           HG       SER  48 -35.065 -25.228  13.607
  351    H    SER  49           H        SER  49 -30.173 -23.818  12.631
  352    HA   SER  49           HA       SER  49 -29.571 -24.899   9.961
  353    HB2  SER  49           HB2      SER  49 -28.385 -22.899   9.556
  354    HB3  SER  49           HB3      SER  49 -29.865 -22.458  10.401
  355    HG   SER  49           HG       SER  49 -28.564 -22.265  12.348
  356    H    VAL  50           H        VAL  50 -27.831 -24.683  13.058
  357    HA   VAL  50           HA       VAL  50 -25.865 -26.689  12.262
  358    HB   VAL  50           HB       VAL  50 -23.888 -25.356  12.880
  359   HG11  VAL  50          HG11      VAL  50 -23.478 -24.206  10.834
  360   HG12  VAL  50          HG12      VAL  50 -24.416 -25.656  10.474
  361   HG13  VAL  50          HG13      VAL  50 -25.205 -24.054  10.480
  362   HG21  VAL  50          HG21      VAL  50 -23.909 -22.901  12.905
  363   HG22  VAL  50          HG22      VAL  50 -25.675 -22.892  12.720
  364   HG23  VAL  50          HG23      VAL  50 -24.937 -23.566  14.184
  365    H    PHE  51           H        PHE  51 -24.644 -27.468  14.029
  366    HA   PHE  51           HA       PHE  51 -24.879 -26.356  16.665
  367    HB2  PHE  51           HB2      PHE  51 -26.041 -28.237  17.759
  368    HB3  PHE  51           HB3      PHE  51 -27.083 -27.375  16.655
  369    HD1  PHE  51           HD1      PHE  51 -27.879 -28.421  14.556
  370    HD2  PHE  51           HD2      PHE  51 -25.326 -30.563  17.298
  371    HE1  PHE  51           HE1      PHE  51 -28.416 -30.548  13.399
  372    HE2  PHE  51           HE2      PHE  51 -25.861 -32.688  16.131
  373    HZ   PHE  51           HZ       PHE  51 -27.406 -32.686  14.180
  374    H    SER  52           H        SER  52 -23.951 -29.142  14.687
  375    HA   SER  52           HA       SER  52 -21.888 -30.158  16.428
  376    HB2  SER  52           HB2      SER  52 -21.343 -31.483  14.330
  377    HB3  SER  52           HB3      SER  52 -22.987 -31.640  14.957
  378    HG   SER  52           HG       SER  52 -22.905 -31.334  12.662
  379    H    VAL  53           H        VAL  53 -21.424 -27.467  16.334
  380    HA   VAL  53           HA       VAL  53 -18.892 -27.093  14.801
  381    HB   VAL  53           HB       VAL  53 -19.598 -24.839  14.115
  382   HG11  VAL  53          HG11      VAL  53 -20.985 -25.464  12.219
  383   HG12  VAL  53          HG12      VAL  53 -19.777 -26.726  12.522
  384   HG13  VAL  53          HG13      VAL  53 -21.473 -26.967  13.018
  385   HG21  VAL  53          HG21      VAL  53 -22.421 -25.633  14.970
  386   HG22  VAL  53          HG22      VAL  53 -21.412 -24.398  15.753
  387   HG23  VAL  53          HG23      VAL  53 -21.960 -24.161  14.095
  388    H    LEU  54           H        LEU  54 -17.522 -25.423  15.621
  389    HA   LEU  54           HA       LEU  54 -17.578 -25.249  18.515
  390    HB2  LEU  54           HB2      LEU  54 -15.509 -25.624  17.260
  391    HB3  LEU  54           HB3      LEU  54 -15.710 -24.097  16.402
  392    HG   LEU  54           HG       LEU  54 -15.399 -22.840  18.515
  393   HD11  LEU  54          HD11      LEU  54 -16.238 -24.441  20.180
  394   HD12  LEU  54          HD12      LEU  54 -14.935 -25.584  19.773
  395   HD13  LEU  54          HD13      LEU  54 -14.559 -24.027  20.538
  396   HD21  LEU  54          HD21      LEU  54 -13.200 -24.884  17.972
  397   HD22  LEU  54          HD22      LEU  54 -13.471 -23.380  17.061
  398   HD23  LEU  54          HD23      LEU  54 -13.001 -23.305  18.768
  399    H    SER  55           H        SER  55 -18.919 -23.872  19.520
  400    HA   SER  55           HA       SER  55 -19.399 -21.117  18.499
  401    HB2  SER  55           HB2      SER  55 -21.250 -22.493  19.491
  402    HB3  SER  55           HB3      SER  55 -20.393 -22.453  21.043
  403    HG   SER  55           HG       SER  55 -21.959 -20.787  20.877
  404    H    ASN  56           H        ASN  56 -18.511 -19.305  19.364
  405    HA   ASN  56           HA       ASN  56 -17.288 -19.140  21.937
  406    HB2  ASN  56           HB2      ASN  56 -15.529 -20.325  20.243
  407    HB3  ASN  56           HB3      ASN  56 -15.200 -18.655  19.822
  408   HD21  ASN  56          HD22      ASN  56 -14.912 -21.141  22.281
  409   HD22  ASN  56          HD21      ASN  56 -13.975 -20.183  23.412
  410    H    SER  57           H        SER  57 -15.719 -16.849  21.635
  411    HA   SER  57           HA       SER  57 -17.486 -14.862  20.223
  412    HB2  SER  57           HB2      SER  57 -15.889 -14.332  22.760
  413    HB3  SER  57           HB3      SER  57 -16.971 -13.224  21.897
  414    HG   SER  57           HG       SER  57 -17.898 -14.262  23.801
  415    H    ALA  58           H        ALA  58 -16.347 -13.012  19.371
  416    HA   ALA  58           HA       ALA  58 -13.590 -13.492  18.472
  417    HB1  ALA  58           HB1      ALA  58 -15.245 -12.479  16.947
  418    HB2  ALA  58           HB2      ALA  58 -15.567 -11.183  18.103
  419    HB3  ALA  58           HB3      ALA  58 -13.986 -11.294  17.322
  420    H    GLU  59           H        GLU  59 -11.915 -11.838  18.896
  421    HA   GLU  59           HA       GLU  59 -12.209 -10.398  21.493
  422    HB2  GLU  59           HB2      GLU  59 -11.143 -12.606  21.962
  423    HB3  GLU  59           HB3      GLU  59  -9.850 -12.208  20.812
  424    HG2  GLU  59           HG2      GLU  59  -9.164 -10.298  22.187
  425    HG3  GLU  59           HG3      GLU  59 -10.512 -10.574  23.291
  426    H    VAL  60           H        VAL  60 -11.405  -8.366  21.386
  427    HA   VAL  60           HA       VAL  60  -9.807  -7.522  19.016
  428    HB   VAL  60           HB       VAL  60 -10.937  -5.956  21.363
  429   HG11  VAL  60          HG11      VAL  60 -10.211  -3.957  19.894
  430   HG12  VAL  60          HG12      VAL  60  -8.922  -4.810  20.742
  431   HG13  VAL  60          HG13      VAL  60  -9.199  -5.105  19.009
  432   HG21  VAL  60          HG21      VAL  60 -12.392  -4.949  19.628
  433   HG22  VAL  60          HG22      VAL  60 -11.688  -6.040  18.414
  434   HG23  VAL  60          HG23      VAL  60 -12.649  -6.688  19.763
  435    H    LYS  61           H        LYS  61  -7.629  -7.634  19.114
  436    HA   LYS  61           HA       LYS  61  -6.279  -7.525  21.769
  437    HB2  LYS  61           HB2      LYS  61  -5.399  -9.665  21.645
  438    HB3  LYS  61           HB3      LYS  61  -7.092  -9.855  21.181
  439    HG2  LYS  61           HG2      LYS  61  -6.335  -9.858  18.759
  440    HG3  LYS  61           HG3      LYS  61  -4.676 -10.030  19.368
  441    HD2  LYS  61           HD2      LYS  61  -7.043 -11.859  20.023
  442    HD3  LYS  61           HD3      LYS  61  -5.756 -12.227  18.850
  443    HE2  LYS  61           HE2      LYS  61  -4.117 -12.541  20.505
  444    HE3  LYS  61           HE3      LYS  61  -5.008 -11.632  21.727
  445    HZ1  LYS  61           HZ1      LYS  61  -6.619 -13.372  21.894
  446    HZ2  LYS  61           HZ2      LYS  61  -5.898 -14.268  20.705
  447    HZ3  LYS  61           HZ3      LYS  61  -5.131 -14.014  22.128
  448    H    ARG  62           H        ARG  62  -4.034  -7.359  21.820
  449    HA   ARG  62           HA       ARG  62  -2.931  -5.657  19.653
  450    HB2  ARG  62           HB2      ARG  62  -3.032  -4.849  22.029
  451    HB3  ARG  62           HB3      ARG  62  -1.941  -6.157  22.500
  452    HG2  ARG  62           HG2      ARG  62  -0.177  -5.222  21.018
  453    HG3  ARG  62           HG3      ARG  62  -1.295  -3.952  20.486
  454    HD2  ARG  62           HD2      ARG  62  -1.446  -3.119  22.822
  455    HD3  ARG  62           HD3      ARG  62  -0.332  -4.374  23.358
  456    HE   ARG  62           HE       ARG  62   0.292  -1.883  21.993
  457   HH11  ARG  62          HH11      ARG  62   1.626  -5.095  22.675
  458   HH12  ARG  62          HH12      ARG  62   3.258  -4.569  22.413
  459   HH21  ARG  62          HH21      ARG  62   2.414  -1.278  21.661
  460   HH22  ARG  62          HH22      ARG  62   3.693  -2.440  21.815
  461    H    GLU  63           H        GLU  63  -1.126  -6.203  18.482
  462    HA   GLU  63           HA       GLU  63   0.532  -8.518  19.134
  463    HB2  GLU  63           HB2      GLU  63  -1.668  -9.460  18.276
  464    HB3  GLU  63           HB3      GLU  63  -1.367  -8.642  16.756
  465    HG2  GLU  63           HG2      GLU  63  -0.861 -11.075  16.771
  466    HG3  GLU  63           HG3      GLU  63   0.500 -10.078  16.277
  467    H    ARG  64           H        ARG  64   2.151  -8.975  17.445
  468    HA   ARG  64           HA       ARG  64   3.265  -6.545  16.247
  469    HB2  ARG  64           HB2      ARG  64   4.069  -9.458  16.490
  470    HB3  ARG  64           HB3      ARG  64   4.916  -8.433  15.368
  471    HG2  ARG  64           HG2      ARG  64   4.662  -7.936  18.356
  472    HG3  ARG  64           HG3      ARG  64   6.073  -8.596  17.533
  473    HD2  ARG  64           HD2      ARG  64   4.981  -5.766  17.270
  474    HD3  ARG  64           HD3      ARG  64   6.458  -6.285  18.081
  475    HE   ARG  64           HE       ARG  64   6.349  -6.982  15.218
  476   HH11  ARG  64          HH11      ARG  64   7.092  -4.252  17.349
  477   HH12  ARG  64          HH12      ARG  64   8.197  -3.563  16.196
  478   HH21  ARG  64          HH21      ARG  64   7.822  -6.193  13.900
  479   HH22  ARG  64          HH22      ARG  64   8.632  -4.669  14.223
  480    H    LEU  65           H        LEU  65   3.407  -6.006  14.124
  481    HA   LEU  65           HA       LEU  65   1.364  -6.685  12.306
  482    HB2  LEU  65           HB2      LEU  65   2.725  -4.616  12.197
  483    HB3  LEU  65           HB3      LEU  65   4.160  -5.569  11.819
  484    HG   LEU  65           HG       LEU  65   3.036  -6.322   9.676
  485   HD11  LEU  65          HD11      LEU  65   1.121  -4.986   8.841
  486   HD12  LEU  65          HD12      LEU  65   0.668  -5.907  10.282
  487   HD13  LEU  65          HD13      LEU  65   1.002  -4.163  10.408
  488   HD21  LEU  65          HD21      LEU  65   3.450  -4.222   8.490
  489   HD22  LEU  65          HD22      LEU  65   3.414  -3.321  10.027
  490   HD23  LEU  65          HD23      LEU  65   4.695  -4.509   9.714
  491    H    GLU  66           H        GLU  66   4.780  -7.860  12.264
  492    HA   GLU  66           HA       GLU  66   4.380  -9.612  10.043
  493    HB2  GLU  66           HB2      GLU  66   6.504 -10.633  10.669
  494    HB3  GLU  66           HB3      GLU  66   6.583  -8.885  10.549
  495    HG2  GLU  66           HG2      GLU  66   6.204 -10.170  13.267
  496    HG3  GLU  66           HG3      GLU  66   7.781 -10.175  12.502
  497    H    ASP  67           H        ASP  67   3.509 -10.110  13.417
  498    HA   ASP  67           HA       ASP  67   3.280 -13.038  13.132
  499    HB2  ASP  67           HB2      ASP  67   3.883 -11.973  15.295
  500    HB3  ASP  67           HB3      ASP  67   2.312 -11.176  15.331
  501    H    VAL  68           H        VAL  68   1.089 -10.178  13.209
  502    HA   VAL  68           HA       VAL  68  -1.261 -11.726  12.621
  503    HB   VAL  68           HB       VAL  68  -0.903  -8.795  11.996
  504   HG11  VAL  68          HG11      VAL  68  -2.880  -9.803  10.867
  505   HG12  VAL  68          HG12      VAL  68  -3.399 -10.528  12.398
  506   HG13  VAL  68          HG13      VAL  68  -3.393  -8.762  12.193
  507   HG21  VAL  68          HG21      VAL  68  -0.512  -9.114  14.358
  508   HG22  VAL  68          HG22      VAL  68  -2.177  -8.544  14.187
  509   HG23  VAL  68          HG23      VAL  68  -1.866 -10.259  14.494
  510    H    VAL  69           H        VAL  69   1.111 -10.163  10.507
  511    HA   VAL  69           HA       VAL  69  -0.309 -10.795   8.086
  512    HB   VAL  69           HB       VAL  69   2.499  -9.859   8.695
  513   HG11  VAL  69          HG11      VAL  69   2.721  -9.285   6.302
  514   HG12  VAL  69          HG12      VAL  69   2.669 -11.027   6.552
  515   HG13  VAL  69          HG13      VAL  69   1.216 -10.181   5.966
  516   HG21  VAL  69          HG21      VAL  69   0.498  -8.366   9.156
  517   HG22  VAL  69          HG22      VAL  69   1.606  -7.707   7.935
  518   HG23  VAL  69          HG23      VAL  69   0.074  -8.473   7.450
  519    H    GLY  70           H        GLY  70   2.512 -12.448   9.681
  520    HA2  GLY  70           HA2      GLY  70   3.222 -14.618   9.519
  521    HA3  GLY  70           HA3      GLY  70   1.585 -15.006   8.951
  522    H    GLY  71           H        GLY  71   3.562 -12.848   7.027
  523    HA2  GLY  71           HA2      GLY  71   4.635 -13.110   4.981
  524    HA3  GLY  71           HA3      GLY  71   4.466 -14.880   5.114
  525    H    CYS  72           H        CYS  72   1.405 -13.629   5.582
  526    HA   CYS  72           HA       CYS  72   0.541 -14.300   2.836
  527    HB2  CYS  72           HB2      CYS  72  -1.000 -13.584   5.381
  528    HB3  CYS  72           HB3      CYS  72  -1.741 -14.072   3.858
  529    HG   CYS  72           HG       CYS  72   0.515 -15.801   5.581
  530    H    CYS  73           H        CYS  73  -1.244 -12.861   1.890
  531    HA   CYS  73           HA       CYS  73  -0.091 -10.303   1.318
  532    HB2  CYS  73           HB2      CYS  73  -2.816 -11.483   0.593
  533    HB3  CYS  73           HB3      CYS  73  -2.109 -10.022  -0.123
  534    HG   CYS  73           HG       CYS  73  -1.860 -12.051  -1.809
  535    H    TYR  74           H        TYR  74  -0.785  -8.226   1.676
  536    HA   TYR  74           HA       TYR  74  -3.151  -7.589   3.207
  537    HB2  TYR  74           HB2      TYR  74  -2.182  -6.589   5.117
  538    HB3  TYR  74           HB3      TYR  74  -1.571  -8.229   5.034
  539    HD1  TYR  74           HD2      TYR  74   0.807  -8.637   4.271
  540    HD2  TYR  74           HD1      TYR  74  -0.715  -4.683   5.071
  541    HE1  TYR  74           HE2      TYR  74   3.133  -7.779   4.480
  542    HE2  TYR  74           HE1      TYR  74   1.605  -3.817   5.234
  543    HH   TYR  74           HH       TYR  74   3.825  -4.304   4.941
  544    H    ARG  75           H        ARG  75  -3.443  -5.239   3.540
  545    HA   ARG  75           HA       ARG  75  -1.812  -3.337   2.163
  546    HB2  ARG  75           HB2      ARG  75  -3.048  -2.718   0.282
  547    HB3  ARG  75           HB3      ARG  75  -2.874  -4.454   0.173
  548    HG2  ARG  75           HG2      ARG  75  -5.358  -2.913   1.044
  549    HG3  ARG  75           HG3      ARG  75  -5.119  -3.713  -0.500
  550    HD2  ARG  75           HD2      ARG  75  -5.144  -5.126   2.175
  551    HD3  ARG  75           HD3      ARG  75  -6.570  -4.953   1.137
  552    HE   ARG  75           HE       ARG  75  -4.838  -6.053  -0.605
  553   HH11  ARG  75          HH11      ARG  75  -5.597  -7.211   2.689
  554   HH12  ARG  75          HH12      ARG  75  -5.642  -8.864   2.157
  555   HH21  ARG  75          HH21      ARG  75  -4.829  -8.194  -1.156
  556   HH22  ARG  75          HH22      ARG  75  -5.174  -9.421   0.018
  557    H    VAL  76           H        VAL  76  -2.599  -1.101   2.332
  558    HA   VAL  76           HA       VAL  76  -4.516  -0.739   4.570
  559    HB   VAL  76           HB       VAL  76  -2.646   1.157   3.163
  560   HG11  VAL  76          HG11      VAL  76  -4.683   2.510   3.417
  561   HG12  VAL  76          HG12      VAL  76  -4.850   1.991   5.110
  562   HG13  VAL  76          HG13      VAL  76  -3.485   3.004   4.610
  563   HG21  VAL  76          HG21      VAL  76  -1.816   1.484   5.476
  564   HG22  VAL  76          HG22      VAL  76  -3.072   0.394   6.094
  565   HG23  VAL  76          HG23      VAL  76  -1.790  -0.231   5.033
  566    H    ASN  77           H        ASN  77  -6.486   0.046   4.407
  567    HA   ASN  77           HA       ASN  77  -7.622   1.284   2.041
  568    HB2  ASN  77           HB2      ASN  77  -7.662  -1.109   1.333
  569    HB3  ASN  77           HB3      ASN  77  -8.533  -1.514   2.813
  570   HD21  ASN  77          HD22      ASN  77 -10.389  -2.290   1.695
  571   HD22  ASN  77          HD21      ASN  77 -11.491  -1.168   0.880
  572    H    ASN  78           H        ASN  78  -9.380   2.512   2.634
  573    HA   ASN  78           HA       ASN  78 -10.659   2.106   5.245
  574    HB2  ASN  78           HB2      ASN  78  -8.278   3.237   5.435
  575    HB3  ASN  78           HB3      ASN  78  -9.103   4.685   4.885
  576   HD21  ASN  78          HD22      ASN  78  -7.856   4.533   7.368
  577   HD22  ASN  78          HD21      ASN  78  -9.093   4.569   8.624
  578    H    SER  79           H        SER  79 -12.025   1.941   2.987
  579    HA   SER  79           HA       SER  79 -12.992   4.056   1.608
  580    HB2  SER  79           HB2      SER  79 -14.748   1.784   2.592
  581    HB3  SER  79           HB3      SER  79 -14.960   2.739   1.116
  582    HG   SER  79           HG       SER  79 -13.952   0.769   0.635
  583    H    LEU  80           H        LEU  80 -14.214   3.261   4.865
  584    HA   LEU  80           HA       LEU  80 -16.362   5.206   4.808
  585    HB2  LEU  80           HB2      LEU  80 -16.241   3.157   6.279
  586    HB3  LEU  80           HB3      LEU  80 -14.934   3.943   7.186
  587    HG   LEU  80           HG       LEU  80 -16.566   5.787   7.767
  588   HD11  LEU  80          HD11      LEU  80 -18.213   5.468   5.967
  589   HD12  LEU  80          HD12      LEU  80 -18.539   3.806   6.519
  590   HD13  LEU  80          HD13      LEU  80 -18.989   5.185   7.538
  591   HD21  LEU  80          HD21      LEU  80 -17.759   4.436   9.473
  592   HD22  LEU  80          HD22      LEU  80 -17.249   2.949   8.640
  593   HD23  LEU  80          HD23      LEU  80 -16.036   4.032   9.375
  594    H    ASP  81           H        ASP  81 -12.990   5.304   5.941
  595    HA   ASP  81           HA       ASP  81 -13.081   7.924   7.124
  596    HB2  ASP  81           HB2      ASP  81 -11.390   6.214   7.616
  597    HB3  ASP  81           HB3      ASP  81 -10.778   6.327   5.958
  598    H    HIS  82           H        HIS  82 -12.218   6.660   3.918
  599    HA   HIS  82           HA       HIS  82 -11.579   9.120   2.606
  600    HB2  HIS  82           HB2      HIS  82 -12.867   6.591   1.485
  601    HB3  HIS  82           HB3      HIS  82 -12.096   7.846   0.540
  602    HD1  HIS  82           HD1      HIS  82 -10.878   5.230  -0.081
  603    HD2  HIS  82           HD2      HIS  82  -9.680   7.487   3.264
  604    HE1  HIS  82           HE1      HIS  82  -8.556   4.412   0.541
  605    H    GLU  83           H        GLU  83 -14.681   7.997   3.734
  606    HA   GLU  83           HA       GLU  83 -16.251   9.228   1.657
  607    HB2  GLU  83           HB2      GLU  83 -16.792   7.147   3.096
  608    HB3  GLU  83           HB3      GLU  83 -17.293   8.304   4.328
  609    HG2  GLU  83           HG2      GLU  83 -19.220   7.585   3.126
  610    HG3  GLU  83           HG3      GLU  83 -18.923   9.266   2.674
  611    H    TYR  84           H        TYR  84 -15.176  10.298   4.853
  612    HA   TYR  84           HA       TYR  84 -16.566  12.922   4.371
  613    HB2  TYR  84           HB2      TYR  84 -16.682  12.100   7.189
  614    HB3  TYR  84           HB3      TYR  84 -17.874  12.861   6.183
  615    HD1  TYR  84           HD1      TYR  84 -19.498  11.449   4.875
  616    HD2  TYR  84           HD2      TYR  84 -16.640   9.755   7.621
  617    HE1  TYR  84           HE1      TYR  84 -20.842   9.350   4.984
  618    HE2  TYR  84           HE2      TYR  84 -17.974   7.675   7.746
  619    HH   TYR  84           HH       TYR  84 -19.783   6.531   6.941
  620    H    GLN  85           H        GLN  85 -13.812  11.410   6.051
  621    HA   GLN  85           HA       GLN  85 -13.784  13.774   7.848
  622    HB2  GLN  85           HB2      GLN  85 -13.223  12.040   9.577
  623    HB3  GLN  85           HB3      GLN  85 -14.815  11.891   8.818
  624    HG2  GLN  85           HG2      GLN  85 -14.048  10.040   7.418
  625    HG3  GLN  85           HG3      GLN  85 -12.401  10.231   8.030
  626   HE21  GLN  85          HE22      GLN  85 -11.919   8.596   9.459
  627   HE22  GLN  85          HE21      GLN  85 -13.086   7.912  10.608
  628    HA   PRO  86           HA       PRO  86  -9.337  14.143   7.509
  629    HB2  PRO  86           HB2      PRO  86  -8.768  15.752   9.610
  630    HB3  PRO  86           HB3      PRO  86  -9.755  16.324   8.226
  631    HG2  PRO  86           HG2      PRO  86 -10.724  15.285  10.911
  632    HG3  PRO  86           HG3      PRO  86 -11.235  16.774  10.047
  633    HD2  PRO  86           HD2      PRO  86 -12.651  14.429   9.902
  634    HD3  PRO  86           HD3      PRO  86 -12.532  15.567   8.525
  635    H    ARG  87           H        ARG  87 -10.737  12.756  10.421
  636    HA   ARG  87           HA       ARG  87 -10.101  11.287  11.933
  637    HB2  ARG  87           HB2      ARG  87  -9.563  10.035  10.078
  638    HB3  ARG  87           HB3      ARG  87  -7.926  10.673   9.935
  639    HG2  ARG  87           HG2      ARG  87  -7.101   9.426  11.691
  640    HG3  ARG  87           HG3      ARG  87  -8.654   9.395  12.536
  641    HD2  ARG  87           HD2      ARG  87  -7.929   7.153  11.591
  642    HD3  ARG  87           HD3      ARG  87  -9.544   7.723  11.168
  643    HE   ARG  87           HE       ARG  87  -8.929   8.066   8.967
  644   HH11  ARG  87          HH11      ARG  87  -5.951   7.007  10.620
  645   HH12  ARG  87          HH12      ARG  87  -5.055   7.066   9.123
  646   HH21  ARG  87          HH21      ARG  87  -7.772   7.879   7.140
  647   HH22  ARG  87          HH22      ARG  87  -6.124   7.246   7.192
  648    HA   PRO  88           HA       PRO  88  -6.991  13.433  14.555
  649    HB2  PRO  88           HB2      PRO  88  -8.145  12.934  16.954
  650    HB3  PRO  88           HB3      PRO  88  -8.754  14.186  15.841
  651    HG2  PRO  88           HG2      PRO  88  -9.805  11.356  16.181
  652    HG3  PRO  88           HG3      PRO  88 -10.736  12.886  16.159
  653    HD2  PRO  88           HD2      PRO  88 -10.438  11.293  13.973
  654    HD3  PRO  88           HD3      PRO  88 -10.528  13.080  13.831
  655    H    VAL  89           H        VAL  89  -5.435  11.922  13.886
  656    HA   VAL  89           HA       VAL  89  -5.457   9.183  14.089
  657    HB   VAL  89           HB       VAL  89  -3.213  11.198  14.012
  658   HG11  VAL  89          HG11      VAL  89  -2.769   8.196  14.023
  659   HG12  VAL  89          HG12      VAL  89  -1.600   9.383  13.404
  660   HG13  VAL  89          HG13      VAL  89  -2.051   9.399  15.110
  661   HG21  VAL  89          HG21      VAL  89  -2.994  10.368  11.700
  662   HG22  VAL  89          HG22      VAL  89  -4.254   9.154  11.998
  663   HG23  VAL  89          HG23      VAL  89  -4.648  10.885  12.017
  664    H    GLU  90           H        GLU  90  -4.286  11.344  16.695
  665    HA   GLU  90           HA       GLU  90  -3.245   9.213  18.347
  666    HB2  GLU  90           HB2      GLU  90  -4.288  11.939  19.237
  667    HB3  GLU  90           HB3      GLU  90  -3.224  10.859  20.146
  668    HG2  GLU  90           HG2      GLU  90  -1.519  11.100  18.294
  669    HG3  GLU  90           HG3      GLU  90  -2.574  12.326  17.567
  670    H    VAL  91           H        VAL  91  -6.463  10.668  18.061
  671    HA   VAL  91           HA       VAL  91  -7.542   9.360  20.438
  672    HB   VAL  91           HB       VAL  91  -8.952  10.726  18.130
  673   HG11  VAL  91          HG11      VAL  91 -10.031   9.946  20.872
  674   HG12  VAL  91          HG12      VAL  91 -10.871  10.987  19.700
  675   HG13  VAL  91          HG13      VAL  91 -10.558   9.298  19.299
  676   HG21  VAL  91          HG21      VAL  91  -8.165  11.795  20.874
  677   HG22  VAL  91          HG22      VAL  91  -7.441  12.276  19.325
  678   HG23  VAL  91          HG23      VAL  91  -9.127  12.668  19.661
  679    H    ILE  92           H        ILE  92  -7.424   8.615  16.944
  680    HA   ILE  92           HA       ILE  92  -9.062   6.209  17.095
  681    HB   ILE  92           HB       ILE  92  -6.816   6.879  15.149
  682   HG12  ILE  92          HG12      ILE  92  -8.233   8.637  14.737
  683   HG13  ILE  92          HG13      ILE  92  -8.835   7.418  13.636
  684   HG21  ILE  92          HG21      ILE  92  -7.899   5.307  13.625
  685   HG22  ILE  92          HG22      ILE  92  -7.423   4.490  15.112
  686   HG23  ILE  92          HG23      ILE  92  -9.121   4.921  14.845
  687   HD11  ILE  92          HD11      ILE  92 -10.707   8.560  14.562
  688   HD12  ILE  92          HD12      ILE  92 -10.689   6.923  15.256
  689   HD13  ILE  92          HD13      ILE  92 -10.143   8.313  16.219
  690    H    ILE  93           H        ILE  93  -5.493   6.686  17.315
  691    HA   ILE  93           HA       ILE  93  -4.937   3.920  17.947
  692    HB   ILE  93           HB       ILE  93  -3.440   6.526  18.453
  693   HG12  ILE  93          HG12      ILE  93  -2.969   4.223  16.484
  694   HG13  ILE  93          HG13      ILE  93  -3.791   5.720  16.080
  695   HG21  ILE  93          HG21      ILE  93  -2.459   3.685  18.975
  696   HG22  ILE  93          HG22      ILE  93  -1.434   5.136  18.988
  697   HG23  ILE  93          HG23      ILE  93  -2.696   4.959  20.184
  698   HD11  ILE  93          HD11      ILE  93  -1.762   7.021  16.521
  699   HD12  ILE  93          HD12      ILE  93  -0.869   5.524  16.900
  700   HD13  ILE  93          HD13      ILE  93  -1.492   5.783  15.275
  701    H    SER  94           H        SER  94  -5.791   6.678  20.041
  702    HA   SER  94           HA       SER  94  -5.486   5.273  22.513
  703    HB2  SER  94           HB2      SER  94  -7.399   7.549  21.862
  704    HB3  SER  94           HB3      SER  94  -6.942   6.999  23.480
  705    HG   SER  94           HG       SER  94  -5.285   8.193  21.492
  706    H    SER  95           H        SER  95  -8.350   5.571  20.344
  707    HA   SER  95           HA       SER  95 -10.145   4.030  21.951
  708    HB2  SER  95           HB2      SER  95 -10.728   5.461  19.932
  709    HB3  SER  95           HB3      SER  95 -10.103   4.152  18.911
  710    HG   SER  95           HG       SER  95 -12.254   3.629  19.163
  711    H    ALA  96           H        ALA  96  -7.926   3.061  19.289
  712    HA   ALA  96           HA       ALA  96  -8.515   0.298  19.324
  713    HB1  ALA  96           HB1      ALA  96  -5.823   1.600  18.677
  714    HB2  ALA  96           HB2      ALA  96  -6.531   0.143  17.936
  715    HB3  ALA  96           HB3      ALA  96  -7.221   1.731  17.603
  716    H    LYS  97           H        LYS  97  -6.005   2.063  21.193
  717    HA   LYS  97           HA       LYS  97  -5.065  -0.231  22.662
  718    HB2  LYS  97           HB2      LYS  97  -5.064   2.758  23.220
  719    HB3  LYS  97           HB3      LYS  97  -4.326   1.568  24.310
  720    HG2  LYS  97           HG2      LYS  97  -2.767   0.828  22.601
  721    HG3  LYS  97           HG3      LYS  97  -3.575   1.782  21.360
  722    HD2  LYS  97           HD2      LYS  97  -1.547   2.900  22.014
  723    HD3  LYS  97           HD3      LYS  97  -2.940   3.873  22.514
  724    HE2  LYS  97           HE2      LYS  97  -2.717   3.011  24.838
  725    HE3  LYS  97           HE3      LYS  97  -1.358   1.996  24.342
  726    HZ1  LYS  97           HZ1      LYS  97  -1.386   4.969  24.260
  727    HZ2  LYS  97           HZ2      LYS  97  -0.595   4.057  25.360
  728    HZ3  LYS  97           HZ3      LYS  97  -0.127   4.029  23.796
  729    H    GLU  98           H        GLU  98  -7.668   2.133  23.488
  730    HA   GLU  98           HA       GLU  98  -8.311   0.983  26.005
  731    HB2  GLU  98           HB2      GLU  98  -9.906   2.634  24.035
  732    HB3  GLU  98           HB3      GLU  98 -10.616   2.062  25.541
  733    HG2  GLU  98           HG2      GLU  98  -8.074   3.740  25.458
  734    HG3  GLU  98           HG3      GLU  98  -9.692   4.407  25.629
  735    H    MET  99           H        MET  99  -9.385   0.025  22.762
  736    HA   MET  99           HA       MET  99 -11.344  -1.908  23.719
  737    HB2  MET  99           HB2      MET  99  -9.983  -1.613  21.016
  738    HB3  MET  99           HB3      MET  99 -11.289  -2.746  21.389
  739    HG2  MET  99           HG2      MET  99 -12.793  -0.882  21.961
  740    HG3  MET  99           HG3      MET  99 -11.518   0.266  21.580
  741    HE1  MET  99           HE1      MET  99 -14.460  -1.792  20.248
  742    HE2  MET  99           HE2      MET  99 -13.955  -2.267  18.610
  743    HE3  MET  99           HE3      MET  99 -13.141  -2.953  20.044
  744    H    VAL 100           H        VAL 100  -7.932  -2.130  23.862
  745    HA   VAL 100           HA       VAL 100  -7.496  -4.820  23.086
  746    HB   VAL 100           HB       VAL 100  -6.055  -3.177  25.218
  747   HG11  VAL 100          HG11      VAL 100  -5.270  -5.913  24.105
  748   HG12  VAL 100          HG12      VAL 100  -4.187  -4.846  25.021
  749   HG13  VAL 100          HG13      VAL 100  -5.614  -5.516  25.803
  750   HG21  VAL 100          HG21      VAL 100  -4.313  -2.980  23.496
  751   HG22  VAL 100          HG22      VAL 100  -5.227  -4.063  22.424
  752   HG23  VAL 100          HG23      VAL 100  -5.855  -2.452  22.804
  753    H    GLY 101           H        GLY 101  -8.054  -6.663  23.769
  754    HA2  GLY 101           HA2      GLY 101  -8.399  -8.434  25.239
  755    HA3  GLY 101           HA3      GLY 101  -8.511  -7.305  26.614
  756    H    GLN 102           H        GLN 102 -10.608  -6.094  24.194
  757    HA   GLN 102           HA       GLN 102 -12.833  -7.092  25.784
  758    HB2  GLN 102           HB2      GLN 102 -14.207  -5.588  24.870
  759    HB3  GLN 102           HB3      GLN 102 -12.694  -4.707  24.889
  760    HG2  GLN 102           HG2      GLN 102 -12.580  -4.651  22.514
  761    HG3  GLN 102           HG3      GLN 102 -13.590  -6.075  22.312
  762   HE21  GLN 102          HE22      GLN 102 -15.936  -5.922  22.706
  763   HE22  GLN 102          HE21      GLN 102 -16.681  -4.337  22.535
  764    H    LYS 103           H        LYS 103 -14.292  -8.574  25.310
  765    HA   LYS 103           HA       LYS 103 -14.033 -10.288  22.958
  766    HB2  LYS 103           HB2      LYS 103 -15.695 -10.241  25.495
  767    HB3  LYS 103           HB3      LYS 103 -16.212 -11.227  24.134
  768    HG2  LYS 103           HG2      LYS 103 -14.931 -12.499  25.745
  769    HG3  LYS 103           HG3      LYS 103 -14.202 -12.514  24.135
  770    HD2  LYS 103           HD2      LYS 103 -12.446 -10.997  24.841
  771    HD3  LYS 103           HD3      LYS 103 -13.234 -10.762  26.428
  772    HE2  LYS 103           HE2      LYS 103 -12.957 -13.174  26.917
  773    HE3  LYS 103           HE3      LYS 103 -12.204 -13.422  25.332
  774    HZ1  LYS 103           HZ1      LYS 103 -11.058 -11.612  27.389
  775    HZ2  LYS 103           HZ2      LYS 103 -10.604 -13.173  27.200
  776    HZ3  LYS 103           HZ3      LYS 103 -10.340 -12.115  25.986
  777    H    MET 104           H        MET 104 -15.910 -10.773  21.649
  778    HA   MET 104           HA       MET 104 -17.985  -8.711  21.219
  779    HB2  MET 104           HB2      MET 104 -15.916  -7.805  20.186
  780    HB3  MET 104           HB3      MET 104 -15.759  -9.243  19.198
  781    HG2  MET 104           HG2      MET 104 -17.884  -8.701  18.051
  782    HG3  MET 104           HG3      MET 104 -18.091  -7.284  19.093
  783    HE1  MET 104           HE1      MET 104 -16.661  -5.156  19.027
  784    HE2  MET 104           HE2      MET 104 -15.091  -5.981  19.201
  785    HE3  MET 104           HE3      MET 104 -15.340  -4.825  17.890
  786    H    LYS 105           H        LYS 105 -19.790  -9.611  20.365
  787    HA   LYS 105           HA       LYS 105 -19.622 -11.762  18.405
  788    HB2  LYS 105           HB2      LYS 105 -19.677 -12.720  20.931
  789    HB3  LYS 105           HB3      LYS 105 -21.412 -12.489  20.719
  790    HG2  LYS 105           HG2      LYS 105 -21.053 -13.756  18.434
  791    HG3  LYS 105           HG3      LYS 105 -19.477 -14.187  19.084
  792    HD2  LYS 105           HD2      LYS 105 -22.224 -14.972  20.099
  793    HD3  LYS 105           HD3      LYS 105 -20.921 -16.012  19.486
  794    HE2  LYS 105           HE2      LYS 105 -19.536 -15.457  21.465
  795    HE3  LYS 105           HE3      LYS 105 -20.835 -14.435  22.099
  796    HZ1  LYS 105           HZ1      LYS 105 -22.249 -16.422  22.210
  797    HZ2  LYS 105           HZ2      LYS 105 -21.040 -17.366  21.628
  798    HZ3  LYS 105           HZ3      LYS 105 -20.889 -16.642  23.090
  799    H    TYR 106           H        TYR 106 -20.402  -9.105  18.262
  800    HA   TYR 106           HA       TYR 106 -23.085  -8.406  18.786
  801    HB2  TYR 106           HB2      TYR 106 -21.298  -6.807  18.479
  802    HB3  TYR 106           HB3      TYR 106 -20.956  -7.400  16.862
  803    HD1  TYR 106           HD2      TYR 106 -23.640  -5.708  18.872
  804    HD2  TYR 106           HD1      TYR 106 -21.889  -6.362  14.986
  805    HE1  TYR 106           HE2      TYR 106 -25.128  -3.960  17.912
  806    HE2  TYR 106           HE1      TYR 106 -23.383  -4.621  14.020
  807    HH   TYR 106           HH       TYR 106 -25.751  -2.823  16.015
  808    H    SER 107           H        SER 107 -21.706  -9.957  15.916
  809    HA   SER 107           HA       SER 107 -24.337 -10.484  14.687
  810    HB2  SER 107           HB2      SER 107 -23.768  -8.070  14.237
  811    HB3  SER 107           HB3      SER 107 -22.308  -8.608  13.393
  812    HG   SER 107           HG       SER 107 -24.590  -8.239  12.286
  813    H    ILE 108           H        ILE 108 -23.247 -10.802  12.054
  814    HA   ILE 108           HA       ILE 108 -21.781 -13.352  12.236
  815    HB   ILE 108           HB       ILE 108 -23.609 -12.859  10.582
  816   HG12  ILE 108          HG12      ILE 108 -20.992 -13.605   9.219
  817   HG13  ILE 108          HG13      ILE 108 -21.913 -14.681  10.285
  818   HG21  ILE 108          HG21      ILE 108 -22.915 -10.490  10.043
  819   HG22  ILE 108          HG22      ILE 108 -21.556 -11.147   9.109
  820   HG23  ILE 108          HG23      ILE 108 -23.230 -11.481   8.626
  821   HD11  ILE 108          HD11      ILE 108 -23.872 -14.506   8.750
  822   HD12  ILE 108          HD12      ILE 108 -22.880 -13.531   7.637
  823   HD13  ILE 108          HD13      ILE 108 -22.437 -15.205   7.988
  824    H    VAL 109           H        VAL 109 -19.620 -13.673  11.256
  825    HA   VAL 109           HA       VAL 109 -17.765 -12.025  12.388
  826    HB   VAL 109           HB       VAL 109 -17.346 -14.309  11.608
  827   HG11  VAL 109          HG11      VAL 109 -18.135 -14.112   9.249
  828   HG12  VAL 109          HG12      VAL 109 -16.697 -13.135   8.873
  829   HG13  VAL 109          HG13      VAL 109 -16.520 -14.820   9.393
  830   HG21  VAL 109          HG21      VAL 109 -14.965 -14.055  11.254
  831   HG22  VAL 109          HG22      VAL 109 -15.166 -12.361  10.762
  832   HG23  VAL 109          HG23      VAL 109 -15.523 -12.852  12.432
  833    H    SER 110           H        SER 110 -18.861 -11.630   8.983
  834    HA   SER 110           HA       SER 110 -17.062  -9.566   8.244
  835    HB2  SER 110           HB2      SER 110 -19.960  -9.938   7.371
  836    HB3  SER 110           HB3      SER 110 -18.705  -9.026   6.513
  837    HG   SER 110           HG       SER 110 -18.987 -11.155   5.674
  838    H    ARG 111           H        ARG 111 -20.335  -9.269   9.780
  839    HA   ARG 111           HA       ARG 111 -20.001  -6.375   9.940
  840    HB2  ARG 111           HB2      ARG 111 -22.236  -7.367   9.618
  841    HB3  ARG 111           HB3      ARG 111 -22.114  -8.122  11.199
  842    HG2  ARG 111           HG2      ARG 111 -23.478  -6.074  11.307
  843    HG3  ARG 111           HG3      ARG 111 -22.037  -5.871  12.299
  844    HD2  ARG 111           HD2      ARG 111 -22.755  -3.866  10.927
  845    HD3  ARG 111           HD3      ARG 111 -21.067  -4.330  10.871
  846    HE   ARG 111           HE       ARG 111 -21.212  -4.765   8.611
  847   HH11  ARG 111          HH11      ARG 111 -24.595  -4.589   9.708
  848   HH12  ARG 111          HH12      ARG 111 -25.167  -4.616   8.065
  849   HH21  ARG 111          HH21      ARG 111 -21.929  -4.787   6.714
  850   HH22  ARG 111          HH22      ARG 111 -23.649  -4.748   6.322
  851    H    ASN 112           H        ASN 112 -19.347  -9.092  12.128
  852    HA   ASN 112           HA       ASN 112 -18.899  -7.512  14.464
  853    HB2  ASN 112           HB2      ASN 112 -17.415 -10.003  13.509
  854    HB3  ASN 112           HB3      ASN 112 -17.165  -9.256  15.084
  855   HD21  ASN 112          HD22      ASN 112 -18.418 -11.937  14.105
  856   HD22  ASN 112          HD21      ASN 112 -19.969 -11.957  14.936
  857    H    CYS 113           H        CYS 113 -16.734  -8.298  11.741
  858    HA   CYS 113           HA       CYS 113 -14.462  -6.731  12.412
  859    HB2  CYS 113           HB2      CYS 113 -15.586  -8.235  10.099
  860    HB3  CYS 113           HB3      CYS 113 -14.612  -6.872   9.598
  861    HG   CYS 113           HG       CYS 113 -13.209  -9.143   9.680
  862    H    GLU 114           H        GLU 114 -17.223  -5.763  10.255
  863    HA   GLU 114           HA       GLU 114 -16.309  -3.064   9.973
  864    HB2  GLU 114           HB2      GLU 114 -19.110  -4.217   9.773
  865    HB3  GLU 114           HB3      GLU 114 -18.685  -2.563   9.325
  866    HG2  GLU 114           HG2      GLU 114 -17.073  -3.424   7.644
  867    HG3  GLU 114           HG3      GLU 114 -17.545  -5.083   8.039
  868    H    HIS 115           H        HIS 115 -18.594  -4.446  12.379
  869    HA   HIS 115           HA       HIS 115 -19.257  -2.135  13.841
  870    HB2  HIS 115           HB2      HIS 115 -20.371  -4.257  14.107
  871    HB3  HIS 115           HB3      HIS 115 -18.889  -5.037  14.658
  872    HD1  HIS 115           HD1      HIS 115 -21.351  -2.328  15.980
  873    HD2  HIS 115           HD2      HIS 115 -18.582  -5.255  17.184
  874    HE1  HIS 115           HE1      HIS 115 -21.506  -2.466  18.521
  875    H    PHE 116           H        PHE 116 -16.473  -4.391  14.206
  876    HA   PHE 116           HA       PHE 116 -15.084  -3.058  16.298
  877    HB2  PHE 116           HB2      PHE 116 -14.502  -5.283  15.839
  878    HB3  PHE 116           HB3      PHE 116 -14.389  -5.040  14.133
  879    HD1  PHE 116           HD1      PHE 116 -12.708  -3.813  17.256
  880    HD2  PHE 116           HD2      PHE 116 -12.287  -5.023  13.142
  881    HE1  PHE 116           HE1      PHE 116 -10.253  -3.630  17.456
  882    HE2  PHE 116           HE2      PHE 116  -9.818  -4.868  13.353
  883    HZ   PHE 116           HZ       PHE 116  -8.793  -4.179  15.510
  884    H    VAL 117           H        VAL 117 -14.413  -2.797  12.711
  885    HA   VAL 117           HA       VAL 117 -12.548  -0.674  13.260
  886    HB   VAL 117           HB       VAL 117 -12.576  -0.096  10.842
  887   HG11  VAL 117          HG11      VAL 117 -12.012  -2.961  11.664
  888   HG12  VAL 117          HG12      VAL 117 -11.457  -2.167  10.180
  889   HG13  VAL 117          HG13      VAL 117 -10.902  -1.570  11.744
  890   HG21  VAL 117          HG21      VAL 117 -13.655  -1.388   9.214
  891   HG22  VAL 117          HG22      VAL 117 -14.191  -2.595  10.379
  892   HG23  VAL 117          HG23      VAL 117 -14.935  -0.981  10.378
  893    H    THR 118           H        THR 118 -16.021  -0.402  13.005
  894    HA   THR 118           HA       THR 118 -15.882   2.543  12.657
  895    HB   THR 118           HB       THR 118 -18.235   1.154  13.911
  896    HG1  THR 118           HG1      THR 118 -17.743  -0.021  11.972
  897   HG21  THR 118          HG21      THR 118 -17.952   3.509  11.977
  898   HG22  THR 118          HG22      THR 118 -19.461   2.913  12.680
  899   HG23  THR 118          HG23      THR 118 -18.228   3.638  13.727
  900    H    GLN 119           H        GLN 119 -16.014   0.300  15.470
  901    HA   GLN 119           HA       GLN 119 -15.962   2.463  17.407
  902    HB2  GLN 119           HB2      GLN 119 -15.396  -0.499  17.529
  903    HB3  GLN 119           HB3      GLN 119 -15.110   0.555  18.923
  904    HG2  GLN 119           HG2      GLN 119 -17.383   1.234  19.071
  905    HG3  GLN 119           HG3      GLN 119 -17.777   0.616  17.467
  906   HE21  GLN 119          HE22      GLN 119 -17.603  -1.763  17.141
  907   HE22  GLN 119          HE21      GLN 119 -18.293  -2.722  18.449
  908    H    LEU 120           H        LEU 120 -13.368   0.831  15.586
  909    HA   LEU 120           HA       LEU 120 -11.210   2.172  16.976
  910    HB2  LEU 120           HB2      LEU 120 -11.451   1.087  14.130
  911    HB3  LEU 120           HB3      LEU 120  -9.959   1.704  14.823
  912    HG   LEU 120           HG       LEU 120 -11.481  -0.671  15.999
  913   HD11  LEU 120          HD11      LEU 120 -10.771  -1.652  14.053
  914   HD12  LEU 120          HD12      LEU 120  -9.490  -0.457  13.761
  915   HD13  LEU 120          HD13      LEU 120  -9.239  -1.758  14.924
  916   HD21  LEU 120          HD21      LEU 120  -8.656   0.345  16.453
  917   HD22  LEU 120          HD22      LEU 120 -10.007   0.483  17.609
  918   HD23  LEU 120          HD23      LEU 120  -9.371  -1.108  17.182
  919    H    ARG 121           H        ARG 121 -12.856   2.975  13.888
  920    HA   ARG 121           HA       ARG 121 -11.587   5.586  13.700
  921    HB2  ARG 121           HB2      ARG 121 -13.838   4.393  12.049
  922    HB3  ARG 121           HB3      ARG 121 -12.890   5.828  11.635
  923    HG2  ARG 121           HG2      ARG 121 -10.852   4.547  11.414
  924    HG3  ARG 121           HG3      ARG 121 -11.635   3.065  11.954
  925    HD2  ARG 121           HD2      ARG 121 -12.337   4.571   9.408
  926    HD3  ARG 121           HD3      ARG 121 -11.318   3.123   9.548
  927    HE   ARG 121           HE       ARG 121 -13.940   2.745  10.728
  928   HH11  ARG 121          HH11      ARG 121 -12.226   2.565   7.638
  929   HH12  ARG 121          HH12      ARG 121 -13.335   1.375   6.998
  930   HH21  ARG 121          HH21      ARG 121 -15.487   1.410   9.726
  931   HH22  ARG 121          HH22      ARG 121 -15.180   0.798   8.139
  932    H    TYR 122           H        TYR 122 -13.979   4.741  15.721
  933    HA   TYR 122           HA       TYR 122 -16.209   6.200  15.394
  934    HB2  TYR 122           HB2      TYR 122 -15.440   4.504  17.193
  935    HB3  TYR 122           HB3      TYR 122 -14.898   5.877  18.119
  936    HD1  TYR 122           HD2      TYR 122 -17.812   4.071  16.703
  937    HD2  TYR 122           HD1      TYR 122 -16.542   7.326  19.233
  938    HE1  TYR 122           HE2      TYR 122 -20.112   4.248  17.614
  939    HE2  TYR 122           HE1      TYR 122 -18.848   7.511  20.151
  940    HH   TYR 122           HH       TYR 122 -21.510   5.378  19.052
  941    H    GLY 123           H        GLY 123 -13.117   7.417  16.296
  942    HA2  GLY 123           HA2      GLY 123 -13.491   9.890  17.584
  943    HA3  GLY 123           HA3      GLY 123 -12.192   9.532  16.423
  944    H    LYS 124           H        LYS 124 -14.004   9.102  14.164
  945    HA   LYS 124           HA       LYS 124 -15.497  11.667  13.875
  946    HB2  LYS 124           HB2      LYS 124 -13.308  10.611  12.034
  947    HB3  LYS 124           HB3      LYS 124 -14.583  11.680  11.438
  948    HG2  LYS 124           HG2      LYS 124 -12.719  12.408  13.723
  949    HG3  LYS 124           HG3      LYS 124 -12.456  12.840  12.036
  950    HD2  LYS 124           HD2      LYS 124 -14.576  14.124  12.012
  951    HD3  LYS 124           HD3      LYS 124 -14.842  13.724  13.723
  952    HE2  LYS 124           HE2      LYS 124 -12.692  14.829  14.316
  953    HE3  LYS 124           HE3      LYS 124 -12.456  15.273  12.618
  954    HZ1  LYS 124           HZ1      LYS 124 -13.450  17.098  13.874
  955    HZ2  LYS 124           HZ2      LYS 124 -14.525  16.584  12.755
  956    HZ3  LYS 124           HZ3      LYS 124 -14.716  16.180  14.330
  957    H    SER 125           H        SER 125 -15.281   8.265  13.070
  958    HA   SER 125           HA       SER 125 -17.368   8.319  11.040
  959    HB2  SER 125           HB2      SER 125 -16.147   5.993  12.574
  960    HB3  SER 125           HB3      SER 125 -17.232   5.868  11.173
  961    HG   SER 125           HG       SER 125 -15.409   7.627  10.498
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  18.017  -7.178  -5.578
    2    H2   MET   1           H2       MET   1  17.442  -8.685  -5.322
    3    H3   MET   1           H3       MET   1  18.677  -8.445  -6.369
    4    HA   MET   1           HA       MET   1  17.258  -7.193  -7.865
    5    HB2  MET   1           HB2      MET   1  16.142  -9.939  -7.129
    6    HB3  MET   1           HB3      MET   1  15.668  -9.022  -8.558
    7    HG2  MET   1           HG2      MET   1  18.020  -9.025  -9.348
    8    HG3  MET   1           HG3      MET   1  18.480 -10.018  -7.965
    9    HE1  MET   1           HE1      MET   1  19.610 -11.769  -9.574
   10    HE2  MET   1           HE2      MET   1  18.800 -12.509 -10.970
   11    HE3  MET   1           HE3      MET   1  19.163 -10.766 -10.973
   12    H    ALA   2           H        ALA   2  15.127  -6.442  -8.443
   13    HA   ALA   2           HA       ALA   2  13.596  -5.395  -6.182
   14    HB1  ALA   2           HB1      ALA   2  13.158  -5.199  -9.196
   15    HB2  ALA   2           HB2      ALA   2  12.339  -4.229  -7.958
   16    HB3  ALA   2           HB3      ALA   2  14.088  -4.048  -8.202
   17    H    SER   3           H        SER   3  11.242  -5.556  -6.051
   18    HA   SER   3           HA       SER   3   9.787  -7.788  -7.168
   19    HB2  SER   3           HB2      SER   3   9.470  -9.032  -5.054
   20    HB3  SER   3           HB3      SER   3  11.152  -9.061  -5.584
   21    HG   SER   3           HG       SER   3  10.973  -8.630  -3.345
   22    HA   PRO   4           HA       PRO   4   6.288  -5.347  -5.892
   23    HB2  PRO   4           HB2      PRO   4   5.018  -7.850  -4.773
   24    HB3  PRO   4           HB3      PRO   4   4.326  -6.627  -5.885
   25    HG2  PRO   4           HG2      PRO   4   5.198  -9.002  -6.840
   26    HG3  PRO   4           HG3      PRO   4   5.582  -7.490  -7.727
   27    HD2  PRO   4           HD2      PRO   4   7.333  -9.046  -5.806
   28    HD3  PRO   4           HD3      PRO   4   7.742  -8.376  -7.417
   29    H    HIS   5           H        HIS   5   5.517  -4.205  -4.123
   30    HA   HIS   5           HA       HIS   5   6.048  -5.134  -1.352
   31    HB2  HIS   5           HB2      HIS   5   7.164  -2.631  -2.684
   32    HB3  HIS   5           HB3      HIS   5   6.887  -2.698  -0.951
   33    HD1  HIS   5           HD1      HIS   5   9.024  -4.651  -3.566
   34    HD2  HIS   5           HD2      HIS   5   8.747  -3.726   0.536
   35    HE1  HIS   5           HE1      HIS   5  11.157  -5.519  -2.497
   36    H    GLN   6           H        GLN   6   4.869  -3.981   0.269
   37    HA   GLN   6           HA       GLN   6   2.745  -2.097  -0.442
   38    HB2  GLN   6           HB2      GLN   6   1.782  -4.291  -1.126
   39    HB3  GLN   6           HB3      GLN   6   2.102  -4.945   0.480
   40    HG2  GLN   6           HG2      GLN   6   0.482  -3.398   1.477
   41    HG3  GLN   6           HG3      GLN   6   0.271  -2.567  -0.075
   42   HE21  GLN   6          HE22      GLN   6  -0.191  -5.848   1.476
   43   HE22  GLN   6          HE21      GLN   6  -1.593  -6.216   0.488
   44    H    GLU   7           H        GLU   7   2.102  -0.919   1.423
   45    HA   GLU   7           HA       GLU   7   2.947  -1.862   4.071
   46    HB2  GLU   7           HB2      GLU   7   4.197   0.281   4.510
   47    HB3  GLU   7           HB3      GLU   7   4.999  -0.923   3.498
   48    HG2  GLU   7           HG2      GLU   7   4.376   0.406   1.470
   49    HG3  GLU   7           HG3      GLU   7   3.637   1.622   2.518
   50    HA   PRO   8           HA       PRO   8  -0.489   0.908   5.158
   51    HB2  PRO   8           HB2      PRO   8  -0.791   0.242   7.749
   52    HB3  PRO   8           HB3      PRO   8  -1.205  -0.924   6.452
   53    HG2  PRO   8           HG2      PRO   8   1.376  -0.766   8.040
   54    HG3  PRO   8           HG3      PRO   8   0.360  -2.212   7.751
   55    HD2  PRO   8           HD2      PRO   8   2.562  -1.577   6.243
   56    HD3  PRO   8           HD3      PRO   8   1.135  -2.406   5.544
   57    H    LYS   9           H        LYS   9  -0.659   2.863   6.313
   58    HA   LYS   9           HA       LYS   9   1.870   3.966   7.470
   59    HB2  LYS   9           HB2      LYS   9  -0.390   5.127   5.847
   60    HB3  LYS   9           HB3      LYS   9   0.369   6.160   7.047
   61    HG2  LYS   9           HG2      LYS   9   1.339   6.376   4.772
   62    HG3  LYS   9           HG3      LYS   9   2.515   6.018   6.039
   63    HD2  LYS   9           HD2      LYS   9   2.711   3.705   5.359
   64    HD3  LYS   9           HD3      LYS   9   1.382   3.858   4.208
   65    HE2  LYS   9           HE2      LYS   9   4.035   5.382   4.060
   66    HE3  LYS   9           HE3      LYS   9   3.710   3.871   3.213
   67    HZ1  LYS   9           HZ1      LYS   9   3.347   5.749   1.758
   68    HZ2  LYS   9           HZ2      LYS   9   1.920   4.986   2.002
   69    HZ3  LYS   9           HZ3      LYS   9   2.235   6.409   2.759
   70    HA   PRO  10           HA       PRO  10   0.291   3.786  11.360
   71    HB2  PRO  10           HB2      PRO  10   1.271   5.928  12.772
   72    HB3  PRO  10           HB3      PRO  10   2.291   4.587  12.138
   73    HG2  PRO  10           HG2      PRO  10   1.740   7.275  10.839
   74    HG3  PRO  10           HG3      PRO  10   3.331   6.483  11.113
   75    HD2  PRO  10           HD2      PRO  10   2.058   6.298   8.722
   76    HD3  PRO  10           HD3      PRO  10   2.924   4.887   9.401
   77    H    GLY  11           H        GLY  11  -1.580   4.021  12.353
   78    HA2  GLY  11           HA2      GLY  11  -3.603   4.949  13.072
   79    HA3  GLY  11           HA3      GLY  11  -3.274   6.441  12.156
   80    H    ASP  12           H        ASP  12  -2.685   4.123   9.922
   81    HA   ASP  12           HA       ASP  12  -5.397   4.319   8.763
   82    HB2  ASP  12           HB2      ASP  12  -3.109   4.847   7.587
   83    HB3  ASP  12           HB3      ASP  12  -3.011   3.092   7.388
   84    H    LEU  13           H        LEU  13  -6.219   2.352   7.579
   85    HA   LEU  13           HA       LEU  13  -5.877  -0.074   9.285
   86    HB2  LEU  13           HB2      LEU  13  -8.128  -0.458   9.477
   87    HB3  LEU  13           HB3      LEU  13  -7.958   1.242   9.836
   88    HG   LEU  13           HG       LEU  13  -8.827   0.196   7.100
   89   HD11  LEU  13          HD11      LEU  13 -10.338  -0.583   8.882
   90   HD12  LEU  13          HD12      LEU  13 -10.554   1.100   9.427
   91   HD13  LEU  13          HD13      LEU  13 -11.123   0.594   7.815
   92   HD21  LEU  13          HD21      LEU  13  -9.850   2.484   6.926
   93   HD22  LEU  13          HD22      LEU  13  -9.055   2.923   8.449
   94   HD23  LEU  13          HD23      LEU  13  -8.085   2.523   7.009
   95    H    ILE  14           H        ILE  14  -6.689  -2.026   8.490
   96    HA   ILE  14           HA       ILE  14  -5.893  -2.508   5.642
   97    HB   ILE  14           HB       ILE  14  -4.855  -4.131   7.975
   98   HG12  ILE  14          HG12      ILE  14  -3.382  -1.641   7.027
   99   HG13  ILE  14          HG13      ILE  14  -4.170  -1.830   8.595
  100   HG21  ILE  14          HG21      ILE  14  -4.633  -4.891   5.574
  101   HG22  ILE  14          HG22      ILE  14  -3.605  -3.479   5.265
  102   HG23  ILE  14          HG23      ILE  14  -3.091  -4.742   6.405
  103   HD11  ILE  14          HD11      ILE  14  -1.763  -3.394   7.642
  104   HD12  ILE  14          HD12      ILE  14  -1.870  -2.212   8.956
  105   HD13  ILE  14          HD13      ILE  14  -2.696  -3.771   9.121
  106    H    GLU  15           H        GLU  15  -7.025  -4.133   4.679
  107    HA   GLU  15           HA       GLU  15  -8.891  -5.846   6.240
  108    HB2  GLU  15           HB2      GLU  15  -8.361  -5.554   3.246
  109    HB3  GLU  15           HB3      GLU  15  -9.477  -6.713   3.973
  110    HG2  GLU  15           HG2      GLU  15 -10.782  -4.844   4.951
  111    HG3  GLU  15           HG3      GLU  15  -9.693  -3.688   4.168
  112    H    ILE  16           H        ILE  16  -8.264  -7.856   6.829
  113    HA   ILE  16           HA       ILE  16  -5.718  -9.011   5.732
  114    HB   ILE  16           HB       ILE  16  -7.006  -9.531   8.432
  115   HG12  ILE  16          HG12      ILE  16  -6.252  -7.242   8.535
  116   HG13  ILE  16          HG13      ILE  16  -5.233  -8.275   9.510
  117   HG21  ILE  16          HG21      ILE  16  -4.338 -10.358   7.211
  118   HG22  ILE  16          HG22      ILE  16  -4.750 -10.547   8.925
  119   HG23  ILE  16          HG23      ILE  16  -5.681 -11.413   7.703
  120   HD11  ILE  16          HD11      ILE  16  -3.893  -6.604   8.326
  121   HD12  ILE  16          HD12      ILE  16  -3.469  -8.220   7.744
  122   HD13  ILE  16          HD13      ILE  16  -4.520  -7.167   6.768
  123    H    PHE  17           H        PHE  17  -5.973 -10.757   4.531
  124    HA   PHE  17           HA       PHE  17  -8.499 -12.281   4.448
  125    HB2  PHE  17           HB2      PHE  17  -7.338 -11.627   2.373
  126    HB3  PHE  17           HB3      PHE  17  -5.895 -12.466   2.896
  127    HD1  PHE  17           HD1      PHE  17  -9.435 -12.947   1.815
  128    HD2  PHE  17           HD2      PHE  17  -5.643 -14.852   2.580
  129    HE1  PHE  17           HE1      PHE  17 -10.272 -15.035   0.770
  130    HE2  PHE  17           HE2      PHE  17  -6.476 -16.930   1.510
  131    HZ   PHE  17           HZ       PHE  17  -8.797 -17.027   0.607
  132    H    ARG  18           H        ARG  18  -8.614 -13.302   6.427
  133    HA   ARG  18           HA       ARG  18  -6.434 -14.568   7.771
  134    HB2  ARG  18           HB2      ARG  18  -8.419 -13.707   8.892
  135    HB3  ARG  18           HB3      ARG  18  -9.420 -14.936   8.157
  136    HG2  ARG  18           HG2      ARG  18  -8.754 -15.349  10.552
  137    HG3  ARG  18           HG3      ARG  18  -8.415 -16.673   9.450
  138    HD2  ARG  18           HD2      ARG  18  -6.629 -16.295  11.123
  139    HD3  ARG  18           HD3      ARG  18  -6.053 -16.167   9.453
  140    HE   ARG  18           HE       ARG  18  -6.847 -13.573  10.518
  141   HH11  ARG  18          HH11      ARG  18  -4.126 -15.848  10.740
  142   HH12  ARG  18          HH12      ARG  18  -2.960 -14.559  10.782
  143   HH21  ARG  18          HH21      ARG  18  -5.344 -12.030  10.538
  144   HH22  ARG  18          HH22      ARG  18  -3.630 -12.421  10.562
  145    H    LEU  19           H        LEU  19  -9.279 -16.232   6.381
  146    HA   LEU  19           HA       LEU  19  -7.625 -18.572   5.587
  147    HB2  LEU  19           HB2      LEU  19  -9.416 -18.326   8.007
  148    HB3  LEU  19           HB3      LEU  19  -9.273 -19.907   7.213
  149    HG   LEU  19           HG       LEU  19  -6.990 -18.355   8.483
  150   HD11  LEU  19          HD11      LEU  19  -7.063 -20.123  10.178
  151   HD12  LEU  19          HD12      LEU  19  -8.606 -19.264  10.104
  152   HD13  LEU  19          HD13      LEU  19  -8.457 -20.873   9.363
  153   HD21  LEU  19          HD21      LEU  19  -7.049 -21.132   7.204
  154   HD22  LEU  19          HD22      LEU  19  -6.113 -19.728   6.628
  155   HD23  LEU  19          HD23      LEU  19  -5.710 -20.479   8.170
  156    H    GLY  20           H        GLY  20 -10.820 -19.455   6.238
  157    HA2  GLY  20           HA2      GLY  20 -11.707 -19.124   3.425
  158    HA3  GLY  20           HA3      GLY  20 -12.572 -19.964   4.742
  159    H    TYR  21           H        TYR  21 -11.248 -16.778   5.184
  160    HA   TYR  21           HA       TYR  21 -13.587 -15.164   4.878
  161    HB2  TYR  21           HB2      TYR  21 -14.091 -14.855   7.258
  162    HB3  TYR  21           HB3      TYR  21 -14.415 -16.498   6.749
  163    HD1  TYR  21           HD2      TYR  21 -13.049 -18.379   7.575
  164    HD2  TYR  21           HD1      TYR  21 -12.365 -14.335   8.904
  165    HE1  TYR  21           HE2      TYR  21 -11.761 -19.241   9.520
  166    HE2  TYR  21           HE1      TYR  21 -11.086 -15.189  10.855
  167    HH   TYR  21           HH       TYR  21 -10.343 -17.058  11.984
  168    H    GLU  22           H        GLU  22 -13.298 -13.020   6.029
  169    HA   GLU  22           HA       GLU  22 -10.421 -12.233   6.212
  170    HB2  GLU  22           HB2      GLU  22 -12.694 -10.526   5.121
  171    HB3  GLU  22           HB3      GLU  22 -10.988 -10.114   5.212
  172    HG2  GLU  22           HG2      GLU  22 -11.171 -10.671   2.995
  173    HG3  GLU  22           HG3      GLU  22 -10.601 -12.192   3.681
  174    H    HIS  23           H        HIS  23 -10.042 -10.238   7.434
  175    HA   HIS  23           HA       HIS  23 -12.098  -9.175   9.192
  176    HB2  HIS  23           HB2      HIS  23 -11.121  -9.664  11.297
  177    HB3  HIS  23           HB3      HIS  23 -11.333 -11.182  10.462
  178    HD1  HIS  23           HD1      HIS  23  -9.077 -10.086  12.780
  179    HD2  HIS  23           HD2      HIS  23  -8.626 -11.532   8.868
  180    HE1  HIS  23           HE1      HIS  23  -6.698 -10.989  12.616
  181    H    TRP  24           H        TRP  24 -10.631  -7.526  10.850
  182    HA   TRP  24           HA       TRP  24  -9.023  -5.920   8.892
  183    HB2  TRP  24           HB2      TRP  24 -10.989  -4.977  10.995
  184    HB3  TRP  24           HB3      TRP  24  -9.907  -3.932  10.087
  185    HD1  TRP  24           HD1      TRP  24 -13.007  -6.009   9.731
  186    HE1  TRP  24           HE1      TRP  24 -14.425  -5.125   7.778
  187    HE3  TRP  24           HE3      TRP  24  -9.616  -2.764   7.721
  188    HZ2  TRP  24           HZ2      TRP  24 -14.125  -3.195   5.644
  189    HZ3  TRP  24           HZ3      TRP  24 -10.221  -1.367   5.764
  190    HH2  TRP  24           HH2      TRP  24 -12.471  -1.575   4.717
  191    H    ALA  25           H        ALA  25  -7.445  -4.542   9.647
  192    HA   ALA  25           HA       ALA  25  -6.701  -4.596  12.501
  193    HB1  ALA  25           HB1      ALA  25  -4.703  -5.093  10.237
  194    HB2  ALA  25           HB2      ALA  25  -4.320  -4.986  11.964
  195    HB3  ALA  25           HB3      ALA  25  -5.300  -6.332  11.356
  196    H    LEU  26           H        LEU  26  -5.323  -2.880  13.167
  197    HA   LEU  26           HA       LEU  26  -5.323  -0.380  11.506
  198    HB2  LEU  26           HB2      LEU  26  -7.038  -0.660  13.449
  199    HB3  LEU  26           HB3      LEU  26  -5.675  -0.628  14.529
  200    HG   LEU  26           HG       LEU  26  -6.702   1.466  14.593
  201   HD11  LEU  26          HD11      LEU  26  -4.191   1.551  14.539
  202   HD12  LEU  26          HD12      LEU  26  -4.302   2.024  12.822
  203   HD13  LEU  26          HD13      LEU  26  -5.005   3.054  14.079
  204   HD21  LEU  26          HD21      LEU  26  -7.162   2.907  12.678
  205   HD22  LEU  26          HD22      LEU  26  -6.442   1.726  11.572
  206   HD23  LEU  26          HD23      LEU  26  -7.941   1.330  12.440
  207    H    TYR  27           H        TYR  27  -3.256   0.370  11.211
  208    HA   TYR  27           HA       TYR  27  -0.998  -0.922  12.561
  209    HB2  TYR  27           HB2      TYR  27  -1.234  -0.332  10.112
  210    HB3  TYR  27           HB3      TYR  27  -1.026   1.343  10.547
  211    HD1  TYR  27           HD2      TYR  27   0.663  -2.007  11.067
  212    HD2  TYR  27           HD1      TYR  27   1.129   2.174  10.230
  213    HE1  TYR  27           HE2      TYR  27   3.065  -2.380  10.554
  214    HE2  TYR  27           HE1      TYR  27   3.519   1.823   9.692
  215    HH   TYR  27           HH       TYR  27   5.174   0.274   9.373
  216    H    ILE  28           H        ILE  28  -0.571  -0.332  14.600
  217    HA   ILE  28           HA       ILE  28  -1.002   2.496  15.483
  218    HB   ILE  28           HB       ILE  28  -0.689   1.584  17.777
  219   HG12  ILE  28          HG12      ILE  28  -0.997  -1.204  16.631
  220   HG13  ILE  28          HG13      ILE  28   0.601  -0.513  16.937
  221   HG21  ILE  28          HG21      ILE  28  -2.933   0.244  16.227
  222   HG22  ILE  28          HG22      ILE  28  -2.917   0.739  17.941
  223   HG23  ILE  28          HG23      ILE  28  -2.898   1.963  16.679
  224   HD11  ILE  28          HD11      ILE  28  -0.178  -1.904  18.816
  225   HD12  ILE  28          HD12      ILE  28   0.135  -0.226  19.291
  226   HD13  ILE  28          HD13      ILE  28  -1.534  -0.791  19.087
  227    H    GLY  29           H        GLY  29   1.687   0.573  14.589
  228    HA2  GLY  29           HA2      GLY  29   3.499   2.767  15.224
  229    HA3  GLY  29           HA3      GLY  29   3.805   1.322  16.177
  230    H    ASP  30           H        ASP  30   5.839   1.952  14.655
  231    HA   ASP  30           HA       ASP  30   5.737   0.998  11.949
  232    HB2  ASP  30           HB2      ASP  30   8.075   1.496  13.832
  233    HB3  ASP  30           HB3      ASP  30   8.251   1.036  12.138
  234    H    GLY  31           H        GLY  31   4.820  -0.986  11.903
  235    HA2  GLY  31           HA2      GLY  31   5.138  -3.298  11.491
  236    HA3  GLY  31           HA3      GLY  31   6.392  -3.369  12.753
  237    H    TYR  32           H        TYR  32   3.746  -1.645  13.980
  238    HA   TYR  32           HA       TYR  32   2.812  -4.098  15.442
  239    HB2  TYR  32           HB2      TYR  32   3.078  -1.212  16.324
  240    HB3  TYR  32           HB3      TYR  32   2.247  -2.446  17.253
  241    HD1  TYR  32           HD1      TYR  32   5.575  -1.356  16.000
  242    HD2  TYR  32           HD2      TYR  32   3.432  -4.176  18.462
  243    HE1  TYR  32           HE1      TYR  32   7.719  -2.089  17.018
  244    HE2  TYR  32           HE2      TYR  32   5.571  -4.904  19.494
  245    HH   TYR  32           HH       TYR  32   7.857  -4.620  19.559
  246    H    VAL  33           H        VAL  33   0.631  -4.545  15.685
  247    HA   VAL  33           HA       VAL  33  -1.319  -2.634  14.491
  248    HB   VAL  33           HB       VAL  33  -2.507  -4.593  13.434
  249   HG11  VAL  33          HG11      VAL  33  -1.135  -4.654  11.415
  250   HG12  VAL  33          HG12      VAL  33  -1.278  -3.021  12.056
  251   HG13  VAL  33          HG13      VAL  33   0.229  -3.939  12.299
  252   HG21  VAL  33          HG21      VAL  33  -1.352  -6.455  14.615
  253   HG22  VAL  33          HG22      VAL  33  -1.278  -6.600  12.855
  254   HG23  VAL  33          HG23      VAL  33   0.144  -6.048  13.751
  255    H    ILE  34           H        ILE  34  -3.402  -2.813  15.038
  256    HA   ILE  34           HA       ILE  34  -4.218  -4.491  17.409
  257    HB   ILE  34           HB       ILE  34  -5.221  -1.822  16.326
  258   HG12  ILE  34          HG12      ILE  34  -3.193  -1.733  17.747
  259   HG13  ILE  34          HG13      ILE  34  -4.561  -0.841  18.389
  260   HG21  ILE  34          HG21      ILE  34  -6.872  -1.839  18.227
  261   HG22  ILE  34          HG22      ILE  34  -7.225  -2.987  16.940
  262   HG23  ILE  34          HG23      ILE  34  -6.508  -3.564  18.457
  263   HD11  ILE  34          HD11      ILE  34  -5.022  -2.635  19.989
  264   HD12  ILE  34          HD12      ILE  34  -3.659  -3.580  19.345
  265   HD13  ILE  34          HD13      ILE  34  -3.366  -2.032  20.163
  266    H    HIS  35           H        HIS  35  -5.925  -5.930  17.019
  267    HA   HIS  35           HA       HIS  35  -7.338  -5.838  14.410
  268    HB2  HIS  35           HB2      HIS  35  -6.456  -8.137  13.862
  269    HB3  HIS  35           HB3      HIS  35  -5.263  -6.855  13.777
  270    HD1  HIS  35           HD1      HIS  35  -5.862 -10.115  15.593
  271    HD2  HIS  35           HD2      HIS  35  -3.452  -6.684  15.876
  272    HE1  HIS  35           HE1      HIS  35  -3.950 -10.700  17.174
  273    H    LEU  36           H        LEU  36  -9.249  -6.970  14.349
  274    HA   LEU  36           HA       LEU  36 -10.249  -8.022  16.928
  275    HB2  LEU  36           HB2      LEU  36 -11.604  -6.432  15.608
  276    HB3  LEU  36           HB3      LEU  36 -11.579  -7.530  14.223
  277    HG   LEU  36           HG       LEU  36 -12.832  -9.219  15.702
  278   HD11  LEU  36          HD11      LEU  36 -12.280  -8.262  17.915
  279   HD12  LEU  36          HD12      LEU  36 -13.084  -6.746  17.482
  280   HD13  LEU  36          HD13      LEU  36 -14.033  -8.227  17.671
  281   HD21  LEU  36          HD21      LEU  36 -14.996  -8.117  15.383
  282   HD22  LEU  36          HD22      LEU  36 -14.197  -6.539  15.196
  283   HD23  LEU  36          HD23      LEU  36 -13.946  -7.815  13.987
  284    H    ALA  37           H        ALA  37 -10.095 -10.131  17.393
  285    HA   ALA  37           HA       ALA  37  -9.702 -12.191  15.312
  286    HB1  ALA  37           HB1      ALA  37  -8.501 -12.351  17.446
  287    HB2  ALA  37           HB2      ALA  37 -10.034 -12.350  18.344
  288    HB3  ALA  37           HB3      ALA  37  -9.637 -13.708  17.270
  289    HA   PRO  38           HA       PRO  38 -14.178 -11.841  15.042
  290    HB2  PRO  38           HB2      PRO  38 -14.689 -13.333  12.808
  291    HB3  PRO  38           HB3      PRO  38 -13.814 -11.774  12.756
  292    HG2  PRO  38           HG2      PRO  38 -12.647 -14.576  12.842
  293    HG3  PRO  38           HG3      PRO  38 -12.250 -13.246  11.696
  294    HD2  PRO  38           HD2      PRO  38 -10.749 -13.738  13.926
  295    HD3  PRO  38           HD3      PRO  38 -11.035 -12.079  13.325
  296    HA   PRO  39           HA       PRO  39 -16.243 -15.335  16.912
  297    HB2  PRO  39           HB2      PRO  39 -18.224 -15.250  14.630
  298    HB3  PRO  39           HB3      PRO  39 -18.549 -15.329  16.387
  299    HG2  PRO  39           HG2      PRO  39 -18.794 -12.974  15.091
  300    HG3  PRO  39           HG3      PRO  39 -17.934 -13.019  16.670
  301    HD2  PRO  39           HD2      PRO  39 -16.746 -13.067  13.875
  302    HD3  PRO  39           HD3      PRO  39 -16.296 -12.028  15.255
  303    H    SER  40           H        SER  40 -16.604 -17.606  16.756
  304    HA   SER  40           HA       SER  40 -16.382 -19.075  14.260
  305    HB2  SER  40           HB2      SER  40 -13.977 -18.506  14.763
  306    HB3  SER  40           HB3      SER  40 -14.132 -19.403  16.282
  307    HG   SER  40           HG       SER  40 -13.275 -20.678  14.541
  308    H    GLU  41           H        GLU  41 -16.741 -21.421  14.619
  309    HA   GLU  41           HA       GLU  41 -18.460 -21.820  17.031
  310    HB2  GLU  41           HB2      GLU  41 -18.541 -23.091  14.271
  311    HB3  GLU  41           HB3      GLU  41 -19.565 -23.565  15.635
  312    HG2  GLU  41           HG2      GLU  41 -20.553 -21.328  15.740
  313    HG3  GLU  41           HG3      GLU  41 -19.521 -20.769  14.416
  314    H    TYR  42           H        TYR  42 -18.308 -23.588  18.314
  315    HA   TYR  42           HA       TYR  42 -15.933 -25.215  18.353
  316    HB2  TYR  42           HB2      TYR  42 -18.642 -25.440  19.712
  317    HB3  TYR  42           HB3      TYR  42 -17.362 -26.596  19.990
  318    HD1  TYR  42           HD2      TYR  42 -14.997 -25.586  20.670
  319    HD2  TYR  42           HD1      TYR  42 -18.788 -23.605  21.201
  320    HE1  TYR  42           HE2      TYR  42 -14.020 -24.226  22.499
  321    HE2  TYR  42           HE1      TYR  42 -17.821 -22.240  23.044
  322    HH   TYR  42           HH       TYR  42 -14.410 -22.627  24.096
  323    HA   PRO  43           HA       PRO  43 -17.035 -28.436  15.492
  324    HB2  PRO  43           HB2      PRO  43 -15.640 -30.599  16.393
  325    HB3  PRO  43           HB3      PRO  43 -14.838 -29.138  15.741
  326    HG2  PRO  43           HG2      PRO  43 -15.350 -29.829  18.651
  327    HG3  PRO  43           HG3      PRO  43 -13.817 -29.299  17.894
  328    HD2  PRO  43           HD2      PRO  43 -15.484 -27.554  19.167
  329    HD3  PRO  43           HD3      PRO  43 -14.564 -27.070  17.710
  330    H    GLY  44           H        GLY  44 -18.034 -30.605  15.286
  331    HA2  GLY  44           HA2      GLY  44 -19.407 -32.352  15.882
  332    HA3  GLY  44           HA3      GLY  44 -19.373 -31.818  17.583
  333    H    ALA  45           H        ALA  45 -20.311 -29.381  15.452
  334    HA   ALA  45           HA       ALA  45 -22.822 -28.924  16.592
  335    HB1  ALA  45           HB1      ALA  45 -21.456 -27.265  15.301
  336    HB2  ALA  45           HB2      ALA  45 -21.897 -28.102  13.801
  337    HB3  ALA  45           HB3      ALA  45 -23.150 -27.317  14.783
  338    H    GLY  46           H        GLY  46 -24.937 -29.284  16.056
  339    HA2  GLY  46           HA2      GLY  46 -26.816 -30.202  15.069
  340    HA3  GLY  46           HA3      GLY  46 -25.837 -30.564  13.629
  341    H    SER  47           H        SER  47 -24.849 -31.907  16.729
  342    HA   SER  47           HA       SER  47 -25.999 -34.577  16.056
  343    HB2  SER  47           HB2      SER  47 -23.727 -34.257  14.966
  344    HB3  SER  47           HB3      SER  47 -23.039 -34.148  16.596
  345    HG   SER  47           HG       SER  47 -22.999 -36.293  15.673
  346    H    SER  48           H        SER  48 -25.429 -36.202  17.861
  347    HA   SER  48           HA       SER  48 -26.722 -35.328  20.186
  348    HB2  SER  48           HB2      SER  48 -24.898 -37.740  19.884
  349    HB3  SER  48           HB3      SER  48 -26.173 -37.530  21.096
  350    HG   SER  48           HG       SER  48 -26.892 -38.793  19.327
  351    H    SER  49           H        SER  49 -23.304 -35.035  19.532
  352    HA   SER  49           HA       SER  49 -22.455 -34.681  22.309
  353    HB2  SER  49           HB2      SER  49 -20.362 -33.858  21.185
  354    HB3  SER  49           HB3      SER  49 -20.859 -35.497  20.728
  355    HG   SER  49           HG       SER  49 -20.268 -34.255  18.897
  356    H    VAL  50           H        VAL  50 -23.959 -32.631  19.927
  357    HA   VAL  50           HA       VAL  50 -24.608 -30.539  21.553
  358    HB   VAL  50           HB       VAL  50 -22.348 -29.794  21.877
  359   HG11  VAL  50          HG11      VAL  50 -22.002 -29.429  18.877
  360   HG12  VAL  50          HG12      VAL  50 -20.833 -29.069  20.157
  361   HG13  VAL  50          HG13      VAL  50 -21.268 -30.748  19.819
  362   HG21  VAL  50          HG21      VAL  50 -22.507 -27.499  21.191
  363   HG22  VAL  50          HG22      VAL  50 -23.747 -27.892  19.987
  364   HG23  VAL  50          HG23      VAL  50 -24.086 -28.097  21.718
  365    H    PHE  51           H        PHE  51 -26.338 -29.807  20.618
  366    HA   PHE  51           HA       PHE  51 -26.459 -29.423  17.652
  367    HB2  PHE  51           HB2      PHE  51 -28.723 -30.397  17.728
  368    HB3  PHE  51           HB3      PHE  51 -27.479 -31.529  18.209
  369    HD1  PHE  51           HD2      PHE  51 -30.293 -29.430  19.452
  370    HD2  PHE  51           HD1      PHE  51 -27.387 -32.458  20.451
  371    HE1  PHE  51           HE2      PHE  51 -31.500 -29.889  21.573
  372    HE2  PHE  51           HE1      PHE  51 -28.603 -32.925  22.565
  373    HZ   PHE  51           HZ       PHE  51 -30.653 -31.633  23.136
  374    H    SER  52           H        SER  52 -26.595 -27.730  20.472
  375    HA   SER  52           HA       SER  52 -28.636 -25.761  19.509
  376    HB2  SER  52           HB2      SER  52 -28.697 -26.536  21.886
  377    HB3  SER  52           HB3      SER  52 -27.103 -25.809  22.130
  378    HG   SER  52           HG       SER  52 -28.982 -24.471  22.692
  379    H    VAL  53           H        VAL  53 -27.545 -23.450  20.470
  380    HA   VAL  53           HA       VAL  53 -25.639 -22.710  18.404
  381    HB   VAL  53           HB       VAL  53 -27.353 -21.161  19.214
  382   HG11  VAL  53          HG11      VAL  53 -27.269 -21.630  21.663
  383   HG12  VAL  53          HG12      VAL  53 -25.696 -20.813  21.751
  384   HG13  VAL  53          HG13      VAL  53 -27.143 -19.905  21.281
  385   HG21  VAL  53          HG21      VAL  53 -26.011 -19.151  19.142
  386   HG22  VAL  53          HG22      VAL  53 -24.550 -20.043  19.612
  387   HG23  VAL  53          HG23      VAL  53 -25.321 -20.349  18.036
  388    H    LEU  54           H        LEU  54 -23.487 -22.352  18.481
  389    HA   LEU  54           HA       LEU  54 -21.944 -22.694  20.974
  390    HB2  LEU  54           HB2      LEU  54 -20.860 -24.662  20.379
  391    HB3  LEU  54           HB3      LEU  54 -22.551 -24.963  20.076
  392    HG   LEU  54           HG       LEU  54 -20.328 -24.565  18.042
  393   HD11  LEU  54          HD11      LEU  54 -20.602 -26.780  19.175
  394   HD12  LEU  54          HD12      LEU  54 -22.253 -26.872  18.522
  395   HD13  LEU  54          HD13      LEU  54 -20.861 -26.849  17.430
  396   HD21  LEU  54          HD21      LEU  54 -23.307 -24.802  17.445
  397   HD22  LEU  54          HD22      LEU  54 -22.247 -23.423  17.052
  398   HD23  LEU  54          HD23      LEU  54 -21.996 -24.976  16.254
  399    H    SER  55           H        SER  55 -22.271 -20.439  19.148
  400    HA   SER  55           HA       SER  55 -19.613 -20.156  17.876
  401    HB2  SER  55           HB2      SER  55 -20.478 -17.996  17.080
  402    HB3  SER  55           HB3      SER  55 -21.490 -19.366  16.605
  403    HG   SER  55           HG       SER  55 -22.863 -17.795  17.329
  404    H    ASN  56           H        ASN  56 -17.973 -19.013  18.638
  405    HA   ASN  56           HA       ASN  56 -17.970 -18.006  21.381
  406    HB2  ASN  56           HB2      ASN  56 -15.845 -18.165  19.194
  407    HB3  ASN  56           HB3      ASN  56 -15.554 -17.553  20.818
  408   HD21  ASN  56          HD21      ASN  56 -16.373 -20.509  18.970
  409   HD22  ASN  56          HD22      ASN  56 -15.974 -21.611  20.288
  410    H    SER  57           H        SER  57 -17.448 -15.836  22.009
  411    HA   SER  57           HA       SER  57 -18.385 -13.651  20.308
  412    HB2  SER  57           HB2      SER  57 -16.838 -13.602  22.922
  413    HB3  SER  57           HB3      SER  57 -17.659 -12.225  22.159
  414    HG   SER  57           HG       SER  57 -18.951 -13.266  23.790
  415    H    ALA  58           H        ALA  58 -17.079 -11.832  19.608
  416    HA   ALA  58           HA       ALA  58 -14.434 -12.524  18.534
  417    HB1  ALA  58           HB1      ALA  58 -16.234 -11.200  17.295
  418    HB2  ALA  58           HB2      ALA  58 -15.971  -9.881  18.446
  419    HB3  ALA  58           HB3      ALA  58 -14.654 -10.410  17.376
  420    H    GLU  59           H        GLU  59 -12.542 -11.129  18.965
  421    HA   GLU  59           HA       GLU  59 -12.547  -9.631  21.541
  422    HB2  GLU  59           HB2      GLU  59 -11.953 -12.018  22.006
  423    HB3  GLU  59           HB3      GLU  59 -10.576 -11.872  20.910
  424    HG2  GLU  59           HG2      GLU  59  -9.568 -10.156  22.347
  425    HG3  GLU  59           HG3      GLU  59 -10.998 -10.134  23.380
  426    H    VAL  60           H        VAL  60 -11.347  -7.786  21.419
  427    HA   VAL  60           HA       VAL  60  -9.715  -7.247  19.005
  428    HB   VAL  60           HB       VAL  60 -10.331  -5.491  21.407
  429   HG11  VAL  60          HG11      VAL  60  -8.924  -4.855  18.763
  430   HG12  VAL  60          HG12      VAL  60  -9.476  -3.634  19.922
  431   HG13  VAL  60          HG13      VAL  60  -8.208  -4.758  20.391
  432   HG21  VAL  60          HG21      VAL  60 -11.438  -5.517  18.568
  433   HG22  VAL  60          HG22      VAL  60 -12.329  -5.939  20.045
  434   HG23  VAL  60          HG23      VAL  60 -11.785  -4.276  19.787
  435    H    LYS  61           H        LYS  61  -7.624  -7.537  18.875
  436    HA   LYS  61           HA       LYS  61  -5.937  -7.982  21.312
  437    HB2  LYS  61           HB2      LYS  61  -6.086  -9.665  18.764
  438    HB3  LYS  61           HB3      LYS  61  -5.005  -9.956  20.137
  439    HG2  LYS  61           HG2      LYS  61  -7.080 -10.230  21.593
  440    HG3  LYS  61           HG3      LYS  61  -8.048 -10.084  20.135
  441    HD2  LYS  61           HD2      LYS  61  -7.943 -12.374  20.506
  442    HD3  LYS  61           HD3      LYS  61  -6.844 -12.059  19.164
  443    HE2  LYS  61           HE2      LYS  61  -5.925 -13.707  20.685
  444    HE3  LYS  61           HE3      LYS  61  -4.894 -12.271  20.665
  445    HZ1  LYS  61           HZ1      LYS  61  -5.419 -13.250  22.928
  446    HZ2  LYS  61           HZ2      LYS  61  -5.728 -11.652  22.803
  447    HZ3  LYS  61           HZ3      LYS  61  -6.974 -12.715  22.752
  448    H    ARG  62           H        ARG  62  -3.556  -8.232  20.628
  449    HA   ARG  62           HA       ARG  62  -2.696  -6.140  18.696
  450    HB2  ARG  62           HB2      ARG  62  -3.103  -5.102  20.953
  451    HB3  ARG  62           HB3      ARG  62  -1.937  -6.222  21.655
  452    HG2  ARG  62           HG2      ARG  62  -0.131  -5.231  20.257
  453    HG3  ARG  62           HG3      ARG  62  -1.309  -4.167  19.483
  454    HD2  ARG  62           HD2      ARG  62  -0.086  -2.920  21.180
  455    HD3  ARG  62           HD3      ARG  62  -1.765  -3.079  21.672
  456    HE   ARG  62           HE       ARG  62  -1.144  -4.381  23.483
  457   HH11  ARG  62          HH11      ARG  62   1.744  -4.055  21.437
  458   HH12  ARG  62          HH12      ARG  62   2.773  -4.755  22.649
  459   HH21  ARG  62          HH21      ARG  62   0.250  -5.286  24.976
  460   HH22  ARG  62          HH22      ARG  62   1.942  -5.420  24.621
  461    H    GLU  63           H        GLU  63  -0.742  -6.509  17.795
  462    HA   GLU  63           HA       GLU  63   1.589  -7.426  18.811
  463    HB2  GLU  63           HB2      GLU  63   2.047  -9.641  18.001
  464    HB3  GLU  63           HB3      GLU  63   0.829  -9.643  19.227
  465    HG2  GLU  63           HG2      GLU  63  -0.908  -9.787  17.328
  466    HG3  GLU  63           HG3      GLU  63   0.456 -10.123  16.253
  467    H    ARG  64           H        ARG  64   2.702  -8.739  16.477
  468    HA   ARG  64           HA       ARG  64   2.948  -6.225  14.970
  469    HB2  ARG  64           HB2      ARG  64   4.761  -8.660  15.033
  470    HB3  ARG  64           HB3      ARG  64   5.076  -7.155  14.156
  471    HG2  ARG  64           HG2      ARG  64   4.704  -5.958  16.443
  472    HG3  ARG  64           HG3      ARG  64   4.887  -7.555  17.165
  473    HD2  ARG  64           HD2      ARG  64   6.926  -5.992  15.534
  474    HD3  ARG  64           HD3      ARG  64   7.003  -6.393  17.245
  475    HE   ARG  64           HE       ARG  64   7.426  -8.690  16.737
  476   HH11  ARG  64          HH11      ARG  64   7.664  -6.633  13.846
  477   HH12  ARG  64          HH12      ARG  64   8.433  -7.907  12.921
  478   HH21  ARG  64          HH21      ARG  64   8.533 -10.208  15.489
  479   HH22  ARG  64          HH22      ARG  64   9.017  -9.799  13.866
  480    H    LEU  65           H        LEU  65   3.058  -5.963  12.800
  481    HA   LEU  65           HA       LEU  65   0.939  -7.034  11.315
  482    HB2  LEU  65           HB2      LEU  65   2.046  -4.846  10.901
  483    HB3  LEU  65           HB3      LEU  65   3.503  -5.669  10.347
  484    HG   LEU  65           HG       LEU  65   2.163  -6.653   8.442
  485   HD11  LEU  65          HD11      LEU  65  -0.008  -5.623   7.865
  486   HD12  LEU  65          HD12      LEU  65  -0.127  -6.457   9.419
  487   HD13  LEU  65          HD13      LEU  65   0.021  -4.681   9.365
  488   HD21  LEU  65          HD21      LEU  65   3.565  -4.650   8.149
  489   HD22  LEU  65          HD22      LEU  65   2.111  -4.572   7.132
  490   HD23  LEU  65          HD23      LEU  65   2.202  -3.617   8.629
  491    H    GLU  66           H        GLU  66   4.444  -7.866  10.882
  492    HA   GLU  66           HA       GLU  66   3.982  -9.799   8.890
  493    HB2  GLU  66           HB2      GLU  66   6.206 -10.564   9.231
  494    HB3  GLU  66           HB3      GLU  66   6.180  -8.812   9.392
  495    HG2  GLU  66           HG2      GLU  66   6.255  -9.045  11.872
  496    HG3  GLU  66           HG3      GLU  66   6.282 -10.806  11.703
  497    H    ASP  67           H        ASP  67   3.457 -10.211  12.376
  498    HA   ASP  67           HA       ASP  67   3.348 -13.149  12.179
  499    HB2  ASP  67           HB2      ASP  67   4.012 -11.909  14.266
  500    HB3  ASP  67           HB3      ASP  67   2.349 -11.342  14.411
  501    H    VAL  68           H        VAL  68   1.044 -10.426  12.488
  502    HA   VAL  68           HA       VAL  68  -1.353 -11.932  12.180
  503    HB   VAL  68           HB       VAL  68  -0.778  -9.032  11.515
  504   HG11  VAL  68          HG11      VAL  68  -3.229  -8.654  11.681
  505   HG12  VAL  68          HG12      VAL  68  -2.826  -9.684  10.302
  506   HG13  VAL  68          HG13      VAL  68  -3.491 -10.407  11.787
  507   HG21  VAL  68          HG21      VAL  68  -1.954  -8.667  13.714
  508   HG22  VAL  68          HG22      VAL  68  -2.007 -10.414  13.944
  509   HG23  VAL  68          HG23      VAL  68  -0.442  -9.570  13.880
  510    H    VAL  69           H        VAL  69   0.811 -10.612   9.732
  511    HA   VAL  69           HA       VAL  69  -0.886 -11.437   7.494
  512    HB   VAL  69           HB       VAL  69   1.821 -10.097   7.761
  513   HG11  VAL  69          HG11      VAL  69   1.987 -11.253   5.646
  514   HG12  VAL  69          HG12      VAL  69   0.353 -10.716   5.172
  515   HG13  VAL  69          HG13      VAL  69   1.688  -9.546   5.340
  516   HG21  VAL  69          HG21      VAL  69   0.575  -8.118   6.974
  517   HG22  VAL  69          HG22      VAL  69  -0.899  -9.096   6.779
  518   HG23  VAL  69          HG23      VAL  69  -0.244  -8.804   8.391
  519    H    GLY  70           H        GLY  70   1.684 -12.983   9.315
  520    HA2  GLY  70           HA2      GLY  70   2.797 -14.688   7.365
  521    HA3  GLY  70           HA3      GLY  70   2.692 -15.051   9.092
  522    H    GLY  71           H        GLY  71   1.918 -16.186   6.123
  523    HA2  GLY  71           HA2      GLY  71   0.668 -18.048   5.458
  524    HA3  GLY  71           HA3      GLY  71  -0.135 -18.090   7.043
  525    H    CYS  72           H        CYS  72  -0.332 -14.978   5.795
  526    HA   CYS  72           HA       CYS  72  -3.082 -15.356   4.661
  527    HB2  CYS  72           HB2      CYS  72  -2.027 -13.375   6.750
  528    HB3  CYS  72           HB3      CYS  72  -3.612 -13.241   5.993
  529    HG   CYS  72           HG       CYS  72  -4.495 -15.610   6.710
  530    H    CYS  73           H        CYS  73  -3.851 -13.167   3.789
  531    HA   CYS  73           HA       CYS  73  -1.723 -11.629   2.351
  532    HB2  CYS  73           HB2      CYS  73  -4.473 -12.401   1.229
  533    HB3  CYS  73           HB3      CYS  73  -3.284 -11.356   0.443
  534    HG   CYS  73           HG       CYS  73  -1.339 -13.195   0.412
  535    H    TYR  74           H        TYR  74  -2.584  -9.372   1.749
  536    HA   TYR  74           HA       TYR  74  -4.712  -8.339   3.458
  537    HB2  TYR  74           HB2      TYR  74  -3.401  -6.894   4.821
  538    HB3  TYR  74           HB3      TYR  74  -2.791  -8.515   5.028
  539    HD1  TYR  74           HD2      TYR  74  -0.653  -9.156   3.602
  540    HD2  TYR  74           HD1      TYR  74  -1.934  -5.107   4.351
  541    HE1  TYR  74           HE2      TYR  74   1.653  -8.339   3.170
  542    HE2  TYR  74           HE1      TYR  74   0.366  -4.292   3.961
  543    HH   TYR  74           HH       TYR  74   2.530  -4.876   3.416
  544    H    ARG  75           H        ARG  75  -5.060  -5.999   3.277
  545    HA   ARG  75           HA       ARG  75  -3.761  -4.529   1.092
  546    HB2  ARG  75           HB2      ARG  75  -5.558  -6.027   0.029
  547    HB3  ARG  75           HB3      ARG  75  -6.755  -5.139   0.947
  548    HG2  ARG  75           HG2      ARG  75  -6.680  -4.348  -1.334
  549    HG3  ARG  75           HG3      ARG  75  -6.131  -3.050  -0.273
  550    HD2  ARG  75           HD2      ARG  75  -3.803  -3.500  -0.856
  551    HD3  ARG  75           HD3      ARG  75  -4.276  -4.943  -1.790
  552    HE   ARG  75           HE       ARG  75  -5.684  -2.816  -2.918
  553   HH11  ARG  75          HH21      ARG  75  -2.246  -3.572  -2.455
  554   HH12  ARG  75          HH22      ARG  75  -1.780  -2.768  -3.932
  555   HH21  ARG  75          HH11      ARG  75  -5.009  -1.768  -4.784
  556   HH22  ARG  75          HH12      ARG  75  -3.326  -1.753  -5.227
  557    H    VAL  76           H        VAL  76  -3.848  -2.308   1.476
  558    HA   VAL  76           HA       VAL  76  -5.185  -1.325   3.919
  559    HB   VAL  76           HB       VAL  76  -3.605   0.129   1.771
  560   HG11  VAL  76          HG11      VAL  76  -4.683   1.253   4.399
  561   HG12  VAL  76          HG12      VAL  76  -3.529   2.066   3.329
  562   HG13  VAL  76          HG13      VAL  76  -5.169   1.761   2.770
  563   HG21  VAL  76          HG21      VAL  76  -2.271  -1.402   3.200
  564   HG22  VAL  76          HG22      VAL  76  -1.867   0.290   3.497
  565   HG23  VAL  76          HG23      VAL  76  -2.900  -0.588   4.649
  566    H    ASN  77           H        ASN  77  -7.090  -0.192   4.031
  567    HA   ASN  77           HA       ASN  77  -8.302   0.949   1.619
  568    HB2  ASN  77           HB2      ASN  77  -9.065  -1.415   1.480
  569    HB3  ASN  77           HB3      ASN  77  -9.775  -1.276   3.086
  570   HD21  ASN  77          HD22      ASN  77 -11.739   0.051   3.346
  571   HD22  ASN  77          HD21      ASN  77 -12.611   0.629   1.934
  572    H    ASN  78           H        ASN  78  -9.270   2.798   2.109
  573    HA   ASN  78           HA       ASN  78 -10.372   3.298   4.821
  574    HB2  ASN  78           HB2      ASN  78  -7.839   3.772   4.600
  575    HB3  ASN  78           HB3      ASN  78  -8.275   5.089   3.522
  576   HD21  ASN  78          HD22      ASN  78  -7.146   6.408   5.131
  577   HD22  ASN  78          HD21      ASN  78  -8.026   6.948   6.551
  578    H    SER  79           H        SER  79 -11.886   2.903   2.535
  579    HA   SER  79           HA       SER  79 -12.308   5.232   0.952
  580    HB2  SER  79           HB2      SER  79 -14.287   3.885   0.116
  581    HB3  SER  79           HB3      SER  79 -12.705   3.104  -0.014
  582    HG   SER  79           HG       SER  79 -14.552   1.842   0.905
  583    H    LEU  80           H        LEU  80 -14.305   3.912   3.616
  584    HA   LEU  80           HA       LEU  80 -16.414   5.805   3.382
  585    HB2  LEU  80           HB2      LEU  80 -16.439   3.647   4.722
  586    HB3  LEU  80           HB3      LEU  80 -15.403   4.434   5.917
  587    HG   LEU  80           HG       LEU  80 -17.228   6.181   6.209
  588   HD11  LEU  80          HD11      LEU  80 -18.490   5.881   4.137
  589   HD12  LEU  80          HD12      LEU  80 -18.855   4.192   4.572
  590   HD13  LEU  80          HD13      LEU  80 -19.536   5.535   5.515
  591   HD21  LEU  80          HD21      LEU  80 -16.917   4.466   7.867
  592   HD22  LEU  80          HD22      LEU  80 -18.647   4.697   7.625
  593   HD23  LEU  80          HD23      LEU  80 -17.842   3.289   6.898
  594    H    ASP  81           H        ASP  81 -13.343   6.023   5.073
  595    HA   ASP  81           HA       ASP  81 -13.774   8.242   6.723
  596    HB2  ASP  81           HB2      ASP  81 -11.869   6.583   6.652
  597    HB3  ASP  81           HB3      ASP  81 -11.219   7.449   5.251
  598    H    HIS  82           H        HIS  82 -13.139   8.202   3.289
  599    HA   HIS  82           HA       HIS  82 -12.398  10.967   2.923
  600    HB2  HIS  82           HB2      HIS  82 -12.010   9.051   1.339
  601    HB3  HIS  82           HB3      HIS  82 -13.741   8.997   1.024
  602    HD1  HIS  82           HD1      HIS  82 -10.693  11.276   0.377
  603    HD2  HIS  82           HD2      HIS  82 -14.723  10.752  -0.718
  604    HE1  HIS  82           HE1      HIS  82 -11.098  12.827  -1.603
  605    H    GLU  83           H        GLU  83 -15.467   9.474   3.664
  606    HA   GLU  83           HA       GLU  83 -17.109  11.687   2.691
  607    HB2  GLU  83           HB2      GLU  83 -17.827   9.425   4.599
  608    HB3  GLU  83           HB3      GLU  83 -18.947  10.533   3.840
  609    HG2  GLU  83           HG2      GLU  83 -17.226   8.499   2.355
  610    HG3  GLU  83           HG3      GLU  83 -18.935   8.345   2.729
  611    H    TYR  84           H        TYR  84 -15.140  11.159   5.490
  612    HA   TYR  84           HA       TYR  84 -16.803  13.019   7.144
  613    HB2  TYR  84           HB2      TYR  84 -14.917  10.853   8.092
  614    HB3  TYR  84           HB3      TYR  84 -15.983  11.857   9.067
  615    HD1  TYR  84           HD2      TYR  84 -18.555  11.660   7.452
  616    HD2  TYR  84           HD1      TYR  84 -15.635   8.700   8.623
  617    HE1  TYR  84           HE2      TYR  84 -20.283   9.888   7.270
  618    HE2  TYR  84           HE1      TYR  84 -17.372   6.937   8.491
  619    HH   TYR  84           HH       TYR  84 -19.522   6.442   7.873
  620    H    GLN  85           H        GLN  85 -13.296  12.057   7.259
  621    HA   GLN  85           HA       GLN  85 -13.148  14.534   8.903
  622    HB2  GLN  85           HB2      GLN  85 -12.140  13.207  10.618
  623    HB3  GLN  85           HB3      GLN  85 -13.672  12.505  10.114
  624    HG2  GLN  85           HG2      GLN  85 -12.499  10.772   8.825
  625    HG3  GLN  85           HG3      GLN  85 -10.936  11.445   9.268
  626   HE21  GLN  85          HE22      GLN  85 -12.237   8.744   9.886
  627   HE22  GLN  85          HE21      GLN  85 -12.219   8.662  11.673
  628    HA   PRO  86           HA       PRO  86  -8.920  15.427   7.598
  629    HB2  PRO  86           HB2      PRO  86  -8.548  16.347  10.441
  630    HB3  PRO  86           HB3      PRO  86  -8.180  17.210   8.918
  631    HG2  PRO  86           HG2      PRO  86 -10.366  17.868  10.384
  632    HG3  PRO  86           HG3      PRO  86 -10.477  17.770   8.595
  633    HD2  PRO  86           HD2      PRO  86 -11.273  15.676  10.641
  634    HD3  PRO  86           HD3      PRO  86 -12.184  16.296   9.226
  635    H    ARG  87           H        ARG  87  -9.720  13.338  10.249
  636    HA   ARG  87           HA       ARG  87  -8.878  11.462  11.057
  637    HB2  ARG  87           HB2      ARG  87  -8.413  11.147   8.626
  638    HB3  ARG  87           HB3      ARG  87  -6.750  11.639   8.896
  639    HG2  ARG  87           HG2      ARG  87  -6.700   9.292   8.909
  640    HG3  ARG  87           HG3      ARG  87  -6.562   9.743  10.614
  641    HD2  ARG  87           HD2      ARG  87  -9.006   9.276  10.904
  642    HD3  ARG  87           HD3      ARG  87  -9.112   8.924   9.185
  643    HE   ARG  87           HE       ARG  87  -7.222   7.363  10.906
  644   HH11  ARG  87          HH11      ARG  87 -10.082   7.269   8.824
  645   HH12  ARG  87          HH12      ARG  87  -9.732   5.658   8.261
  646   HH21  ARG  87          HH21      ARG  87  -7.022   5.179  10.425
  647   HH22  ARG  87          HH22      ARG  87  -8.191   4.411   9.387
  648    HA   PRO  88           HA       PRO  88  -5.637  13.413  13.708
  649    HB2  PRO  88           HB2      PRO  88  -6.760  13.038  16.130
  650    HB3  PRO  88           HB3      PRO  88  -7.314  14.323  15.015
  651    HG2  PRO  88           HG2      PRO  88  -8.539  11.574  15.399
  652    HG3  PRO  88           HG3      PRO  88  -9.360  13.165  15.430
  653    HD2  PRO  88           HD2      PRO  88  -9.273  11.606  13.188
  654    HD3  PRO  88           HD3      PRO  88  -9.195  13.390  13.083
  655    H    VAL  89           H        VAL  89  -4.174  11.813  13.079
  656    HA   VAL  89           HA       VAL  89  -4.404   9.061  13.462
  657    HB   VAL  89           HB       VAL  89  -1.995  10.860  13.117
  658   HG11  VAL  89          HG11      VAL  89  -1.017   8.970  14.275
  659   HG12  VAL  89          HG12      VAL  89  -1.911   7.822  13.257
  660   HG13  VAL  89          HG13      VAL  89  -0.633   8.835  12.561
  661   HG21  VAL  89          HG21      VAL  89  -1.990   9.858  10.859
  662   HG22  VAL  89          HG22      VAL  89  -3.363   8.818  11.303
  663   HG23  VAL  89          HG23      VAL  89  -3.560  10.577  11.216
  664    H    GLU  90           H        GLU  90  -3.004  11.402  15.786
  665    HA   GLU  90           HA       GLU  90  -1.990   9.379  17.582
  666    HB2  GLU  90           HB2      GLU  90  -2.810  12.261  18.155
  667    HB3  GLU  90           HB3      GLU  90  -1.874  11.240  19.245
  668    HG2  GLU  90           HG2      GLU  90  -0.988  12.142  16.474
  669    HG3  GLU  90           HG3      GLU  90  -0.487  12.855  18.002
  670    H    VAL  91           H        VAL  91  -5.095  11.147  17.494
  671    HA   VAL  91           HA       VAL  91  -6.106   9.997  19.962
  672    HB   VAL  91           HB       VAL  91  -7.557  11.292  17.628
  673   HG11  VAL  91          HG11      VAL  91  -8.607  10.637  20.415
  674   HG12  VAL  91          HG12      VAL  91  -9.434  11.678  19.238
  675   HG13  VAL  91          HG13      VAL  91  -9.196   9.972  18.873
  676   HG21  VAL  91          HG21      VAL  91  -7.632  13.291  19.101
  677   HG22  VAL  91          HG22      VAL  91  -6.680  12.423  20.324
  678   HG23  VAL  91          HG23      VAL  91  -5.968  12.822  18.743
  679    H    ILE  92           H        ILE  92  -6.321   9.073  16.527
  680    HA   ILE  92           HA       ILE  92  -8.098   6.794  16.979
  681    HB   ILE  92           HB       ILE  92  -6.452   7.841  14.661
  682   HG12  ILE  92          HG12      ILE  92  -9.453   7.483  15.176
  683   HG13  ILE  92          HG13      ILE  92  -8.574   8.962  15.511
  684   HG21  ILE  92          HG21      ILE  92  -6.369   5.420  14.364
  685   HG22  ILE  92          HG22      ILE  92  -8.113   5.287  14.649
  686   HG23  ILE  92          HG23      ILE  92  -7.495   6.119  13.206
  687   HD11  ILE  92          HD11      ILE  92  -9.053   7.768  12.786
  688   HD12  ILE  92          HD12      ILE  92  -9.714   9.261  13.456
  689   HD13  ILE  92          HD13      ILE  92  -7.974   9.163  13.112
  690    H    ILE  93           H        ILE  93  -4.494   7.015  16.719
  691    HA   ILE  93           HA       ILE  93  -4.126   4.175  17.232
  692    HB   ILE  93           HB       ILE  93  -2.358   6.629  17.574
  693   HG12  ILE  93          HG12      ILE  93  -2.267   4.279  15.613
  694   HG13  ILE  93          HG13      ILE  93  -3.005   5.826  15.259
  695   HG21  ILE  93          HG21      ILE  93  -0.440   5.067  17.937
  696   HG22  ILE  93          HG22      ILE  93  -1.586   5.017  19.259
  697   HG23  ILE  93          HG23      ILE  93  -1.588   3.716  18.049
  698   HD11  ILE  93          HD11      ILE  93  -0.818   6.955  15.624
  699   HD12  ILE  93          HD12      ILE  93  -0.050   5.355  15.781
  700   HD13  ILE  93          HD13      ILE  93  -0.825   5.812  14.266
  701    H    SER  94           H        SER  94  -4.462   6.983  19.431
  702    HA   SER  94           HA       SER  94  -3.978   5.489  21.829
  703    HB2  SER  94           HB2      SER  94  -5.725   7.960  21.469
  704    HB3  SER  94           HB3      SER  94  -5.083   7.335  22.999
  705    HG   SER  94           HG       SER  94  -3.672   8.459  20.799
  706    H    SER  95           H        SER  95  -6.967   6.142  20.010
  707    HA   SER  95           HA       SER  95  -8.810   4.785  21.735
  708    HB2  SER  95           HB2      SER  95  -8.813   5.323  18.742
  709    HB3  SER  95           HB3      SER  95 -10.193   4.644  19.629
  710    HG   SER  95           HG       SER  95  -9.002   7.212  19.916
  711    H    ALA  96           H        ALA  96  -6.945   3.623  18.859
  712    HA   ALA  96           HA       ALA  96  -7.885   0.948  18.926
  713    HB1  ALA  96           HB1      ALA  96  -6.657   2.150  17.057
  714    HB2  ALA  96           HB2      ALA  96  -5.163   1.995  18.000
  715    HB3  ALA  96           HB3      ALA  96  -6.010   0.545  17.414
  716    H    LYS  97           H        LYS  97  -5.036   2.378  20.610
  717    HA   LYS  97           HA       LYS  97  -4.263  -0.058  21.946
  718    HB2  LYS  97           HB2      LYS  97  -3.877   2.891  22.591
  719    HB3  LYS  97           HB3      LYS  97  -3.188   1.581  23.568
  720    HG2  LYS  97           HG2      LYS  97  -1.919   0.729  21.662
  721    HG3  LYS  97           HG3      LYS  97  -2.637   1.935  20.585
  722    HD2  LYS  97           HD2      LYS  97  -1.634   3.759  21.924
  723    HD3  LYS  97           HD3      LYS  97  -0.917   2.559  23.026
  724    HE2  LYS  97           HE2      LYS  97   0.345   1.579  21.103
  725    HE3  LYS  97           HE3      LYS  97  -0.344   2.810  20.030
  726    HZ1  LYS  97           HZ1      LYS  97   1.409   3.361  22.376
  727    HZ2  LYS  97           HZ2      LYS  97   1.870   3.443  20.814
  728    HZ3  LYS  97           HZ3      LYS  97   0.775   4.509  21.397
  729    H    GLU  98           H        GLU  98  -6.512   2.559  23.011
  730    HA   GLU  98           HA       GLU  98  -7.104   1.417  25.542
  731    HB2  GLU  98           HB2      GLU  98  -8.625   3.292  23.717
  732    HB3  GLU  98           HB3      GLU  98  -9.300   2.778  25.260
  733    HG2  GLU  98           HG2      GLU  98  -6.579   4.128  25.020
  734    HG3  GLU  98           HG3      GLU  98  -8.089   4.987  25.320
  735    H    MET  99           H        MET  99  -8.497   0.662  22.376
  736    HA   MET  99           HA       MET  99 -10.659  -0.986  23.370
  737    HB2  MET  99           HB2      MET  99  -9.257  -0.875  20.665
  738    HB3  MET  99           HB3      MET  99 -10.641  -1.912  21.021
  739    HG2  MET  99           HG2      MET  99 -11.988   0.072  21.653
  740    HG3  MET  99           HG3      MET  99 -10.642   1.108  21.223
  741    HE1  MET  99           HE1      MET  99 -13.709  -0.864  20.042
  742    HE2  MET  99           HE2      MET  99 -13.357  -1.253  18.348
  743    HE3  MET  99           HE3      MET  99 -12.453  -2.058  19.660
  744    H    VAL 100           H        VAL 100  -7.300  -1.690  23.416
  745    HA   VAL 100           HA       VAL 100  -7.296  -4.437  22.728
  746    HB   VAL 100           HB       VAL 100  -5.540  -2.955  24.727
  747   HG11  VAL 100          HG11      VAL 100  -3.944  -4.878  24.496
  748   HG12  VAL 100          HG12      VAL 100  -5.414  -5.332  25.355
  749   HG13  VAL 100          HG13      VAL 100  -5.205  -5.795  23.649
  750   HG21  VAL 100          HG21      VAL 100  -5.366  -2.314  22.293
  751   HG22  VAL 100          HG22      VAL 100  -3.879  -3.043  22.918
  752   HG23  VAL 100          HG23      VAL 100  -4.989  -4.001  21.914
  753    H    GLY 101           H        GLY 101  -8.086  -6.162  23.516
  754    HA2  GLY 101           HA2      GLY 101  -8.655  -7.786  25.096
  755    HA3  GLY 101           HA3      GLY 101  -8.596  -6.576  26.395
  756    H    GLN 102           H        GLN 102 -10.547  -5.179  24.004
  757    HA   GLN 102           HA       GLN 102 -12.914  -5.888  25.539
  758    HB2  GLN 102           HB2      GLN 102 -14.082  -4.259  24.501
  759    HB3  GLN 102           HB3      GLN 102 -12.469  -3.579  24.578
  760    HG2  GLN 102           HG2      GLN 102 -12.184  -3.923  22.147
  761    HG3  GLN 102           HG3      GLN 102 -13.688  -4.842  22.071
  762   HE21  GLN 102          HE22      GLN 102 -15.360  -3.617  21.178
  763   HE22  GLN 102          HE21      GLN 102 -15.563  -1.907  21.504
  764    H    LYS 103           H        LYS 103 -14.647  -7.002  24.930
  765    HA   LYS 103           HA       LYS 103 -14.412  -8.863  22.605
  766    HB2  LYS 103           HB2      LYS 103 -15.539  -9.339  25.396
  767    HB3  LYS 103           HB3      LYS 103 -15.732 -10.466  24.046
  768    HG2  LYS 103           HG2      LYS 103 -13.305 -10.758  23.865
  769    HG3  LYS 103           HG3      LYS 103 -13.031  -9.551  25.128
  770    HD2  LYS 103           HD2      LYS 103 -12.755 -11.712  26.098
  771    HD3  LYS 103           HD3      LYS 103 -14.228 -10.993  26.764
  772    HE2  LYS 103           HE2      LYS 103 -15.611 -12.349  25.212
  773    HE3  LYS 103           HE3      LYS 103 -14.141 -13.026  24.482
  774    HZ1  LYS 103           HZ1      LYS 103 -15.079 -14.523  26.154
  775    HZ2  LYS 103           HZ2      LYS 103 -13.604 -14.016  26.639
  776    HZ3  LYS 103           HZ3      LYS 103 -14.952 -13.390  27.323
  777    H    MET 104           H        MET 104 -16.261  -9.439  21.468
  778    HA   MET 104           HA       MET 104 -18.744  -7.814  21.832
  779    HB2  MET 104           HB2      MET 104 -16.938  -7.733  19.371
  780    HB3  MET 104           HB3      MET 104 -18.585  -7.100  19.410
  781    HG2  MET 104           HG2      MET 104 -18.005  -5.540  21.212
  782    HG3  MET 104           HG3      MET 104 -16.342  -6.115  21.214
  783    HE1  MET 104           HE1      MET 104 -14.716  -4.757  18.102
  784    HE2  MET 104           HE2      MET 104 -14.654  -5.862  19.484
  785    HE3  MET 104           HE3      MET 104 -15.567  -6.306  18.023
  786    H    LYS 105           H        LYS 105 -20.521  -8.488  20.523
  787    HA   LYS 105           HA       LYS 105 -20.404 -11.186  19.258
  788    HB2  LYS 105           HB2      LYS 105 -20.526 -11.742  21.586
  789    HB3  LYS 105           HB3      LYS 105 -21.701 -10.475  21.911
  790    HG2  LYS 105           HG2      LYS 105 -22.793 -12.585  22.077
  791    HG3  LYS 105           HG3      LYS 105 -23.442 -11.705  20.715
  792    HD2  LYS 105           HD2      LYS 105 -23.313 -13.834  19.877
  793    HD3  LYS 105           HD3      LYS 105 -21.788 -13.182  19.273
  794    HE2  LYS 105           HE2      LYS 105 -20.568 -14.271  21.140
  795    HE3  LYS 105           HE3      LYS 105 -22.095 -14.776  21.869
  796    HZ1  LYS 105           HZ1      LYS 105 -21.108 -15.710  19.222
  797    HZ2  LYS 105           HZ2      LYS 105 -21.127 -16.608  20.601
  798    HZ3  LYS 105           HZ3      LYS 105 -22.528 -16.153  19.904
  799    H    TYR 106           H        TYR 106 -22.342  -8.305  20.066
  800    HA   TYR 106           HA       TYR 106 -24.729  -9.184  18.788
  801    HB2  TYR 106           HB2      TYR 106 -23.850  -6.354  19.463
  802    HB3  TYR 106           HB3      TYR 106 -25.498  -6.886  19.164
  803    HD1  TYR 106           HD2      TYR 106 -26.403  -8.834  20.707
  804    HD2  TYR 106           HD1      TYR 106 -23.055  -6.300  21.697
  805    HE1  TYR 106           HE2      TYR 106 -26.677  -9.412  23.109
  806    HE2  TYR 106           HE1      TYR 106 -23.320  -6.879  24.097
  807    HH   TYR 106           HH       TYR 106 -25.892  -9.108  25.241
  808    H    SER 107           H        SER 107 -25.871  -8.280  17.035
  809    HA   SER 107           HA       SER 107 -26.294  -7.550  14.932
  810    HB2  SER 107           HB2      SER 107 -24.765  -5.601  15.597
  811    HB3  SER 107           HB3      SER 107 -23.512  -6.392  14.621
  812    HG   SER 107           HG       SER 107 -25.030  -4.784  13.579
  813    H    ILE 108           H        ILE 108 -25.121  -7.600  12.572
  814    HA   ILE 108           HA       ILE 108 -24.556 -10.462  12.060
  815    HB   ILE 108           HB       ILE 108 -24.649  -8.107  10.121
  816   HG12  ILE 108          HG12      ILE 108 -26.835  -8.243  11.132
  817   HG13  ILE 108          HG13      ILE 108 -26.908  -8.844   9.489
  818   HG21  ILE 108          HG21      ILE 108 -24.723 -11.121   9.623
  819   HG22  ILE 108          HG22      ILE 108 -25.049  -9.878   8.396
  820   HG23  ILE 108          HG23      ILE 108 -23.456  -9.979   9.136
  821   HD11  ILE 108          HD11      ILE 108 -26.891 -10.568  12.009
  822   HD12  ILE 108          HD12      ILE 108 -28.286 -10.208  10.977
  823   HD13  ILE 108          HD13      ILE 108 -26.960 -11.193  10.343
  824    H    VAL 109           H        VAL 109 -22.520 -11.283  11.454
  825    HA   VAL 109           HA       VAL 109 -20.340 -10.113  12.662
  826    HB   VAL 109           HB       VAL 109 -20.570 -12.492  12.101
  827   HG11  VAL 109          HG11      VAL 109 -21.153 -12.306   9.682
  828   HG12  VAL 109          HG12      VAL 109 -19.485 -11.795   9.337
  829   HG13  VAL 109          HG13      VAL 109 -19.803 -13.413   9.982
  830   HG21  VAL 109          HG21      VAL 109 -17.873 -11.362  11.250
  831   HG22  VAL 109          HG22      VAL 109 -18.433 -11.535  12.930
  832   HG23  VAL 109          HG23      VAL 109 -18.207 -12.971  11.915
  833    H    SER 110           H        SER 110 -21.241  -9.587   9.252
  834    HA   SER 110           HA       SER 110 -18.815  -8.262   8.424
  835    HB2  SER 110           HB2      SER 110 -20.325  -7.302   6.656
  836    HB3  SER 110           HB3      SER 110 -20.340  -9.071   6.768
  837    HG   SER 110           HG       SER 110 -22.459  -8.171   6.595
  838    H    ARG 111           H        ARG 111 -21.919  -6.983   9.755
  839    HA   ARG 111           HA       ARG 111 -20.906  -4.284   9.940
  840    HB2  ARG 111           HB2      ARG 111 -23.345  -4.801   9.853
  841    HB3  ARG 111           HB3      ARG 111 -23.228  -5.519  11.459
  842    HG2  ARG 111           HG2      ARG 111 -24.088  -3.277  11.676
  843    HG3  ARG 111           HG3      ARG 111 -22.468  -3.280  12.370
  844    HD2  ARG 111           HD2      ARG 111 -21.566  -2.203  10.351
  845    HD3  ARG 111           HD3      ARG 111 -23.168  -2.262   9.588
  846    HE   ARG 111           HE       ARG 111 -23.545  -0.979  12.037
  847   HH11  ARG 111          HH11      ARG 111 -21.690  -0.254   9.087
  848   HH12  ARG 111          HH12      ARG 111 -21.828   1.466   9.341
  849   HH21  ARG 111          HH21      ARG 111 -23.672   1.241  12.283
  850   HH22  ARG 111          HH22      ARG 111 -22.921   2.297  11.125
  851    H    ASN 112           H        ASN 112 -20.913  -7.028  12.230
  852    HA   ASN 112           HA       ASN 112 -19.998  -5.640  14.523
  853    HB2  ASN 112           HB2      ASN 112 -20.718  -8.058  14.357
  854    HB3  ASN 112           HB3      ASN 112 -19.136  -8.436  13.667
  855   HD21  ASN 112          HD22      ASN 112 -20.893  -7.624  16.615
  856   HD22  ASN 112          HD21      ASN 112 -19.506  -7.797  17.681
  857    H    CYS 113           H        CYS 113 -17.990  -7.067  11.900
  858    HA   CYS 113           HA       CYS 113 -15.467  -6.008  12.740
  859    HB2  CYS 113           HB2      CYS 113 -16.605  -6.943  10.055
  860    HB3  CYS 113           HB3      CYS 113 -14.905  -6.531  10.315
  861    HG   CYS 113           HG       CYS 113 -15.254  -9.168  10.348
  862    H    GLU 114           H        GLU 114 -17.778  -4.696  10.282
  863    HA   GLU 114           HA       GLU 114 -16.260  -2.389   9.638
  864    HB2  GLU 114           HB2      GLU 114 -18.149  -3.331   8.337
  865    HB3  GLU 114           HB3      GLU 114 -19.274  -2.806   9.595
  866    HG2  GLU 114           HG2      GLU 114 -18.660  -0.435   9.138
  867    HG3  GLU 114           HG3      GLU 114 -17.543  -0.985   7.876
  868    H    HIS 115           H        HIS 115 -18.798  -2.807  12.136
  869    HA   HIS 115           HA       HIS 115 -18.837  -0.129  13.094
  870    HB2  HIS 115           HB2      HIS 115 -20.582  -1.867  13.404
  871    HB3  HIS 115           HB3      HIS 115 -19.525  -2.714  14.537
  872    HD1  HIS 115           HD1      HIS 115 -20.510   1.092  14.422
  873    HD2  HIS 115           HD2      HIS 115 -20.764  -2.382  16.798
  874    HE1  HIS 115           HE1      HIS 115 -21.602   1.797  16.601
  875    H    PHE 116           H        PHE 116 -16.946  -3.039  14.142
  876    HA   PHE 116           HA       PHE 116 -15.346  -1.875  16.150
  877    HB2  PHE 116           HB2      PHE 116 -15.192  -4.166  16.003
  878    HB3  PHE 116           HB3      PHE 116 -15.096  -4.203  14.274
  879    HD1  PHE 116           HD2      PHE 116 -13.088  -3.246  17.283
  880    HD2  PHE 116           HD1      PHE 116 -13.010  -4.407  13.128
  881    HE1  PHE 116           HE2      PHE 116 -10.616  -3.407  17.369
  882    HE2  PHE 116           HE1      PHE 116 -10.535  -4.564  13.228
  883    HZ   PHE 116           HZ       PHE 116  -9.334  -4.079  15.350
  884    H    VAL 117           H        VAL 117 -14.535  -2.054  12.591
  885    HA   VAL 117           HA       VAL 117 -12.267  -0.314  13.062
  886    HB   VAL 117           HB       VAL 117 -12.133   0.097  10.636
  887   HG11  VAL 117          HG11      VAL 117 -10.820  -1.625  11.730
  888   HG12  VAL 117          HG12      VAL 117 -12.165  -2.786  11.572
  889   HG13  VAL 117          HG13      VAL 117 -11.340  -2.159  10.135
  890   HG21  VAL 117          HG21      VAL 117 -14.278  -1.997  10.325
  891   HG22  VAL 117          HG22      VAL 117 -14.517  -0.256  10.022
  892   HG23  VAL 117          HG23      VAL 117 -13.373  -1.193   9.045
  893    H    THR 118           H        THR 118 -15.595   0.529  12.771
  894    HA   THR 118           HA       THR 118 -15.026   3.384  12.250
  895    HB   THR 118           HB       THR 118 -17.587   2.365  13.453
  896    HG1  THR 118           HG1      THR 118 -17.158   1.176  11.485
  897   HG21  THR 118          HG21      THR 118 -16.948   4.668  11.558
  898   HG22  THR 118          HG22      THR 118 -18.527   4.273  12.269
  899   HG23  THR 118          HG23      THR 118 -17.207   4.827  13.315
  900    H    GLN 119           H        GLN 119 -15.832   1.424  15.200
  901    HA   GLN 119           HA       GLN 119 -15.337   3.418  17.123
  902    HB2  GLN 119           HB2      GLN 119 -15.168   0.402  17.054
  903    HB3  GLN 119           HB3      GLN 119 -14.368   1.249  18.370
  904    HG2  GLN 119           HG2      GLN 119 -16.470   0.718  19.176
  905    HG3  GLN 119           HG3      GLN 119 -16.498   2.458  18.879
  906   HE21  GLN 119          HE22      GLN 119 -17.971  -0.621  18.146
  907   HE22  GLN 119          HE21      GLN 119 -19.251   0.065  17.153
  908    H    LEU 120           H        LEU 120 -12.882   1.464  15.349
  909    HA   LEU 120           HA       LEU 120 -10.626   2.549  16.752
  910    HB2  LEU 120           HB2      LEU 120 -10.963   1.407  13.947
  911    HB3  LEU 120           HB3      LEU 120  -9.406   1.892  14.595
  912    HG   LEU 120           HG       LEU 120 -11.155  -0.214  15.940
  913   HD11  LEU 120          HD11      LEU 120  -9.268  -0.393  13.613
  914   HD12  LEU 120          HD12      LEU 120  -9.141  -1.657  14.848
  915   HD13  LEU 120          HD13      LEU 120 -10.680  -1.380  14.027
  916   HD21  LEU 120          HD21      LEU 120  -8.188   0.400  16.201
  917   HD22  LEU 120          HD22      LEU 120  -9.434   0.868  17.377
  918   HD23  LEU 120          HD23      LEU 120  -9.094  -0.843  17.086
  919    H    ARG 121           H        ARG 121 -11.952   3.558  13.552
  920    HA   ARG 121           HA       ARG 121 -10.323   5.976  13.592
  921    HB2  ARG 121           HB2      ARG 121 -11.013   6.340  11.349
  922    HB3  ARG 121           HB3      ARG 121 -10.711   4.616  11.551
  923    HG2  ARG 121           HG2      ARG 121 -13.289   4.492  12.021
  924    HG3  ARG 121           HG3      ARG 121 -13.368   6.070  11.257
  925    HD2  ARG 121           HD2      ARG 121 -12.548   5.194   9.162
  926    HD3  ARG 121           HD3      ARG 121 -12.071   3.666   9.936
  927    HE   ARG 121           HE       ARG 121 -14.932   4.344  10.084
  928   HH11  ARG 121          HH21      ARG 121 -12.616   2.751   7.966
  929   HH12  ARG 121          HH22      ARG 121 -13.741   1.512   7.500
  930   HH21  ARG 121          HH11      ARG 121 -16.304   2.583   9.594
  931   HH22  ARG 121          HH12      ARG 121 -15.822   1.482   8.344
  932    H    TYR 122           H        TYR 122 -12.882   5.503  15.388
  933    HA   TYR 122           HA       TYR 122 -14.922   7.168  14.794
  934    HB2  TYR 122           HB2      TYR 122 -14.596   5.433  16.642
  935    HB3  TYR 122           HB3      TYR 122 -13.918   6.706  17.622
  936    HD1  TYR 122           HD2      TYR 122 -16.953   5.487  15.842
  937    HD2  TYR 122           HD1      TYR 122 -15.402   8.281  18.737
  938    HE1  TYR 122           HE2      TYR 122 -19.272   6.040  16.543
  939    HE2  TYR 122           HE1      TYR 122 -17.718   8.831  19.453
  940    HH   TYR 122           HH       TYR 122 -19.957   8.426  19.133
  941    H    GLY 123           H        GLY 123 -11.826   8.107  15.941
  942    HA2  GLY 123           HA2      GLY 123 -12.012  10.137  17.717
  943    HA3  GLY 123           HA3      GLY 123 -10.747  10.099  16.491
  944    H    LYS 124           H        LYS 124 -12.360  10.790  14.176
  945    HA   LYS 124           HA       LYS 124 -13.775  13.289  14.937
  946    HB2  LYS 124           HB2      LYS 124 -11.343  13.725  14.500
  947    HB3  LYS 124           HB3      LYS 124 -11.536  13.153  12.860
  948    HG2  LYS 124           HG2      LYS 124 -11.441  15.593  13.030
  949    HG3  LYS 124           HG3      LYS 124 -12.976  15.088  12.340
  950    HD2  LYS 124           HD2      LYS 124 -14.111  15.485  14.496
  951    HD3  LYS 124           HD3      LYS 124 -12.548  15.852  15.267
  952    HE2  LYS 124           HE2      LYS 124 -12.254  17.777  13.703
  953    HE3  LYS 124           HE3      LYS 124 -13.812  17.403  12.952
  954    HZ1  LYS 124           HZ1      LYS 124 -14.028  19.156  14.611
  955    HZ2  LYS 124           HZ2      LYS 124 -14.872  17.846  15.109
  956    HZ3  LYS 124           HZ3      LYS 124 -13.429  18.196  15.792
  957    H    SER 125           H        SER 125 -14.270  10.473  13.565
  958    HA   SER 125           HA       SER 125 -15.519  10.977  11.020
  959    HB2  SER 125           HB2      SER 125 -16.540   8.800  11.306
  960    HB3  SER 125           HB3      SER 125 -14.824   8.712  11.793
  961    HG   SER 125           HG       SER 125 -16.741   9.521  13.622