*HEADER    OXIDOREDUCTASE                          26-JUL-10   2L18              
*TITLE     AN ARSENATE REDUCTASE IN THE PHOSPHATE BINDING STATE                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ARSENATE REDUCTASE;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SYNARSC;                                                    
*COMPND   5 EC: 1.20.4.1;                                                        
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS;                                  
*SOURCE   3 ORGANISM_TAXID: 1148;                                                
*SOURCE   4 STRAIN: PCC 6803;                                                    
*SOURCE   5 GENE: ARSC, SLR0946;                                                 
*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: PET28A(+)                                  
*KEYWDS    ALPHA/BETA SANDWICH, OXIDOREDUCTASE                                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    C.YU, B.XIA, C.JIN                                                    
*REVDAT   1   13-APR-11 2L18    0                                                


# 2001 atoms read from pdb file prm1.pdb.
# 15 SER PHI:  (14 ARG C)-(15 SER N)-(15 SER CA)-(15 SER C) -93.3 -33.3
 &rst     iat =   248,   250,   252,   259,
   r1 = -94.3, r2 = -93.3, r3 = -33.3, r4 = -32.3,
   rk2 =   50.0, rk3 =   50.0,    &end

# 15 SER PSI:  (15 SER N)-(15 SER CA)-(15 SER C)-(16 GLN N) -74.1 -14.1
 &rst     iat =   250,   252,   259,   261,
   r1 = -75.1, r2 = -74.1, r3 = -14.1, r4 = -13.1,
 &end

# 16 GLN PHI:  (15 SER C)-(16 GLN N)-(16 GLN CA)-(16 GLN C) -94.6 -34.6
 &rst     iat =   259,   261,   263,   276,
   r1 = -95.6, r2 = -94.6, r3 = -34.6, r4 = -33.6,
 &end

# 16 GLN PSI:  (16 GLN N)-(16 GLN CA)-(16 GLN C)-(17 MET N) -69.2  -9.1
 &rst     iat =   261,   263,   276,   278,
   r1 = -70.2, r2 = -69.2, r3 =  -9.1, r4 =  -8.1,
 &end

# 17 MET PHI:  (16 GLN C)-(17 MET N)-(17 MET CA)-(17 MET C) -99.0 -39.0
 &rst     iat =   276,   278,   280,   293,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end

# 17 MET PSI:  (17 MET N)-(17 MET CA)-(17 MET C)-(18 ALA N) -66.5  -6.5
 &rst     iat =   278,   280,   293,   295,
   r1 = -67.5, r2 = -66.5, r3 =  -6.5, r4 =  -5.5,
 &end

# 19 GLU PHI:  (18 ALA C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) -93.7 -33.7
 &rst     iat =   303,   305,   307,   318,
   r1 = -94.7, r2 = -93.7, r3 = -33.7, r4 = -32.7,
 &end

# 19 GLU PSI:  (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 GLY N) -69.9  -9.9
 &rst     iat =   305,   307,   318,   320,
   r1 = -70.9, r2 = -69.9, r3 =  -9.9, r4 =  -8.9,
 &end

# 20 GLY PHI:  (19 GLU C)-(20 GLY N)-(20 GLY CA)-(20 GLY C) -95.8 -35.8
 &rst     iat =   318,   320,   322,   325,
   r1 = -96.8, r2 = -95.8, r3 = -35.8, r4 = -34.8,
 &end

# 20 GLY PSI:  (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 PHE N) -67.9  -7.9
 &rst     iat =   320,   322,   325,   327,
   r1 = -68.9, r2 = -67.9, r3 =  -7.9, r4 =  -6.9,
 &end

# 21 PHE PHI:  (20 GLY C)-(21 PHE N)-(21 PHE CA)-(21 PHE C) -94.7 -34.7
 &rst     iat =   325,   327,   329,   345,
   r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7,
 &end

# 21 PHE PSI:  (21 PHE N)-(21 PHE CA)-(21 PHE C)-(22 ALA N) -72.6 -12.6
 &rst     iat =   327,   329,   345,   347,
   r1 = -73.6, r2 = -72.6, r3 = -12.6, r4 = -11.6,
 &end

# 22 ALA PHI:  (21 PHE C)-(22 ALA N)-(22 ALA CA)-(22 ALA C) -98.7 -38.7
 &rst     iat =   345,   347,   349,   355,
   r1 = -99.7, r2 = -98.7, r3 = -38.7, r4 = -37.7,
 &end

# 22 ALA PSI:  (22 ALA N)-(22 ALA CA)-(22 ALA C)-(23 LYS N) -69.6  -9.6
 &rst     iat =   347,   349,   355,   357,
   r1 = -70.6, r2 = -69.6, r3 =  -9.6, r4 =  -8.6,
 &end

# 30 ILE PHI:  (29 LYS C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -163.5 -103.5
 &rst     iat =   456,   458,   460,   475,
   r1 = -164.5, r2 = -163.5, r3 = -103.5, r4 = -102.5,
 &end

# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 ALA N) 112.2 172.2
 &rst     iat =   458,   460,   475,   477,
   r1 = 111.2, r2 = 112.2, r3 = 172.2, r4 = 173.2,
 &end

# 31 ALA PHI:  (30 ILE C)-(31 ALA N)-(31 ALA CA)-(31 ALA C) -145.0 -85.0
 &rst     iat =   475,   477,   479,   485,
   r1 = -146.0, r2 = -145.0, r3 = -85.0, r4 = -84.0,
 &end

# 31 ALA PSI:  (31 ALA N)-(31 ALA CA)-(31 ALA C)-(32 VAL N)  99.0 159.0
 &rst     iat =   477,   479,   485,   487,
   r1 =  98.0, r2 =  99.0, r3 = 159.0, r4 = 160.0,
 &end

# 32 VAL PHI:  (31 ALA C)-(32 VAL N)-(32 VAL CA)-(32 VAL C) -148.3 -88.3
 &rst     iat =   485,   487,   489,   501,
   r1 = -149.3, r2 = -148.3, r3 = -88.3, r4 = -87.3,
 &end

# 32 VAL PSI:  (32 VAL N)-(32 VAL CA)-(32 VAL C)-(33 THR N) 105.2 165.2
 &rst     iat =   487,   489,   501,   503,
   r1 = 104.2, r2 = 105.2, r3 = 165.2, r4 = 166.2,
 &end

# 33 THR PHI:  (32 VAL C)-(33 THR N)-(33 THR CA)-(33 THR C) -156.7 -96.7
 &rst     iat =   501,   503,   505,   515,
   r1 = -157.7, r2 = -156.7, r3 = -96.7, r4 = -95.7,
 &end

# 33 THR PSI:  (33 THR N)-(33 THR CA)-(33 THR C)-(34 SER N) 109.5 169.5
 &rst     iat =   503,   505,   515,   517,
   r1 = 108.5, r2 = 109.5, r3 = 169.5, r4 = 170.5,
 &end

# 34 SER PHI:  (33 THR C)-(34 SER N)-(34 SER CA)-(34 SER C) -149.3 -89.3
 &rst     iat =   515,   517,   519,   526,
   r1 = -150.3, r2 = -149.3, r3 = -89.3, r4 = -88.3,
 &end

# 34 SER PSI:  (34 SER N)-(34 SER CA)-(34 SER C)-(35 CYS N) 117.3 177.3
 &rst     iat =   517,   519,   526,   528,
   r1 = 116.3, r2 = 117.3, r3 = 177.3, r4 = 178.3,
 &end

# 45 THR PHI:  (44 PRO C)-(45 THR N)-(45 THR CA)-(45 THR C) -98.3 -38.3
 &rst     iat =   671,   673,   675,   685,
   r1 = -99.3, r2 = -98.3, r3 = -38.3, r4 = -37.3,
 &end

# 45 THR PSI:  (45 THR N)-(45 THR CA)-(45 THR C)-(46 ALA N) -70.2 -10.2
 &rst     iat =   673,   675,   685,   687,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end

# 46 ALA PHI:  (45 THR C)-(46 ALA N)-(46 ALA CA)-(46 ALA C) -95.3 -35.3
 &rst     iat =   685,   687,   689,   695,
   r1 = -96.3, r2 = -95.3, r3 = -35.3, r4 = -34.3,
 &end

# 46 ALA PSI:  (46 ALA N)-(46 ALA CA)-(46 ALA C)-(47 ILE N) -69.0  -9.0
 &rst     iat =   687,   689,   695,   697,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 47 ILE PHI:  (46 ALA C)-(47 ILE N)-(47 ILE CA)-(47 ILE C) -96.5 -36.5
 &rst     iat =   695,   697,   699,   714,
   r1 = -97.5, r2 = -96.5, r3 = -36.5, r4 = -35.5,
 &end

# 47 ILE PSI:  (47 ILE N)-(47 ILE CA)-(47 ILE C)-(48 ALA N) -66.6  -6.6
 &rst     iat =   697,   699,   714,   716,
   r1 = -67.6, r2 = -66.6, r3 =  -6.6, r4 =  -5.6,
 &end

# 48 ALA PHI:  (47 ILE C)-(48 ALA N)-(48 ALA CA)-(48 ALA C) -94.1 -34.1
 &rst     iat =   714,   716,   718,   724,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 48 ALA PSI:  (48 ALA N)-(48 ALA CA)-(48 ALA C)-(49 MET N) -66.1  -6.1
 &rst     iat =   716,   718,   724,   726,
   r1 = -67.1, r2 = -66.1, r3 =  -6.1, r4 =  -5.1,
 &end

# 51 GLU PHI:  (50 MET C)-(51 GLU N)-(51 GLU CA)-(51 GLU C) -95.7 -35.7
 &rst     iat =   758,   760,   762,   773,
   r1 = -96.7, r2 = -95.7, r3 = -35.7, r4 = -34.7,
 &end

# 51 GLU PSI:  (51 GLU N)-(51 GLU CA)-(51 GLU C)-(52 GLU N) -72.2 -12.2
 &rst     iat =   760,   762,   773,   775,
   r1 = -73.2, r2 = -72.2, r3 = -12.2, r4 = -11.2,
 &end

# 52 GLU PHI:  (51 GLU C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -98.3 -38.3
 &rst     iat =   773,   775,   777,   788,
   r1 = -99.3, r2 = -98.3, r3 = -38.3, r4 = -37.3,
 &end

# 52 GLU PSI:  (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 VAL N) -57.2   2.8
 &rst     iat =   775,   777,   788,   790,
   r1 = -58.2, r2 = -57.2, r3 =   2.8, r4 =   3.8,
 &end

# 53 VAL PHI:  (52 GLU C)-(53 VAL N)-(53 VAL CA)-(53 VAL C) -134.3 -74.3
 &rst     iat =   788,   790,   792,   804,
   r1 = -135.3, r2 = -134.3, r3 = -74.3, r4 = -73.3,
 &end

# 53 VAL PSI:  (53 VAL N)-(53 VAL CA)-(53 VAL C)-(54 GLY N) -25.3  34.7
 &rst     iat =   790,   792,   804,   806,
   r1 = -26.3, r2 = -25.3, r3 =  34.7, r4 =  35.7,
 &end

# 75 VAL PHI:  (74 ASP C)-(75 VAL N)-(75 VAL CA)-(75 VAL C) -151.6 -91.6
 &rst     iat =  1096,  1098,  1100,  1112,
   r1 = -152.6, r2 = -151.6, r3 = -91.6, r4 = -90.6,
 &end

# 75 VAL PSI:  (75 VAL N)-(75 VAL CA)-(75 VAL C)-(76 VAL N)  96.4 156.4
 &rst     iat =  1098,  1100,  1112,  1114,
   r1 =  95.4, r2 =  96.4, r3 = 156.4, r4 = 157.4,
 &end

# 76 VAL PHI:  (75 VAL C)-(76 VAL N)-(76 VAL CA)-(76 VAL C) -144.6 -84.6
 &rst     iat =  1112,  1114,  1116,  1128,
   r1 = -145.6, r2 = -144.6, r3 = -84.6, r4 = -83.6,
 &end

# 76 VAL PSI:  (76 VAL N)-(76 VAL CA)-(76 VAL C)-(77 ILE N)  96.2 156.2
 &rst     iat =  1114,  1116,  1128,  1130,
   r1 =  95.2, r2 =  96.2, r3 = 156.2, r4 = 157.2,
 &end

# 77 ILE PHI:  (76 VAL C)-(77 ILE N)-(77 ILE CA)-(77 ILE C) -133.1 -73.1
 &rst     iat =  1128,  1130,  1132,  1147,
   r1 = -134.1, r2 = -133.1, r3 = -73.1, r4 = -72.1,
 &end

# 77 ILE PSI:  (77 ILE N)-(77 ILE CA)-(77 ILE C)-(78 SER N)  94.3 154.3
 &rst     iat =  1130,  1132,  1147,  1149,
   r1 =  93.3, r2 =  94.3, r3 = 154.3, r4 = 155.3,
 &end

# 78 SER PHI:  (77 ILE C)-(78 SER N)-(78 SER CA)-(78 SER C) -134.4 -74.4
 &rst     iat =  1147,  1149,  1151,  1158,
   r1 = -135.4, r2 = -134.4, r3 = -74.4, r4 = -73.4,
 &end

# 78 SER PSI:  (78 SER N)-(78 SER CA)-(78 SER C)-(79 LEU N)  97.3 157.3
 &rst     iat =  1149,  1151,  1158,  1160,
   r1 =  96.3, r2 =  97.3, r3 = 157.3, r4 = 158.3,
 &end

# 95 ILE PHI:  (94 GLU C)-(95 ILE N)-(95 ILE CA)-(95 ILE C) -150.4 -90.4
 &rst     iat =  1391,  1393,  1395,  1410,
   r1 = -151.4, r2 = -150.4, r3 = -90.4, r4 = -89.4,
 &end

# 95 ILE PSI:  (95 ILE N)-(95 ILE CA)-(95 ILE C)-(96 PHE N) 122.7 182.7
 &rst     iat =  1393,  1395,  1410,  1412,
   r1 = 121.7, r2 = 122.7, r3 = 182.7, r4 = 183.7,
 &end

# 96 PHE PHI:  (95 ILE C)-(96 PHE N)-(96 PHE CA)-(96 PHE C) -148.9 -88.9
 &rst     iat =  1410,  1412,  1414,  1430,
   r1 = -149.9, r2 = -148.9, r3 = -88.9, r4 = -87.9,
 &end

# 96 PHE PSI:  (96 PHE N)-(96 PHE CA)-(96 PHE C)-(97 GLU N)  96.6 156.6
 &rst     iat =  1412,  1414,  1430,  1432,
   r1 =  95.6, r2 =  96.6, r3 = 156.6, r4 = 157.6,
 &end

# 97 GLU PHI:  (96 PHE C)-(97 GLU N)-(97 GLU CA)-(97 GLU C) -174.2 -114.2
 &rst     iat =  1430,  1432,  1434,  1445,
   r1 = -175.2, r2 = -174.2, r3 = -114.2, r4 = -113.2,
 &end

# 97 GLU PSI:  (97 GLU N)-(97 GLU CA)-(97 GLU C)-(98 ASP N) 119.2 179.2
 &rst     iat =  1432,  1434,  1445,  1447,
   r1 = 118.2, r2 = 119.2, r3 = 179.2, r4 = 180.2,
 &end

# 107 GLN PHI:  (106 GLY C)-(107 GLN N)-(107 GLN CA)-(107 GLN C) -126.5 -66.5
 &rst     iat =  1577,  1579,  1581,  1594,
   r1 = -127.5, r2 = -126.5, r3 = -66.5, r4 = -65.5,
 &end

# 107 GLN PSI:  (107 GLN N)-(107 GLN CA)-(107 GLN C)-(108 SER N) 127.4 187.4
 &rst     iat =  1579,  1581,  1594,  1596,
   r1 = 126.4, r2 = 127.4, r3 = 187.4, r4 = 188.4,
 &end

# 108 SER PHI:  (107 GLN C)-(108 SER N)-(108 SER CA)-(108 SER C) -122.0 -62.0
 &rst     iat =  1594,  1596,  1598,  1605,
   r1 = -123.0, r2 = -122.0, r3 = -62.0, r4 = -61.0,
 &end

# 108 SER PSI:  (108 SER N)-(108 SER CA)-(108 SER C)-(109 LEU N) 128.7 188.7
 &rst     iat =  1596,  1598,  1605,  1607,
   r1 = 127.7, r2 = 128.7, r3 = 188.7, r4 = 189.7,
 &end

# 109 LEU PHI:  (108 SER C)-(109 LEU N)-(109 LEU CA)-(109 LEU C) -92.6 -32.6
 &rst     iat =  1605,  1607,  1609,  1624,
   r1 = -93.6, r2 = -92.6, r3 = -32.6, r4 = -31.6,
 &end

# 109 LEU PSI:  (109 LEU N)-(109 LEU CA)-(109 LEU C)-(110 GLU N) -66.1  -6.1
 &rst     iat =  1607,  1609,  1624,  1626,
   r1 = -67.1, r2 = -66.1, r3 =  -6.1, r4 =  -5.1,
 &end

# 110 GLU PHI:  (109 LEU C)-(110 GLU N)-(110 GLU CA)-(110 GLU C) -93.5 -33.5
 &rst     iat =  1624,  1626,  1628,  1639,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end

# 110 GLU PSI:  (110 GLU N)-(110 GLU CA)-(110 GLU C)-(111 VAL N) -69.6  -9.6
 &rst     iat =  1626,  1628,  1639,  1641,
   r1 = -70.6, r2 = -69.6, r3 =  -9.6, r4 =  -8.6,
 &end

# 111 VAL PHI:  (110 GLU C)-(111 VAL N)-(111 VAL CA)-(111 VAL C) -96.4 -36.4
 &rst     iat =  1639,  1641,  1643,  1655,
   r1 = -97.4, r2 = -96.4, r3 = -36.4, r4 = -35.4,
 &end

# 111 VAL PSI:  (111 VAL N)-(111 VAL CA)-(111 VAL C)-(112 PHE N) -72.0 -12.0
 &rst     iat =  1641,  1643,  1655,  1657,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 112 PHE PHI:  (111 VAL C)-(112 PHE N)-(112 PHE CA)-(112 PHE C) -93.0 -33.0
 &rst     iat =  1655,  1657,  1659,  1675,
   r1 = -94.0, r2 = -93.0, r3 = -33.0, r4 = -32.0,
 &end

# 112 PHE PSI:  (112 PHE N)-(112 PHE CA)-(112 PHE C)-(113 ARG N) -74.2 -14.2
 &rst     iat =  1657,  1659,  1675,  1677,
   r1 = -75.2, r2 = -74.2, r3 = -14.2, r4 = -13.2,
 &end

# 113 ARG PHI:  (112 PHE C)-(113 ARG N)-(113 ARG CA)-(113 ARG C) -96.3 -36.3
 &rst     iat =  1675,  1677,  1679,  1699,
   r1 = -97.3, r2 = -96.3, r3 = -36.3, r4 = -35.3,
 &end

# 113 ARG PSI:  (113 ARG N)-(113 ARG CA)-(113 ARG C)-(114 THR N) -67.8  -7.8
 &rst     iat =  1677,  1679,  1699,  1701,
   r1 = -68.8, r2 = -67.8, r3 =  -7.8, r4 =  -6.8,
 &end

# 116 ARG PHI:  (115 VAL C)-(116 ARG N)-(116 ARG CA)-(116 ARG C) -94.2 -34.2
 &rst     iat =  1729,  1731,  1733,  1753,
   r1 = -95.2, r2 = -94.2, r3 = -34.2, r4 = -33.2,
 &end

# 116 ARG PSI:  (116 ARG N)-(116 ARG CA)-(116 ARG C)-(117 GLY N) -69.3  -9.3
 &rst     iat =  1731,  1733,  1753,  1755,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 117 GLY PHI:  (116 ARG C)-(117 GLY N)-(117 GLY CA)-(117 GLY C) -94.1 -34.1
 &rst     iat =  1753,  1755,  1757,  1760,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 117 GLY PSI:  (117 GLY N)-(117 GLY CA)-(117 GLY C)-(118 GLN N) -70.6 -10.6
 &rst     iat =  1755,  1757,  1760,  1762,
   r1 = -71.6, r2 = -70.6, r3 = -10.6, r4 =  -9.6,
 &end

# 118 GLN PHI:  (117 GLY C)-(118 GLN N)-(118 GLN CA)-(118 GLN C) -96.2 -36.2
 &rst     iat =  1760,  1762,  1764,  1777,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 118 GLN PSI:  (118 GLN N)-(118 GLN CA)-(118 GLN C)-(119 VAL N) -69.0  -9.0
 &rst     iat =  1762,  1764,  1777,  1779,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 119 VAL PHI:  (118 GLN C)-(119 VAL N)-(119 VAL CA)-(119 VAL C) -99.0 -39.0
 &rst     iat =  1777,  1779,  1781,  1793,
   r1 = -100.0, r2 = -99.0, r3 = -39.0, r4 = -38.0,
 &end

# 119 VAL PSI:  (119 VAL N)-(119 VAL CA)-(119 VAL C)-(120 LYS N) -69.8  -9.8
 &rst     iat =  1779,  1781,  1793,  1795,
   r1 = -70.8, r2 = -69.8, r3 =  -9.8, r4 =  -8.8,
 &end

# 120 LYS PHI:  (119 VAL C)-(120 LYS N)-(120 LYS CA)-(120 LYS C) -95.2 -35.2
 &rst     iat =  1793,  1795,  1797,  1815,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 120 LYS PSI:  (120 LYS N)-(120 LYS CA)-(120 LYS C)-(121 GLU N) -70.2 -10.2
 &rst     iat =  1795,  1797,  1815,  1817,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end

# 121 GLU PHI:  (120 LYS C)-(121 GLU N)-(121 GLU CA)-(121 GLU C) -96.5 -36.5
 &rst     iat =  1815,  1817,  1819,  1830,
   r1 = -97.5, r2 = -96.5, r3 = -36.5, r4 = -35.5,
 &end

# 121 GLU PSI:  (121 GLU N)-(121 GLU CA)-(121 GLU C)-(122 ARG N) -63.4  -3.4
 &rst     iat =  1817,  1819,  1830,  1832,
   r1 = -64.4, r2 = -63.4, r3 =  -3.4, r4 =  -2.4,
 &end

# 122 ARG PHI:  (121 GLU C)-(122 ARG N)-(122 ARG CA)-(122 ARG C) -93.5 -33.5
 &rst     iat =  1830,  1832,  1834,  1854,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end

# 122 ARG PSI:  (122 ARG N)-(122 ARG CA)-(122 ARG C)-(123 VAL N) -69.7  -9.7
 &rst     iat =  1832,  1834,  1854,  1856,
   r1 = -70.7, r2 = -69.7, r3 =  -9.7, r4 =  -8.7,
 &end

# 123 VAL PHI:  (122 ARG C)-(123 VAL N)-(123 VAL CA)-(123 VAL C) -98.1 -38.1
 &rst     iat =  1854,  1856,  1858,  1870,
   r1 = -99.1, r2 = -98.1, r3 = -38.1, r4 = -37.1,
 &end

# 123 VAL PSI:  (123 VAL N)-(123 VAL CA)-(123 VAL C)-(124 GLU N) -71.1 -11.1
 &rst     iat =  1856,  1858,  1870,  1872,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end

# 124 GLU PHI:  (123 VAL C)-(124 GLU N)-(124 GLU CA)-(124 GLU C) -94.1 -34.1
 &rst     iat =  1870,  1872,  1874,  1885,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 124 GLU PSI:  (124 GLU N)-(124 GLU CA)-(124 GLU C)-(125 ASN N) -68.1  -8.1
 &rst     iat =  1872,  1874,  1885,  1887,
   r1 = -69.1, r2 = -68.1, r3 =  -8.1, r4 =  -7.1,
 &end

# 125 ASN PHI:  (124 GLU C)-(125 ASN N)-(125 ASN CA)-(125 ASN C) -95.1 -35.1
 &rst     iat =  1885,  1887,  1889,  1899,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 125 ASN PSI:  (125 ASN N)-(125 ASN CA)-(125 ASN C)-(126 LEU N) -67.0  -7.0
 &rst     iat =  1887,  1889,  1899,  1901,
   r1 = -68.0, r2 = -67.0, r3 =  -7.0, r4 =  -6.0,
 &end

# 126 LEU PHI:  (125 ASN C)-(126 LEU N)-(126 LEU CA)-(126 LEU C) -95.3 -35.3
 &rst     iat =  1899,  1901,  1903,  1918,
   r1 = -96.3, r2 = -95.3, r3 = -35.3, r4 = -34.3,
 &end

# 126 LEU PSI:  (126 LEU N)-(126 LEU CA)-(126 LEU C)-(127 ILE N) -71.9 -11.9
 &rst     iat =  1901,  1903,  1918,  1920,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 127 ILE PHI:  (126 LEU C)-(127 ILE N)-(127 ILE CA)-(127 ILE C) -94.5 -34.5
 &rst     iat =  1918,  1920,  1922,  1937,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end

# 127 ILE PSI:  (127 ILE N)-(127 ILE CA)-(127 ILE C)-(128 ALA N) -69.9  -9.9
 &rst     iat =  1920,  1922,  1937,  1939,
   r1 = -70.9, r2 = -69.9, r3 =  -9.9, r4 =  -8.9,
 &end

# 128 ALA PHI:  (127 ILE C)-(128 ALA N)-(128 ALA CA)-(128 ALA C) -95.2 -35.2
 &rst     iat =  1937,  1939,  1941,  1947,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 128 ALA PSI:  (128 ALA N)-(128 ALA CA)-(128 ALA C)-(129 LYS N) -65.1  -5.1
 &rst     iat =  1939,  1941,  1947,  1949,
   r1 = -66.1, r2 = -65.1, r3 =  -5.1, r4 =  -4.1,
 &end

#
#   45 THR  HB          112 PHE  HE          2.80    (#      0:26  Unique         2.94, 3.25 A)
 &rst
  ixpk= 0, nxpk= 26, iat= 678,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr2=1668,1672,
 &end
#
#    0 AMB  26-2:1      112 PHE  HE          5.50    (#      1:26  Single Ambig)
 &rst
  ixpk= 1, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 664, 665, 664, 665,
 igr2=1668,1672,
 &end
#
#    0 AMB  26-2:2      112 PHE  HE          4.50    (#      2:26  Single Ambig)
 &rst
  ixpk= 2, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1554,1555, 680, 681, 682,
 igr2=1668,1672,
 &end
#
#   65 ILE  HA           68 PHE  HD          3.50    (#      3:26  Unique         2.70, 5.35 A)
 &rst
  ixpk= 3, nxpk= 26, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1006,1014,
 &end
#
#   68 PHE  HB+          68 PHE  HD          3.50    (#      4:26  Unique         2.39, 3.07 A)
 &rst
  ixpk= 4, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1002,1003,
 igr2=1006,1014,
 &end
#
#   68 PHE  HB-          68 PHE  HD          3.50    (#      5:26  Unique         2.39, 3.07 A)
 &rst
  ixpk= 5, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1002,1003,
 igr2=1006,1014,
 &end
#
#    0 AMB  26-2:6       68 PHE  HD          3.50    (#      6:26  Single Ambig)
 &rst
  ixpk= 6, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 510, 511, 512, 960, 961,
 igr2=1006,1014,
 &end
#
#   57 ILE  HG1-         21 PHE  HE          5.50    (#     10:26  Unique         6.33, 7.26 A)
 &rst
  ixpk= 10, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 855, 856,
 igr2= 338, 342,
 &end
#
#   96 PHE  HB+          96 PHE  HD          3.50    (#     12:26  Unique         2.42, 3.09 A)
 &rst
  ixpk= 12, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1417,1418,
 igr2=1421,1429,
 &end
#
#   21 PHE  HB-          21 PHE  HD          3.50    (#     13:26  Unique         2.32, 3.11 A)
 &rst
  ixpk= 13, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 332, 333,
 igr2= 336, 344,
 &end
#
#   55 ILE  QD1          21 PHE  HD          3.50    (#     14:26  Unique         2.30, 4.73 A)
 &rst
  ixpk= 14, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 827, 828, 829,
 igr2= 336, 344,
 &end
#
#    6 PHE  HB-           6 PHE  HD          3.50    (#     15:26  Unique         2.36, 3.08 A)
 &rst
  ixpk= 15, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 102, 103,
 igr2= 106, 114,
 &end
#
#   91 VAL  HA           96 PHE  HD          3.50    (#     16:26  Unique         2.40, 3.85 A)
 &rst
  ixpk= 16, nxpk= 26, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1421,1429,
 &end
#
#   96 PHE  HB-          96 PHE  HD          2.80    (#     17:26  Unique         2.42, 3.09 A)
 &rst
  ixpk= 17, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1417,1418,
 igr2=1421,1429,
 &end
#
#   76 VAL  MGY          96 PHE  HD          3.50    (#     19:26  Unique         2.15, 6.67 A)
 &rst
  ixpk= 19, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1421,1429,
 &end
#
#  119 VAL  MGX          21 PHE  HD          2.80    (#     21:26  Unique         2.43, 7.00 A)
 &rst
  ixpk= 21, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1786,1787,1788,1790,1791,1792,
 igr2= 336, 344,
 &end
#
#    0 AMB  26-2:22      21 PHE  HD          3.50    (#     22:26  Single Ambig)
 &rst
  ixpk= 22, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 755, 756, 757,1800,1801,
 igr2= 336, 344,
 &end
#
#   21 PHE  HA           21 PHE  HD          3.50    (#     23:26  Unique         2.11, 3.44 A)
 &rst
  ixpk= 23, nxpk= 26, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 336, 344,
 &end
#
#   21 PHE  HB+          21 PHE  HD          3.50    (#     24:26  Unique         2.32, 3.11 A)
 &rst
  ixpk= 24, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 332, 333,
 igr2= 336, 344,
 &end
#
#    6 PHE  HB+           6 PHE  HD          3.50    (#     25:26  Unique         2.36, 3.08 A)
 &rst
  ixpk= 25, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 102, 103,
 igr2= 106, 114,
 &end
#
#  119 VAL  MGY           6 PHE  HD          5.50    (#     26:26  Unique         4.85, 7.85 A)
 &rst
  ixpk= 26, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1786,1787,1788,1790,1791,1792,
 igr2= 106, 114,
 &end
#
#   79 LEU  MDX           6 PHE  HD          3.50    (#     27:26  Unique         2.08, 5.17 A)
 &rst
  ixpk= 27, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 106, 114,
 &end
#
#   98 ASP  HB+          96 PHE  HD          5.50    (#     28:26  Unique         4.89, 6.26 A)
 &rst
  ixpk= 28, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1452,1453,
 igr2=1421,1429,
 &end
#
#   77 ILE  HB            6 PHE  HD          4.50    (#     29:26  Unique         2.48, 4.08 A)
 &rst
  ixpk= 29, nxpk= 26, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 106, 114,
 &end
#
#   32 VAL  MGX           6 PHE  HD          5.50    (#     30:26  Unique         2.14, 6.17 A)
 &rst
  ixpk= 30, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 106, 114,
 &end
#
#    0 AMB  26-2:31       6 PHE  HD          3.50    (#     31:26  Single Ambig)
 &rst
  ixpk= 31, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 300, 301, 302,1141,1142,
 igr2= 106, 114,
 &end
#
#   32 VAL  MGY           6 PHE  HE          3.50    (#     32:26  Unique         2.10, 5.78 A)
 &rst
  ixpk= 32, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 108, 112,
 &end
#
#   79 LEU  MDX           6 PHE  HE          4.50    (#     33:26  Unique         3.99, 6.77 A)
 &rst
  ixpk= 33, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 108, 112,
 &end
#
#  123 VAL  MGY           6 PHE  HE          3.50    (#     34:26  Unique         2.37, 4.59 A)
 &rst
  ixpk= 34, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 108, 112,
 &end
#
#  109 LEU  HA          112 PHE  HD          3.50    (#     35:26  Unique         2.56, 4.18 A)
 &rst
  ixpk= 35, nxpk= 26, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1666,1674,
 &end
#
#  112 PHE  HA          112 PHE  HD          3.50    (#     36:26  Unique         2.74, 3.41 A)
 &rst
  ixpk= 36, nxpk= 26, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1666,1674,
 &end
#
#  112 PHE  HB+         112 PHE  HD          2.80    (#     37:26  Unique         2.37, 3.07 A)
 &rst
  ixpk= 37, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1662,1663,
 igr2=1666,1674,
 &end
#
#  104 PRO  HB-         112 PHE  HD          3.50    (#     38:26  Unique         2.97, 4.22 A)
 &rst
  ixpk= 38, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1666,1674,
 &end
#
#    0 AMB  26-2:39       6 PHE  HE          3.50    (#     39:26  Single Ambig)
 &rst
  ixpk= 39, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 igr2= 108, 112,
 &end
#
#   22 ALA  MB            6 PHE  HE          3.50    (#     40:26  Unique         2.47, 4.05 A)
 &rst
  ixpk= 40, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 352, 353, 354,
 igr2= 108, 112,
 &end
#
#  112 PHE  HB-         112 PHE  HD          2.80    (#     41:26  Unique         2.37, 3.07 A)
 &rst
  ixpk= 41, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1662,1663,
 igr2=1666,1674,
 &end
#
#    0 AMB  26-2:42     112 PHE  HD          3.50    (#     42:26  Single Ambig)
 &rst
  ixpk= 42, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 290, 291, 292,1584,1585,
 igr2=1666,1674,
 &end
#
#   98 ASP  HB-          96 PHE  HE          3.50    (#     45:26  Unique         2.60, 4.41 A)
 &rst
  ixpk= 45, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1452,1453,
 igr2=1423,1427,
 &end
#
#  105 ASP  HA           43 HIS  HE1         3.50    (#     46:26  Unique         3.53, 3.57 A)
 &rst
  ixpk= 46, nxpk= 26, iat=1563, 653, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  MDY          96 PHE  HE          3.50    (#     47:26  Unique         2.27, 5.93 A)
 &rst
  ixpk= 47, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1423,1427,
 &end
#
#   22 ALA  MB            6 PHE  HZ          3.50    (#     49:26  Unique         2.38, 3.17 A)
 &rst
  ixpk= 49, nxpk= 26, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 352, 353, 354,
 &end
#
#  123 VAL  MGY           6 PHE  HZ          3.50    (#     50:26  Unique         2.30, 3.48 A)
 &rst
  ixpk= 50, nxpk= 26, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  MGX           6 PHE  HZ          3.50    (#     51:26  Unique         2.30, 3.48 A)
 &rst
  ixpk= 51, nxpk= 26, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#   88 PRO  HG+          90 TRP  HD1         2.80    (#     54:26  Unique         2.07, 2.93 A)
 &rst
  ixpk= 54, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1283,1284,
 &end
#
#  105 ASP  HB+         112 PHE  HZ          5.50    (#     56:26  Unique         5.34, 6.14 A)
 &rst
  ixpk= 56, nxpk= 26, iat=  -1,1670, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1565,1566,
 &end
#
#    0 AMB  26-2:57     112 PHE  HZ          4.50    (#     57:26  Single Ambig)
 &rst
  ixpk= 57, nxpk= 26, iat=  -1,1670, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1587,1588,1646,
 &end
#
#    0 AMB  26-2:58     112 PHE  HZ          4.50    (#     58:26  Single Ambig)
 &rst
  ixpk= 58, nxpk= 26, iat=  -1,1670, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1584,1585,1587,1588, 290, 291, 292,
 &end
#
#   68 PHE  HB-          73 TYR  HE          3.50    (#     61:26  Unique         2.09, 4.60 A)
 &rst
  ixpk= 61, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1002,1003,
 igr2=1076,1081,
 &end
#
#   68 PHE  HB+          73 TYR  HE          3.50    (#     62:26  Unique         2.09, 4.60 A)
 &rst
  ixpk= 62, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1002,1003,
 igr2=1076,1081,
 &end
#
#    5 MET  ME           73 TYR  HE          3.50    (#     63:26  Unique         2.86, 4.23 A)
 &rst
  ixpk= 63, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  92,  93,  94,
 igr2=1076,1081,
 &end
#
#   97 GLU  HB+          99 TRP  HD1         3.50    (#     64:26  Unique         2.24, 3.00 A)
 &rst
  ixpk= 64, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1437,1438,
 &end
#
#   97 GLU  HB-          99 TRP  HD1         4.50    (#     65:26  Unique         2.24, 3.00 A)
 &rst
  ixpk= 65, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1437,1438,
 &end
#
#   33 THR  MG2          68 PHE  HZ          4.50    (#     70:26  Unique         2.77, 3.51 A)
 &rst
  ixpk= 70, nxpk= 26, iat=  -1,1010, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 510, 511, 512,
 &end
#
#   43 HIS  HB-          43 HIS  HD2         3.50    (#     73:26  Unique         2.70, 3.34 A)
 &rst
  ixpk= 73, nxpk= 26, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#    0 AMB  26-2:74      43 HIS  HD2         3.50    (#     74:26  Single Ambig)
 &rst
  ixpk= 74, nxpk= 26, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 647, 648, 661, 662,
 &end
#
#    0 AMB  26-2:77      99 TRP  HZ2         4.50    (#     77:26  Single Ambig)
 &rst
  ixpk= 77, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#   77 ILE  QD1          99 TRP  HZ2         4.50    (#     78:26  Unique         2.90, 4.09 A)
 &rst
  ixpk= 78, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#  126 LEU  HB+          99 TRP  HZ2         3.50    (#     79:26  Unique         2.26, 2.91 A)
 &rst
  ixpk= 79, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  126 LEU  HB-          99 TRP  HZ2         2.80    (#     80:26  Unique         2.26, 2.91 A)
 &rst
  ixpk= 80, nxpk= 26, iat=  -1,1473, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#   68 PHE  HB+          90 TRP  HZ2         5.50    (#     81:26  Unique         2.35, 3.95 A)
 &rst
  ixpk= 81, nxpk= 26, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#   68 PHE  HB-          90 TRP  HZ2         5.50    (#     82:26  Unique         2.35, 3.95 A)
 &rst
  ixpk= 82, nxpk= 26, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#    0 AMB  26-2:84      43 HIS  HD2         5.50    (#     84:26  Single Ambig)
 &rst
  ixpk= 84, nxpk= 26, iat=  -1, 656, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1573, 643,
 &end
#
#   43 HIS  HA           43 HIS  HD2         5.50    (#     85:26  Unique         2.79, 2.94 A)
 &rst
  ixpk= 85, nxpk= 26, iat= 645, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  105 ASP  HA           43 HIS  HD2         5.50    (#     86:26  Unique         3.30, 3.64 A)
 &rst
  ixpk= 86, nxpk= 26, iat=1563, 656, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 PHE  HN           68 PHE  HD          3.50    (#     88:26  Unique         2.49, 3.82 A)
 &rst
  ixpk= 88, nxpk= 26, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1006,1014,
 &end
#
#   68 PHE  HE           68 PHE  HD          2.80    (#     89:26  Unique         2.46, 3.73 A)
 &rst
  ixpk= 89, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1008,1012,
 igr2=1006,1014,
 &end
#
#   69 ASN  HN           68 PHE  HD          4.50    (#     90:26  Unique         3.40, 4.50 A)
 &rst
  ixpk= 90, nxpk= 26, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1006,1014,
 &end
#
#   67 ASN  HN           68 PHE  HD          4.50    (#     91:26  Unique         3.29, 5.15 A)
 &rst
  ixpk= 91, nxpk= 26, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1006,1014,
 &end
#
#    0 AMB  26-2:92      96 PHE  HD          4.50    (#     92:26  Single Ambig)
 &rst
  ixpk= 92, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1413,1448,
 igr2=1421,1429,
 &end
#
#   96 PHE  HA           96 PHE  HD          3.50    (#     93:26  Unique         2.65, 3.55 A)
 &rst
  ixpk= 93, nxpk= 26, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1421,1429,
 &end
#
#   90 TRP  HB-          90 TRP  HD1         4.50    (#     95:26  Unique         2.55, 2.88 A)
 &rst
  ixpk= 95, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1312,1313,
 &end
#
#    0 AMB  26-2:96      90 TRP  HD1         3.50    (#     96:26  Single Ambig)
 &rst
  ixpk= 96, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1312,1313,1280,1281,
 &end
#
#   88 PRO  HD+          90 TRP  HD1         4.50    (#     97:26  Unique         3.58, 4.83 A)
 &rst
  ixpk= 97, nxpk= 26, iat=  -1,1316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1280,1281,
 &end
#
#   90 TRP  HN           90 TRP  HD1         4.50    (#     98:26  Unique         2.25, 3.74 A)
 &rst
  ixpk= 98, nxpk= 26, iat=1308,1316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HE1          90 TRP  HD1         3.50    (#     99:26  Unique         2.48, 2.52 A)
 &rst
  ixpk= 99, nxpk= 26, iat=1318,1316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 PRO  HD-         112 PHE  HZ          4.50    (#    101:26  Unique         4.71, 5.61 A)
 &rst
  ixpk= 101, nxpk= 26, iat=  -1,1670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 661, 662,
 &end
#
#  112 PHE  HE          112 PHE  HZ          4.50    (#    102:26  Unique         2.45, 2.47 A)
 &rst
  ixpk= 102, nxpk= 26, iat=  -1,1670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1668,1672,
 &end
#
#   99 TRP  HA           99 TRP  HD1         4.50    (#    104:26  Unique         2.39, 2.68 A)
 &rst
  ixpk= 104, nxpk= 26, iat=1462,1468, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HB-          99 TRP  HD1         5.50    (#    106:26  Unique         2.50, 3.62 A)
 &rst
  ixpk= 106, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#   45 THR  HN          112 PHE  HE          4.50    (#    115:26  Unique         4.51, 5.10 A)
 &rst
  ixpk= 115, nxpk= 26, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1668,1672,
 &end
#
#   46 ALA  HN          112 PHE  HE          4.50    (#    116:26  Unique         3.01, 4.81 A)
 &rst
  ixpk= 116, nxpk= 26, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1668,1672,
 &end
#
#    0 AMB  26-2:117    112 PHE  HE          4.50    (#    117:26  Single Ambig)
 &rst
  ixpk= 117, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1670,1666,1674,
 igr2=1668,1672,
 &end
#
#   43 HIS  HE1         112 PHE  HE          4.50    (#    118:26  Unique         3.34, 4.22 A)
 &rst
  ixpk= 118, nxpk= 26, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1668,1672,
 &end
#
#   43 HIS  HB+         112 PHE  HE          5.50    (#    120:26  Unique         3.35, 5.72 A)
 &rst
  ixpk= 120, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 647, 648,
 igr2=1668,1672,
 &end
#
#   46 ALA  HA          112 PHE  HE          5.50    (#    121:26  Unique         2.77, 4.86 A)
 &rst
  ixpk= 121, nxpk= 26, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1668,1672,
 &end
#
#   19 GLU  HA            6 PHE  HD          5.50    (#    122:26  Unique         3.23, 4.93 A)
 &rst
  ixpk= 122, nxpk= 26, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 106, 114,
 &end
#
#    6 PHE  HA            6 PHE  HD          3.50    (#    123:26  Unique         2.81, 3.51 A)
 &rst
  ixpk= 123, nxpk= 26, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 106, 114,
 &end
#
#    6 PHE  HE            6 PHE  HD          2.80    (#    124:26  Unique         2.48, 3.73 A)
 &rst
  ixpk= 124, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 108, 112,
 igr2= 106, 114,
 &end
#
#    6 PHE  HN            6 PHE  HD          5.50    (#    125:26  Unique         2.74, 4.02 A)
 &rst
  ixpk= 125, nxpk= 26, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 106, 114,
 &end
#
#    0 AMB  26-2:126     21 PHE  HE          4.50    (#    126:26  Single Ambig)
 &rst
  ixpk= 126, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1806,1807,1806,1807,
 igr2= 338, 342,
 &end
#
#  116 ARG  HG-          21 PHE  HE          4.50    (#    127:26  Unique         2.26, 3.98 A)
 &rst
  ixpk= 127, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1739,1740,
 igr2= 338, 342,
 &end
#
#   52 GLU  HB-          21 PHE  HE          5.50    (#    128:26  Unique         5.58, 7.60 A)
 &rst
  ixpk= 128, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 780, 781,
 igr2= 338, 342,
 &end
#
#    0 AMB  26-2:129     21 PHE  HE          5.50    (#    129:26  Single Ambig)
 &rst
  ixpk= 129, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 283, 284,1784,
 igr2= 338, 342,
 &end
#
#   21 PHE  HD           21 PHE  HE          2.80    (#    131:26  Unique         2.46, 3.72 A)
 &rst
  ixpk= 131, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 336, 344,
 igr2= 338, 342,
 &end
#
#    0 AMB  26-2:132     21 PHE  HD          4.50    (#    132:26  Single Ambig)
 &rst
  ixpk= 132, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1863,1864,1865,1867,1868,1869,1806,1807,
 igr2= 336, 344,
 &end
#
#   78 SER  HB-          96 PHE  HE          4.50    (#    133:26  Unique         2.04, 3.77 A)
 &rst
  ixpk= 133, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1154,1155,
 igr2=1423,1427,
 &end
#
#   91 VAL  HA           96 PHE  HE          4.50    (#    134:26  Unique         2.87, 4.53 A)
 &rst
  ixpk= 134, nxpk= 26, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1427,
 &end
#
#    0 AMB  26-2:136      6 PHE  HZ          4.50    (#    136:26  Single Ambig)
 &rst
  ixpk= 136, nxpk= 26, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 300, 301, 302,1141,1142,
 &end
#
#    4 VAL  MGY           6 PHE  HZ          4.50    (#    137:26  Unique         2.47, 4.02 A)
 &rst
  ixpk= 137, nxpk= 26, iat=  -1, 110, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   99 TRP  HE1          99 TRP  HZ2         3.50    (#    150:26  Unique         2.95, 2.97 A)
 &rst
  ixpk= 150, nxpk= 26, iat=1470,1473, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HE1          90 TRP  HZ2         3.50    (#    151:26  Unique         2.78, 2.85 A)
 &rst
  ixpk= 151, nxpk= 26, iat=1318,1321, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HN           99 TRP  HZ2         5.50    (#    152:26  Unique         3.76, 3.97 A)
 &rst
  ixpk= 152, nxpk= 26, iat=1902,1473, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HD1          99 TRP  HZ2         5.50    (#    153:26  Unique         5.11, 5.13 A)
 &rst
  ixpk= 153, nxpk= 26, iat=1468,1473, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 TYR  HE           90 TRP  HZ2         4.50    (#    154:26  Unique         4.47, 7.65 A)
 &rst
  ixpk= 154, nxpk= 26, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1076,1081,
 &end
#
#  126 LEU  HA           99 TRP  HZ2         5.50    (#    155:26  Unique         3.75, 4.71 A)
 &rst
  ixpk= 155, nxpk= 26, iat=1904,1473, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  123 VAL  HA           99 TRP  HZ2         5.50    (#    156:26  Unique         3.50, 3.88 A)
 &rst
  ixpk= 156, nxpk= 26, iat=1859,1473, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 MET  HB+           6 PHE  HD          5.50    (#    159:26  Unique         5.86, 7.06 A)
 &rst
  ixpk= 159, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  85,  86,
 igr2= 106, 114,
 &end
#
#   32 VAL  HB            6 PHE  HD          5.50    (#    160:26  Unique         4.45, 6.26 A)
 &rst
  ixpk= 160, nxpk= 26, iat= 492,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 106, 114,
 &end
#
#   77 ILE  QG2           6 PHE  HD          3.50    (#    161:26  Unique         2.47, 5.30 A)
 &rst
  ixpk= 161, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1137,1138,1139,
 igr2= 106, 114,
 &end
#
#   21 PHE  HE           21 PHE  HD          2.80    (#    162:26  Unique         2.46, 3.72 A)
 &rst
  ixpk= 162, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 338, 342,
 igr2= 336, 344,
 &end
#
#   21 PHE  HN           21 PHE  HD          4.50    (#    163:26  Unique         3.10, 3.71 A)
 &rst
  ixpk= 163, nxpk= 26, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 336, 344,
 &end
#
#   99 TRP  HE1          99 TRP  HD1         2.80    (#    167:26  Unique         2.51, 2.54 A)
 &rst
  ixpk= 167, nxpk= 26, iat=1470,1468, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  26-2:168     99 TRP  HD1         5.50    (#    168:26  Single Ambig)
 &rst
  ixpk= 168, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1843,1844,1440,1441,
 &end
#
#   77 ILE  QD1          99 TRP  HD1         5.50    (#    169:26  Unique         4.12, 5.34 A)
 &rst
  ixpk= 169, nxpk= 26, iat=  -1,1468, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1144,1145,1146,
 &end
#
#   49 MET  HG+         112 PHE  HD          3.50    (#    176:26  Unique         2.14, 3.99 A)
 &rst
  ixpk= 176, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 734, 735,
 igr2=1666,1674,
 &end
#
#  112 PHE  HZ           43 HIS  HE1         2.80    (#    177:26  Unique         2.38, 2.68 A)
 &rst
  ixpk= 177, nxpk= 26, iat=1670, 653, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  26-2:180      6 PHE  HE          2.80    (#    180:26  Single Ambig)
 &rst
  ixpk= 180, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 110, 106, 114,
 igr2= 108, 112,
 &end
#
#   73 TYR  HE           73 TYR  HD          2.80    (#    182:26  Unique         2.45, 3.73 A)
 &rst
  ixpk= 182, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1076,1081,
 igr2=1074,1083,
 &end
#
#   68 PHE  HB+          73 TYR  HD          5.50    (#    183:26  Unique         3.81, 5.85 A)
 &rst
  ixpk= 183, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1002,1003,
 igr2=1074,1083,
 &end
#
#    0 AMB  26-2:184     21 PHE  HE          4.50    (#    184:26  Single Ambig)
 &rst
  ixpk= 184, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 755, 756, 757,1800,1801,
 igr2= 338, 342,
 &end
#
#   55 ILE  QD1          21 PHE  HE          4.50    (#    185:26  Unique         2.31, 5.11 A)
 &rst
  ixpk= 185, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 827, 828, 829,
 igr2= 338, 342,
 &end
#
#    3 LYS  HB-          73 TYR  HD          4.50    (#    187:26  Unique         2.22, 4.29 A)
 &rst
  ixpk= 187, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  47,  48,
 igr2=1074,1083,
 &end
#
#    0 AMB  26-2:189     73 TYR  HE          4.50    (#    189:26  Single Ambig)
 &rst
  ixpk= 189, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  50,  51,  88,  89,  53,  54,
 igr2=1076,1081,
 &end
#
#   69 ASN  HD2+         73 TYR  HE          4.50    (#    191:26  Unique         3.40, 6.01 A)
 &rst
  ixpk= 191, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1027,1028,
 igr2=1076,1081,
 &end
#
#   68 PHE  HD           73 TYR  HE          2.80    (#    192:26  Unique         2.85, 5.26 A)
 &rst
  ixpk= 192, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1006,1014,
 igr2=1076,1081,
 &end
#
#    0 AMB  26-2:193     73 TYR  HE          4.50    (#    193:26  Single Ambig)
 &rst
  ixpk= 193, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1054,1066,
 igr2=1076,1081,
 &end
#
#   76 VAL  HB           96 PHE  HD          4.50    (#    194:26  Unique         2.81, 5.54 A)
 &rst
  ixpk= 194, nxpk= 26, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1421,1429,
 &end
#
#   72 ASP  HA           73 TYR  HD          5.50    (#    195:26  Unique         4.65, 5.81 A)
 &rst
  ixpk= 195, nxpk= 26, iat=1056,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1074,1083,
 &end
#
#  112 PHE  HE           43 HIS  HE1         4.50    (#    200:26  Unique         3.34, 4.22 A)
 &rst
  ixpk= 200, nxpk= 26, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1668,1672,
 &end
#
#   45 THR  HB           43 HIS  HE1         5.50    (#    201:26  Unique         3.21, 3.71 A)
 &rst
  ixpk= 201, nxpk= 26, iat= 678, 653, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  26-2:203     43 HIS  HE1         4.50    (#    203:26  Single Ambig)
 &rst
  ixpk= 203, nxpk= 26, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 680, 681, 682,1554,1555,
 &end
#
#  112 PHE  HN          112 PHE  HD          3.50    (#    205:26  Unique         2.69, 3.83 A)
 &rst
  ixpk= 205, nxpk= 26, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1666,1674,
 &end
#
#  113 ARG  HN          112 PHE  HD          4.50    (#    206:26  Unique         4.80, 5.07 A)
 &rst
  ixpk= 206, nxpk= 26, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1666,1674,
 &end
#
#    5 MET  ME           90 TRP  HZ2         4.50    (#    207:26  Unique         3.77, 5.37 A)
 &rst
  ixpk= 207, nxpk= 26, iat=  -1,1321, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  92,  93,  94,
 &end
#
#    0 AMB  26-2:209      6 PHE  HE          3.50    (#    209:26  Single Ambig)
 &rst
  ixpk= 209, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1141,1142, 300, 301, 302,
 igr2= 108, 112,
 &end
#
#    6 PHE  HB-           6 PHE  HE          4.50    (#    210:26  Unique         4.68, 5.11 A)
 &rst
  ixpk= 210, nxpk= 26, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 102, 103,
 igr2= 108, 112,
 &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:  CA CG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=24,30,28,29, &end
#
#  chirality for residue 2 atoms:  CD NZ HE2 HE3
 &rst iat=30,36,34,35, &end
#
#  chirality for residue 2 atoms:  CG CE HD2 HD3
 &rst iat=27,33,31,32, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,40,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=44,49,47,48, &end
#
#  chirality for residue 3 atoms:  CB CD HG2 HG3
 &rst iat=46,52,50,51, &end
#
#  chirality for residue 3 atoms:  CD NZ HE2 HE3
 &rst iat=52,58,56,57, &end
#
#  chirality for residue 3 atoms:  CG CE HD2 HD3
 &rst iat=49,55,53,54, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=42,62,45,46, &end
#
#  chirality for residue 4 atoms:  CA CG1 CG2 HB
 &rst iat=66,70,74,69, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=64,78,67,68, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=82,87,85,86, &end
#
#  chirality for residue 5 atoms:  CB SD HG2 HG3
 &rst iat=84,90,88,89, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=80,95,83,84, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=97,115,100,101, &end
#
#  chirality for residue 7 atoms:  CA CG1 CG2 HB
 &rst iat=119,123,127,122, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=117,131,120,121, &end
#
#  chirality for residue 8 atoms:  CA SG HB2 HB3
 &rst iat=135,140,138,139, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=133,142,136,137, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=146,151,149,150, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=148,154,152,153, &end
#
#  chirality for residue 9 atoms:  CD NZ HE2 HE3
 &rst iat=154,160,158,159, &end
#
#  chirality for residue 9 atoms:  CG CE HD2 HD3
 &rst iat=151,157,155,156, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=144,164,147,148, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=168,173,171,172, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=170,176,174,175, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=173,179,177,178, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=166,188,169,170, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=192,197,195,196, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=190,202,193,194, &end
#
#  chirality for residue 12 atoms:  CA OG HB2 HB3
 &rst iat=206,211,209,210, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=204,213,207,208, &end
#
#  chirality for residue 13 atoms:  CA SG HB2 HB3
 &rst iat=217,222,220,221, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=215,224,218,219, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=228,233,231,232, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=230,236,234,235, &end
#
#  chirality for residue 14 atoms:  CG NE HD2 HD3
 &rst iat=233,239,237,238, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=226,248,229,230, &end
#
#  chirality for residue 15 atoms:  CA OG HB2 HB3
 &rst iat=252,257,255,256, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=250,259,253,254, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=263,268,266,267, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=265,271,269,270, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=261,276,264,265, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=280,285,283,284, &end
#
#  chirality for residue 17 atoms:  CB SD HG2 HG3
 &rst iat=282,288,286,287, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=278,293,281,282, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=295,303,298,299, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=307,312,310,311, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=309,315,313,314, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=305,318,308,309, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=320,325,323,324, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=329,334,332,333, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=327,345,330,331, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=347,355,350,351, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=359,364,362,363, &end
#
#  chirality for residue 23 atoms:  CB CD HG2 HG3
 &rst iat=361,367,365,366, &end
#
#  chirality for residue 23 atoms:  CD NZ HE2 HE3
 &rst iat=367,373,371,372, &end
#
#  chirality for residue 23 atoms:  CG CE HD2 HD3
 &rst iat=364,370,368,369, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=357,377,360,361, &end
#
#  chirality for residue 24 atoms:  CA CG2 OG1 HB
 &rst iat=381,385,389,384, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=379,391,382,383, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=395,400,398,399, &end
#
#  chirality for residue 25 atoms:  CB CD1 CD2 HG
 &rst iat=397,402,406,401, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=393,410,396,397, &end
#
#  chirality for residue 26 atoms:  N C HA2 HA3
 &rst iat=412,417,415,416, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=419,427,422,423, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=429,434,432,433, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=438,443,441,442, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=440,446,444,445, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=446,452,450,451, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=443,449,447,448, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=436,456,439,440, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=460,464,468,463, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=462,471,469,470, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=458,475,461,462, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=477,485,480,481, &end
#
#  chirality for residue 32 atoms:  CA CG1 CG2 HB
 &rst iat=489,493,497,492, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=487,501,490,491, &end
#
#  chirality for residue 33 atoms:  CA CG2 OG1 HB
 &rst iat=505,509,513,508, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=503,515,506,507, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=519,524,522,523, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=517,526,520,521, &end
#
#  chirality for residue 35 atoms:  CA SG HB2 HB3
 &rst iat=530,535,533,534, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=528,537,531,532, &end
#
#  chirality for residue 36 atoms:  N C HA2 HA3
 &rst iat=539,544,542,543, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=548,553,551,552, &end
#
#  chirality for residue 37 atoms:  CB CD1 CD2 HG
 &rst iat=550,555,559,554, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=546,563,549,550, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=567,572,570,571, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=569,575,573,574, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=565,578,568,569, &end
#
#  chirality for residue 39 atoms:  CA OG HB2 HB3
 &rst iat=582,587,585,586, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=580,589,583,584, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=593,598,596,597, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=591,600,594,595, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=604,609,607,608, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=606,612,610,611, &end
#
#  chirality for residue 41 atoms:  CG NE HD2 HD3
 &rst iat=609,615,613,614, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=602,624,605,606, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=628,632,636,631, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=626,640,629,630, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=644,649,647,648, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=642,657,645,646, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=669,663,667,668, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=666,660,664,665, &end
#
#  chirality for residue 44 atoms:  CG N HD2 HD3
 &rst iat=663,659,661,662, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=659,671,670,666, &end
#
#  chirality for residue 45 atoms:  CA CG2 OG1 HB
 &rst iat=675,679,683,678, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=673,685,676,677, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=687,695,690,691, &end
#
#  chirality for residue 47 atoms:  CA CG2 CG1 HB
 &rst iat=699,703,707,702, &end
#
#  chirality for residue 47 atoms:  CB CD1 HG12 HG13
 &rst iat=701,710,708,709, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=697,714,700,701, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=716,724,719,720, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=728,733,731,732, &end
#
#  chirality for residue 49 atoms:  CB SD HG2 HG3
 &rst iat=730,736,734,735, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=726,741,729,730, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=745,750,748,749, &end
#
#  chirality for residue 50 atoms:  CB SD HG2 HG3
 &rst iat=747,753,751,752, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=743,758,746,747, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=762,767,765,766, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=764,770,768,769, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=760,773,763,764, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=777,782,780,781, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=779,785,783,784, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=775,788,778,779, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=792,796,800,795, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=790,804,793,794, &end
#
#  chirality for residue 54 atoms:  N C HA2 HA3
 &rst iat=806,811,809,810, &end
#
#  chirality for residue 55 atoms:  CA CG2 CG1 HB
 &rst iat=815,819,823,818, &end
#
#  chirality for residue 55 atoms:  CB CD1 HG12 HG13
 &rst iat=817,826,824,825, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=813,830,816,817, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=834,839,837,838, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=832,842,835,836, &end
#
#  chirality for residue 57 atoms:  CA CG2 CG1 HB
 &rst iat=846,850,854,849, &end
#
#  chirality for residue 57 atoms:  CB CD1 HG12 HG13
 &rst iat=848,857,855,856, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=844,861,847,848, &end
#
#  chirality for residue 58 atoms:  CA OG HB2 HB3
 &rst iat=865,870,868,869, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=863,872,866,867, &end
#
#  chirality for residue 59 atoms:  N C HA2 HA3
 &rst iat=874,879,877,878, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=883,888,886,887, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=885,891,889,890, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=881,896,884,885, &end
#
#  chirality for residue 61 atoms:  CA CG2 OG1 HB
 &rst iat=900,904,908,903, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=898,910,901,902, &end
#
#  chirality for residue 62 atoms:  CA OG HB2 HB3
 &rst iat=914,919,917,918, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=912,921,915,916, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=925,930,928,929, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=923,933,926,927, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=945,939,943,944, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=942,936,940,941, &end
#
#  chirality for residue 64 atoms:  CG N HD2 HD3
 &rst iat=939,935,937,938, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=935,947,946,942, &end
#
#  chirality for residue 65 atoms:  CA CG2 CG1 HB
 &rst iat=951,955,959,954, &end
#
#  chirality for residue 65 atoms:  CB CD1 HG12 HG13
 &rst iat=953,962,960,961, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=949,966,952,953, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=970,975,973,974, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=972,978,976,977, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=968,981,971,972, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=985,990,988,989, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=983,995,986,987, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=999,1004,1002,1003, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=997,1015,1000,1001, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1019,1024,1022,1023, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1017,1029,1020,1021, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1031,1039,1034,1035, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1043,1048,1046,1047, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1041,1051,1044,1045, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1055,1060,1058,1059, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1053,1063,1056,1057, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1067,1072,1070,1071, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1065,1084,1068,1069, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1088,1093,1091,1092, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1086,1096,1089,1090, &end
#
#  chirality for residue 75 atoms:  CA CG1 CG2 HB
 &rst iat=1100,1104,1108,1103, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1098,1112,1101,1102, &end
#
#  chirality for residue 76 atoms:  CA CG1 CG2 HB
 &rst iat=1116,1120,1124,1119, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1114,1128,1117,1118, &end
#
#  chirality for residue 77 atoms:  CA CG2 CG1 HB
 &rst iat=1132,1136,1140,1135, &end
#
#  chirality for residue 77 atoms:  CB CD1 HG12 HG13
 &rst iat=1134,1143,1141,1142, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1130,1147,1133,1134, &end
#
#  chirality for residue 78 atoms:  CA OG HB2 HB3
 &rst iat=1151,1156,1154,1155, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1149,1158,1152,1153, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1162,1167,1165,1166, &end
#
#  chirality for residue 79 atoms:  CB CD1 CD2 HG
 &rst iat=1164,1169,1173,1168, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1160,1177,1163,1164, &end
#
#  chirality for residue 80 atoms:  CA SG HB2 HB3
 &rst iat=1181,1186,1184,1185, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1179,1188,1182,1183, &end
#
#  chirality for residue 81 atoms:  N C HA2 HA3
 &rst iat=1190,1195,1193,1194, &end
#
#  chirality for residue 82 atoms:  CA SG HB2 HB3
 &rst iat=1199,1204,1202,1203, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1197,1206,1200,1201, &end
#
#  chirality for residue 83 atoms:  N C HA2 HA3
 &rst iat=1208,1213,1211,1212, &end
#
#  chirality for residue 84 atoms:  CA CG1 CG2 HB
 &rst iat=1217,1221,1225,1220, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1215,1229,1218,1219, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1233,1238,1236,1237, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1231,1243,1234,1235, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1247,1252,1250,1251, &end
#
#  chirality for residue 86 atoms:  CB CD1 CD2 HG
 &rst iat=1249,1254,1258,1253, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1245,1262,1248,1249, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1274,1268,1272,1273, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1271,1265,1269,1270, &end
#
#  chirality for residue 87 atoms:  CG N HD2 HD3
 &rst iat=1268,1264,1266,1267, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1264,1276,1275,1271, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1288,1282,1286,1287, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1285,1279,1283,1284, &end
#
#  chirality for residue 88 atoms:  CG N HD2 HD3
 &rst iat=1282,1278,1280,1281, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1278,1290,1289,1285, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1294,1299,1297,1298, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1296,1302,1300,1301, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1292,1305,1295,1296, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1309,1314,1312,1313, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1307,1329,1310,1311, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1333,1337,1341,1336, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1331,1345,1334,1335, &end
#
#  chirality for residue 92 atoms:  CA CG2 OG1 HB
 &rst iat=1349,1353,1357,1352, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1347,1359,1350,1351, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1363,1368,1366,1367, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1365,1371,1369,1370, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1361,1376,1364,1365, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1380,1385,1383,1384, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1382,1388,1386,1387, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1378,1391,1381,1382, &end
#
#  chirality for residue 95 atoms:  CA CG2 CG1 HB
 &rst iat=1395,1399,1403,1398, &end
#
#  chirality for residue 95 atoms:  CB CD1 HG12 HG13
 &rst iat=1397,1406,1404,1405, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1393,1410,1396,1397, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1414,1419,1417,1418, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1412,1430,1415,1416, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1434,1439,1437,1438, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1436,1442,1440,1441, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1432,1445,1435,1436, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1449,1454,1452,1453, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1447,1457,1450,1451, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1461,1466,1464,1465, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1459,1481,1462,1463, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1485,1490,1488,1489, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1487,1493,1491,1492, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1483,1498,1486,1487, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1502,1507,1505,1506, &end
#
#  chirality for residue 101 atoms:  CB CD1 CD2 HG
 &rst iat=1504,1509,1513,1508, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1500,1517,1503,1504, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1521,1526,1524,1525, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1523,1529,1527,1528, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1519,1532,1522,1523, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1536,1541,1539,1540, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1534,1544,1537,1538, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1556,1550,1554,1555, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1553,1547,1551,1552, &end
#
#  chirality for residue 104 atoms:  CG N HD2 HD3
 &rst iat=1550,1546,1548,1549, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1546,1558,1557,1553, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1562,1567,1565,1566, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1560,1570,1563,1564, &end
#
#  chirality for residue 106 atoms:  N C HA2 HA3
 &rst iat=1572,1577,1575,1576, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1581,1586,1584,1585, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1583,1589,1587,1588, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1579,1594,1582,1583, &end
#
#  chirality for residue 108 atoms:  CA OG HB2 HB3
 &rst iat=1598,1603,1601,1602, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1596,1605,1599,1600, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1609,1614,1612,1613, &end
#
#  chirality for residue 109 atoms:  CB CD1 CD2 HG
 &rst iat=1611,1616,1620,1615, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1607,1624,1610,1611, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1628,1633,1631,1632, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1630,1636,1634,1635, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1626,1639,1629,1630, &end
#
#  chirality for residue 111 atoms:  CA CG1 CG2 HB
 &rst iat=1643,1647,1651,1646, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1641,1655,1644,1645, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1659,1664,1662,1663, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1657,1675,1660,1661, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1679,1684,1682,1683, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=1681,1687,1685,1686, &end
#
#  chirality for residue 113 atoms:  CG NE HD2 HD3
 &rst iat=1684,1690,1688,1689, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1677,1699,1680,1681, &end
#
#  chirality for residue 114 atoms:  CA CG2 OG1 HB
 &rst iat=1703,1707,1711,1706, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1701,1713,1704,1705, &end
#
#  chirality for residue 115 atoms:  CA CG1 CG2 HB
 &rst iat=1717,1721,1725,1720, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1715,1729,1718,1719, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1733,1738,1736,1737, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1735,1741,1739,1740, &end
#
#  chirality for residue 116 atoms:  CG NE HD2 HD3
 &rst iat=1738,1744,1742,1743, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1731,1753,1734,1735, &end
#
#  chirality for residue 117 atoms:  N C HA2 HA3
 &rst iat=1755,1760,1758,1759, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1764,1769,1767,1768, &end
#
#  chirality for residue 118 atoms:  CB CD HG2 HG3
 &rst iat=1766,1772,1770,1771, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1762,1777,1765,1766, &end
#
#  chirality for residue 119 atoms:  CA CG1 CG2 HB
 &rst iat=1781,1785,1789,1784, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1779,1793,1782,1783, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1797,1802,1800,1801, &end
#
#  chirality for residue 120 atoms:  CB CD HG2 HG3
 &rst iat=1799,1805,1803,1804, &end
#
#  chirality for residue 120 atoms:  CD NZ HE2 HE3
 &rst iat=1805,1811,1809,1810, &end
#
#  chirality for residue 120 atoms:  CG CE HD2 HD3
 &rst iat=1802,1808,1806,1807, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1795,1815,1798,1799, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1819,1824,1822,1823, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1821,1827,1825,1826, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1817,1830,1820,1821, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1834,1839,1837,1838, &end
#
#  chirality for residue 122 atoms:  CB CD HG2 HG3
 &rst iat=1836,1842,1840,1841, &end
#
#  chirality for residue 122 atoms:  CG NE HD2 HD3
 &rst iat=1839,1845,1843,1844, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1832,1854,1835,1836, &end
#
#  chirality for residue 123 atoms:  CA CG1 CG2 HB
 &rst iat=1858,1862,1866,1861, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1856,1870,1859,1860, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1874,1879,1877,1878, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1876,1882,1880,1881, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1872,1885,1875,1876, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1889,1894,1892,1893, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1887,1899,1890,1891, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=1903,1908,1906,1907, &end
#
#  chirality for residue 126 atoms:  CB CD1 CD2 HG
 &rst iat=1905,1910,1914,1909, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1901,1918,1904,1905, &end
#
#  chirality for residue 127 atoms:  CA CG2 CG1 HB
 &rst iat=1922,1926,1930,1925, &end
#
#  chirality for residue 127 atoms:  CB CD1 HG12 HG13
 &rst iat=1924,1933,1931,1932, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1920,1937,1923,1924, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=1939,1947,1942,1943, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=1951,1956,1954,1955, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=1953,1959,1957,1958, &end
#
#  chirality for residue 129 atoms:  CD NZ HE2 HE3
 &rst iat=1959,1965,1963,1964, &end
#
#  chirality for residue 129 atoms:  CG CE HD2 HD3
 &rst iat=1956,1962,1960,1961, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=1949,1969,1952,1953, &end
#
#  chirality for residue 130 atoms:  CA CG2 CG1 HB
 &rst iat=1973,1977,1981,1976, &end
#
#  chirality for residue 130 atoms:  CB CD1 HG12 HG13
 &rst iat=1975,1984,1982,1983, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=1971,1988,1974,1975, &end
#
#  chirality for residue 131 atoms:  CA OG HB2 HB3
 &rst iat=1992,1997,1995,1996, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=1990,1999,1993,1994, &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=44,42,40,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=66,64,62,44, &end
#
#  trans-omega constraint for residue 5
 &rst iat=82,80,78,66, &end
#
#  trans-omega constraint for residue 6
 &rst iat=99,97,95,82, &end
#
#  trans-omega constraint for residue 7
 &rst iat=119,117,115,99, &end
#
#  trans-omega constraint for residue 8
 &rst iat=135,133,131,119, &end
#
#  trans-omega constraint for residue 9
 &rst iat=146,144,142,135, &end
#
#  trans-omega constraint for residue 10
 &rst iat=168,166,164,146, &end
#
#  trans-omega constraint for residue 11
 &rst iat=192,190,188,168, &end
#
#  trans-omega constraint for residue 12
 &rst iat=206,204,202,192, &end
#
#  trans-omega constraint for residue 13
 &rst iat=217,215,213,206, &end
#
#  trans-omega constraint for residue 14
 &rst iat=228,226,224,217, &end
#
#  trans-omega constraint for residue 15
 &rst iat=252,250,248,228, &end
#
#  trans-omega constraint for residue 16
 &rst iat=263,261,259,252, &end
#
#  trans-omega constraint for residue 17
 &rst iat=280,278,276,263, &end
#
#  trans-omega constraint for residue 18
 &rst iat=297,295,293,280, &end
#
#  trans-omega constraint for residue 19
 &rst iat=307,305,303,297, &end
#
#  trans-omega constraint for residue 20
 &rst iat=322,320,318,307, &end
#
#  trans-omega constraint for residue 21
 &rst iat=329,327,325,322, &end
#
#  trans-omega constraint for residue 22
 &rst iat=349,347,345,329, &end
#
#  trans-omega constraint for residue 23
 &rst iat=359,357,355,349, &end
#
#  trans-omega constraint for residue 24
 &rst iat=381,379,377,359, &end
#
#  trans-omega constraint for residue 25
 &rst iat=395,393,391,381, &end
#
#  trans-omega constraint for residue 26
 &rst iat=414,412,410,395, &end
#
#  trans-omega constraint for residue 27
 &rst iat=421,419,417,414, &end
#
#  trans-omega constraint for residue 28
 &rst iat=431,429,427,421, &end
#
#  trans-omega constraint for residue 29
 &rst iat=438,436,434,431, &end
#
#  trans-omega constraint for residue 30
 &rst iat=460,458,456,438, &end
#
#  trans-omega constraint for residue 31
 &rst iat=479,477,475,460, &end
#
#  trans-omega constraint for residue 32
 &rst iat=489,487,485,479, &end
#
#  trans-omega constraint for residue 33
 &rst iat=505,503,501,489, &end
#
#  trans-omega constraint for residue 34
 &rst iat=519,517,515,505, &end
#
#  trans-omega constraint for residue 35
 &rst iat=530,528,526,519, &end
#
#  trans-omega constraint for residue 36
 &rst iat=541,539,537,530, &end
#
#  trans-omega constraint for residue 37
 &rst iat=548,546,544,541, &end
#
#  trans-omega constraint for residue 38
 &rst iat=567,565,563,548, &end
#
#  trans-omega constraint for residue 39
 &rst iat=582,580,578,567, &end
#
#  trans-omega constraint for residue 40
 &rst iat=593,591,589,582, &end
#
#  trans-omega constraint for residue 41
 &rst iat=604,602,600,593, &end
#
#  trans-omega constraint for residue 42
 &rst iat=628,626,624,604, &end
#
#  trans-omega constraint for residue 43
 &rst iat=644,642,640,628, &end
#
#  trans-omega constraint for residue 44
 &rst iat=669,659,657,644, &end
#
#  trans-omega constraint for residue 45
 &rst iat=675,673,671,669, &end
#
#  trans-omega constraint for residue 46
 &rst iat=689,687,685,675, &end
#
#  trans-omega constraint for residue 47
 &rst iat=699,697,695,689, &end
#
#  trans-omega constraint for residue 48
 &rst iat=718,716,714,699, &end
#
#  trans-omega constraint for residue 49
 &rst iat=728,726,724,718, &end
#
#  trans-omega constraint for residue 50
 &rst iat=745,743,741,728, &end
#
#  trans-omega constraint for residue 51
 &rst iat=762,760,758,745, &end
#
#  trans-omega constraint for residue 52
 &rst iat=777,775,773,762, &end
#
#  trans-omega constraint for residue 53
 &rst iat=792,790,788,777, &end
#
#  trans-omega constraint for residue 54
 &rst iat=808,806,804,792, &end
#
#  trans-omega constraint for residue 55
 &rst iat=815,813,811,808, &end
#
#  trans-omega constraint for residue 56
 &rst iat=834,832,830,815, &end
#
#  trans-omega constraint for residue 57
 &rst iat=846,844,842,834, &end
#
#  trans-omega constraint for residue 58
 &rst iat=865,863,861,846, &end
#
#  trans-omega constraint for residue 59
 &rst iat=876,874,872,865, &end
#
#  trans-omega constraint for residue 60
 &rst iat=883,881,879,876, &end
#
#  trans-omega constraint for residue 61
 &rst iat=900,898,896,883, &end
#
#  trans-omega constraint for residue 62
 &rst iat=914,912,910,900, &end
#
#  trans-omega constraint for residue 63
 &rst iat=925,923,921,914, &end
#
#  trans-omega constraint for residue 64
 &rst iat=945,935,933,925, &end
#
#  trans-omega constraint for residue 65
 &rst iat=951,949,947,945, &end
#
#  trans-omega constraint for residue 66
 &rst iat=970,968,966,951, &end
#
#  trans-omega constraint for residue 67
 &rst iat=985,983,981,970, &end
#
#  trans-omega constraint for residue 68
 &rst iat=999,997,995,985, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1019,1017,1015,999, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1033,1031,1029,1019, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1043,1041,1039,1033, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1055,1053,1051,1043, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1067,1065,1063,1055, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1088,1086,1084,1067, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1100,1098,1096,1088, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1116,1114,1112,1100, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1132,1130,1128,1116, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1151,1149,1147,1132, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1162,1160,1158,1151, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1181,1179,1177,1162, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1192,1190,1188,1181, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1199,1197,1195,1192, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1210,1208,1206,1199, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1217,1215,1213,1210, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1233,1231,1229,1217, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1247,1245,1243,1233, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1274,1264,1262,1247, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1288,1278,1276,1274, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1294,1292,1290,1288, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1309,1307,1305,1294, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1333,1331,1329,1309, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1349,1347,1345,1333, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1363,1361,1359,1349, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1380,1378,1376,1363, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1395,1393,1391,1380, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1414,1412,1410,1395, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1434,1432,1430,1414, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1449,1447,1445,1434, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1461,1459,1457,1449, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1485,1483,1481,1461, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1502,1500,1498,1485, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1521,1519,1517,1502, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1536,1534,1532,1521, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1556,1546,1544,1536, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1562,1560,1558,1556, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1574,1572,1570,1562, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1581,1579,1577,1574, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1598,1596,1594,1581, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1609,1607,1605,1598, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1628,1626,1624,1609, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1643,1641,1639,1628, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1659,1657,1655,1643, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1679,1677,1675,1659, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1703,1701,1699,1679, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1717,1715,1713,1703, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1733,1731,1729,1717, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1757,1755,1753,1733, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1764,1762,1760,1757, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1781,1779,1777,1764, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1797,1795,1793,1781, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1819,1817,1815,1797, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1834,1832,1830,1819, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1858,1856,1854,1834, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1874,1872,1870,1858, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1889,1887,1885,1874, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1903,1901,1899,1889, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1922,1920,1918,1903, &end
#
#  trans-omega constraint for residue 128
 &rst iat=1941,1939,1937,1922, &end
#
#  trans-omega constraint for residue 129
 &rst iat=1951,1949,1947,1941, &end
#
#  trans-omega constraint for residue 130
 &rst iat=1973,1971,1969,1951, &end
#
#  trans-omega constraint for residue 131
 &rst iat=1992,1990,1988,1973, &end
#
#   33 THR  HN           33 THR  HB          3.50    (#      0:25  Unique         2.75, 2.85 A
)
 &rst
  ixpk= 0, nxpk= 25, iat= 504, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   34 SER  HN           33 THR  HB          4.50    (#      1:25  Unique         4.08, 4.20 A
)
 &rst
  ixpk= 1, nxpk= 25, iat= 518, 508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 MET  ME           33 THR  HB          3.50    (#      2:25  Unique         2.57, 3.64 A
)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  92,  93,  94,
 &end
#
#   33 THR  HA           33 THR  HB          3.50    (#      5:25  Unique         3.03, 3.04 A
)
 &rst
  ixpk= 5, nxpk= 25, iat= 506, 508, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 THR  MG2          33 THR  HB          2.80    (#      6:25  Unique         2.25, 2.66 A
)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 510, 511, 512,
 &end
#
#    0 AMB  25-2:7        0 AMB  25-1:7      2.80    (#      7:25  Double Ambig
)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 913, 394,
 igr2= 903, 384,
 &end
#
#   61 THR  HA           61 THR  HB          2.80    (#      9:25  Unique         2.36, 2.46 A
)
 &rst
  ixpk= 9, nxpk= 25, iat= 901, 903, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 THR  HN           24 THR  HB          2.80    (#     10:25  Unique         2.44, 2.47 A
)
 &rst
  ixpk= 10, nxpk= 25, iat= 380, 384, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 THR  MG2          24 THR  HB          2.80    (#     11:25  Unique         2.39, 2.64 A
)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 386, 387, 388,
 &end
#
#   55 ILE  QD1          24 THR  HB          3.50    (#     12:25  Unique         2.83, 3.69 A
)
 &rst
  ixpk= 12, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   92 THR  MG2          92 THR  HB          2.80    (#     16:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1354,1355,1356,
 &end
#
#  115 VAL  HN          114 THR  HB          3.50    (#     17:25  Unique         2.44, 2.54 A
)
 &rst
  ixpk= 17, nxpk= 25, iat=1716,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  MG2         114 THR  HB          2.80    (#     19:25  Unique         2.37, 2.64 A
)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1708,1709,1710,
 &end
#
#  114 THR  HN          114 THR  HB          2.80    (#     20:25  Unique         2.32, 2.39 A
)
 &rst
  ixpk= 20, nxpk= 25, iat=1702,1706, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 THR  HA          114 THR  HB          3.50    (#     21:25  Unique         3.05, 3.06 A
)
 &rst
  ixpk= 21, nxpk= 25, iat=1704,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  HA          114 THR  HB          3.50    (#     22:25  Unique         2.47, 2.65 A
)
 &rst
  ixpk= 22, nxpk= 25, iat=1644,1706, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:23     123 VAL  HA          3.50    (#     23:25  Single Ambig
)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#    6 PHE  HE          123 VAL  HA          3.50    (#     24:25  Unique         3.01, 4.36 A
)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 108, 112,
 &end
#
#  126 LEU  HB+         123 VAL  HA          3.50    (#     25:25  Unique         2.99, 4.14 A
)
 &rst
  ixpk= 25, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  123 VAL  HB          123 VAL  HA          3.50    (#     26:25  Unique         3.04, 3.05 A
)
 &rst
  ixpk= 26, nxpk= 25, iat=1861,1859, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB-         123 VAL  HA          3.50    (#     27:25  Unique         2.99, 4.14 A
)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  123 VAL  MGY         123 VAL  HA          2.80    (#     28:25  Unique         2.56, 3.17 A
)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  MGX         123 VAL  HA          2.80    (#     29:25  Unique         2.56, 3.17 A
)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#   45 THR  HN           45 THR  HB          3.50    (#     30:25  Unique         2.46, 2.53 A
)
 &rst
  ixpk= 30, nxpk= 25, iat= 674, 678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  MG2          45 THR  HB          2.80    (#     32:25  Unique         2.38, 2.65 A
)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1, 678, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 680, 681, 682,
 &end
#
#   12 SER  HA           12 SER  HB-         3.50    (#     33:25  Unique         2.26, 2.58 A
)
 &rst
  ixpk= 33, nxpk= 25, iat= 207,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 209, 210,
 &end
#
#   12 SER  HA           12 SER  HB+         3.50    (#     35:25  Unique         2.26, 2.58 A
)
 &rst
  ixpk= 35, nxpk= 25, iat= 207,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 209, 210,
 &end
#
#  123 VAL  HN          119 VAL  HA          5.50    (#     38:25  Unique         3.89, 4.03 A
)
 &rst
  ixpk= 38, nxpk= 25, iat=1857,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:39     119 VAL  HA          3.50    (#     39:25  Single Ambig
)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1784,1767,1768,
 &end
#
#  119 VAL  MGY         119 VAL  HA          2.80    (#     40:25  Unique         2.45, 3.16 A
)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  122 ARG  HB+         119 VAL  HA          3.50    (#     41:25  Unique         2.37, 3.53 A
)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  114 THR  HN          114 THR  HA          3.50    (#     42:25  Unique         2.81, 2.82 A
)
 &rst
  ixpk= 42, nxpk= 25, iat=1702,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HB          114 THR  HA          3.50    (#     43:25  Unique         3.05, 3.06 A
)
 &rst
  ixpk= 43, nxpk= 25, iat=1706,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  MG2         114 THR  HA          2.80    (#     44:25  Unique         2.48, 3.15 A
)
 &rst
  ixpk= 44, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1708,1709,1710,
 &end
#
#  115 VAL  HN          115 VAL  HA          3.50    (#     46:25  Unique         2.82, 2.85 A
)
 &rst
  ixpk= 46, nxpk= 25, iat=1716,1718, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:47     115 VAL  HA          3.50    (#     47:25  Single Ambig
)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1763,1756,
 &end
#
#  118 GLN  HB+         115 VAL  HA          2.80    (#     49:25  Unique         2.40, 3.43 A
)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1767,1768,
 &end
#
#   19 GLU  HB+          34 SER  HB+         2.80    (#     50:25  Unique         2.04, 3.32 A
)
 &rst
  ixpk= 50, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 310, 311,
 igr2= 522, 523,
 &end
#
#    0 AMB  25-2:51     115 VAL  HA          2.80    (#     51:25  Single Ambig
)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 4.29, r4= 5.04,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,1508,
 &end
#
#  114 THR  HN          111 VAL  HA          3.50    (#     53:25  Unique         3.37, 3.49 A
)
 &rst
  ixpk= 53, nxpk= 25, iat=1702,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  HN          111 VAL  HA          3.50    (#     54:25  Unique         2.89, 2.90 A
)
 &rst
  ixpk= 54, nxpk= 25, iat=1642,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 THR  HB          111 VAL  HA          2.80    (#     56:25  Unique         2.47, 2.65 A
)
 &rst
  ixpk= 56, nxpk= 25, iat=1706,1644, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HB          111 VAL  HA          3.50    (#     57:25  Unique         3.02, 3.02 A
)
 &rst
  ixpk= 57, nxpk= 25, iat=1646,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  MGY         111 VAL  HA          2.80    (#     58:25  Unique         2.47, 3.16 A
)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         111 VAL  HA          2.80    (#     59:25  Unique         2.47, 3.16 A
)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#   45 THR  HN           45 THR  HA          3.50    (#     60:25  Unique         2.79, 2.80 A
)
 &rst
  ixpk= 60, nxpk= 25, iat= 674, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           45 THR  HA          3.50    (#     61:25  Unique         2.97, 3.08 A
)
 &rst
  ixpk= 61, nxpk= 25, iat= 717, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HB           45 THR  HA          3.50    (#     62:25  Unique         2.95, 3.04 A
)
 &rst
  ixpk= 62, nxpk= 25, iat= 678, 676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  MB           45 THR  HA          2.80    (#     63:25  Unique         2.59, 3.53 A
)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#   45 THR  MG2          45 THR  HA          2.80    (#     64:25  Unique         2.52, 3.18 A
)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 680, 681, 682,
 &end
#
#   25 LEU  HN           24 THR  HA          3.50    (#     66:25  Unique         3.52, 3.52 A
)
 &rst
  ixpk= 66, nxpk= 25, iat= 394, 382, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 THR  HN           24 THR  HA          2.80    (#     67:25  Unique         2.80, 2.81 A
)
 &rst
  ixpk= 67, nxpk= 25, iat= 380, 382, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 ALA  MB           24 THR  HA          3.50    (#     68:25  Unique         3.92, 4.75 A
)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 424, 425, 426,
 &end
#
#   24 THR  MG2          24 THR  HA          2.80    (#     69:25  Unique         2.49, 3.17 A
)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1, 382, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 386, 387, 388,
 &end
#
#   47 ILE  HN           44 PRO  HA          3.50    (#     70:25  Unique         3.51, 3.54 A
)
 &rst
  ixpk= 70, nxpk= 25, iat= 698, 670, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:72       0 AMB  25-1:72     4.50    (#     72:25  Double Ambig
)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 365, 366, 692, 693, 694,
 igr2= 382, 670,
 &end
#
#   44 PRO  HB+          44 PRO  HA          2.80    (#     73:25  Unique         2.28, 2.53 A
)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 667, 668,
 &end
#
#    0 AMB  25-2:74      44 PRO  HA          3.50    (#     74:25  Single Ambig
)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 702, 664, 665, 664, 665,
 &end
#
#   47 ILE  QD1          44 PRO  HA          2.80    (#     75:25  Unique         2.08, 2.64 A
)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 711, 712, 713,
 &end
#
#  131 SER  HN          131 SER  HB+         3.50    (#     76:25  Unique         2.48, 3.06 A
)
 &rst
  ixpk= 76, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1995,1996,
 &end
#
#  131 SER  HA          131 SER  HB-         2.80    (#     78:25  Unique         2.28, 2.77 A
)
 &rst
  ixpk= 78, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1995,1996,
 &end
#
#   47 ILE  HB           47 ILE  HA          3.50    (#     80:25  Unique         3.03, 3.04 A
)
 &rst
  ixpk= 80, nxpk= 25, iat= 702, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  MB           47 ILE  HA          3.50    (#     81:25  Unique         3.82, 4.65 A
)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 692, 693, 694,
 &end
#
#   57 ILE  HG1-         47 ILE  HA          2.80    (#     82:25  Unique         1.94, 2.85 A
)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 855, 856,
 &end
#
#    0 AMB  25-2:83      47 ILE  HA          4.50    (#     83:25  Single Ambig
)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 711, 712, 713, 755, 756, 757,
 &end
#
#    0 AMB  25-2:84      47 ILE  HA          2.80    (#     84:25  Single Ambig
)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 708, 709, 858, 859, 860,
 &end
#
#  109 LEU  HN          108 SER  HB-         3.50    (#     86:25  Unique         2.75, 3.33 A
)
 &rst
  ixpk= 86, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#  108 SER  HN          108 SER  HB-         3.50    (#     87:25  Unique         2.31, 2.93 A
)
 &rst
  ixpk= 87, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#  108 SER  HN          108 SER  HB+         3.50    (#     91:25  Unique         2.31, 2.93 A
)
 &rst
  ixpk= 91, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#  131 SER  HN          131 SER  HB-         4.50    (#     94:25  Unique         2.48, 3.06 A
)
 &rst
  ixpk= 94, nxpk= 25, iat=1991,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1995,1996,
 &end
#
#   39 SER  HA           39 SER  HB+         2.80    (#     96:25  Unique         2.30, 2.53 A
)
 &rst
  ixpk= 96, nxpk= 25, iat= 583,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 585, 586,
 &end
#
#   40 SER  HN           39 SER  HB+         3.50    (#     97:25  Unique         2.54, 3.28 A
)
 &rst
  ixpk= 97, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 585, 586,
 &end
#
#   39 SER  HA           39 SER  HB-         2.80    (#     99:25  Unique         2.30, 2.53 A
)
 &rst
  ixpk= 99, nxpk= 25, iat= 583,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 585, 586,
 &end
#
#   88 PRO  HD+          88 PRO  HA          3.50    (#    102:25  Unique         3.30, 3.76 A
)
 &rst
  ixpk= 102, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1280,1281,
 &end
#
#   88 PRO  HB+          88 PRO  HA          2.80    (#    103:25  Unique         2.31, 2.54 A
)
 &rst
  ixpk= 103, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1286,1287,
 &end
#
#   88 PRO  HB-          88 PRO  HA          2.80    (#    105:25  Unique         2.31, 2.54 A
)
 &rst
  ixpk= 105, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1286,1287,
 &end
#
#   96 PHE  HE           78 SER  HB-         2.80    (#    107:25  Unique         2.04, 3.77 A
)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1423,1427,
 igr2=1154,1155,
 &end
#
#  127 ILE  HN          127 ILE  HA          3.50    (#    111:25  Unique         2.77, 2.79 A
)
 &rst
  ixpk= 111, nxpk= 25, iat=1921,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:112    127 ILE  HA          3.50    (#    112:25  Single Ambig
)
 &rst
  ixpk= 112, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1972,1940,
 &end
#
#  127 ILE  HB          127 ILE  HA          3.50    (#    113:25  Unique         3.02, 3.03 A
)
 &rst
  ixpk= 113, nxpk= 25, iat=1925,1923, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HG1-        127 ILE  HA          3.50    (#    114:25  Unique         2.35, 2.68 A
)
 &rst
  ixpk= 114, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1931,1932,
 &end
#
#  130 ILE  HG1-        127 ILE  HA          2.80    (#    115:25  Unique         1.98, 2.34 A
)
 &rst
  ixpk= 115, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#  130 ILE  HG1+        127 ILE  HA          3.50    (#    116:25  Unique         1.98, 2.34 A
)
 &rst
  ixpk= 116, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#  127 ILE  HG1+        127 ILE  HA          2.80    (#    117:25  Unique         2.35, 2.68 A
)
 &rst
  ixpk= 117, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1931,1932,
 &end
#
#    0 AMB  25-2:118    127 ILE  HA          2.80    (#    118:25  Single Ambig
)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1927,1928,1929, 465, 466, 467,
 &end
#
#    0 AMB  25-2:119    127 ILE  HA          3.50    (#    119:25  Single Ambig
)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 472, 473, 474,1934,1935,1936,
 &end
#
#   65 ILE  HN           65 ILE  HA          3.50    (#    120:25  Unique         2.79, 2.84 A
)
 &rst
  ixpk= 120, nxpk= 25, iat= 950, 952, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HD           65 ILE  HA          3.50    (#    121:25  Unique         2.70, 5.35 A
)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1006,1014,
 &end
#
#   65 ILE  HB           65 ILE  HA          2.80    (#    122:25  Unique         2.42, 2.48 A
)
 &rst
  ixpk= 122, nxpk= 25, iat= 954, 952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HG1-         65 ILE  HA          2.80    (#    123:25  Unique         2.19, 2.58 A
)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   65 ILE  HG1+         65 ILE  HA          2.80    (#    124:25  Unique         2.19, 2.58 A
)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   43 HIS  HN           42 VAL  HA          2.80    (#    126:25  Unique         2.16, 2.21 A
)
 &rst
  ixpk= 126, nxpk= 25, iat= 643, 629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 SER  HA           42 VAL  HA          3.50    (#    127:25  Unique         2.09, 2.25 A
)
 &rst
  ixpk= 127, nxpk= 25, iat= 207, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 VAL  HB           42 VAL  HA          3.50    (#    128:25  Unique         2.30, 2.85 A
)
 &rst
  ixpk= 128, nxpk= 25, iat= 631, 629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:129      0 AMB  25-1:129    2.80    (#    129:25  Double Ambig
)
 &rst
  ixpk= 129, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 633, 634, 635, 637, 638, 639,1255,1256,1257,1259,
      1260,1261,
 igr2= 629,1154,1155,
 &end
#
#  112 PHE  HN          112 PHE  HA          3.50    (#    134:25  Unique         2.79, 2.80 A
)
 &rst
  ixpk= 134, nxpk= 25, iat=1658,1660, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HB-         112 PHE  HA          3.50    (#    135:25  Unique         2.65, 2.84 A
)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  104 PRO  HB+         112 PHE  HA          2.80    (#    136:25  Unique         2.56, 3.62 A
)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1554,1555,
 &end
#
#  104 PRO  HB-         112 PHE  HA          3.50    (#    137:25  Unique         2.56, 3.62 A
)
 &rst
  ixpk= 137, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#    0 AMB  25-2:138      0 AMB  25-1:138    3.50    (#    138:25  Double Ambig
)
 &rst
  ixpk= 138, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1678,1716, 205,
 igr2=1660, 917, 918,
 &end
#
#    0 AMB  25-2:139      0 AMB  25-1:139    3.50    (#    139:25  Double Ambig
)
 &rst
  ixpk= 139, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 631,1720,
 igr2= 917, 918,1660,
 &end
#
#   41 ARG  HN           40 SER  HB+         3.50    (#    140:25  Unique         2.48, 3.29 A
)
 &rst
  ixpk= 140, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 596, 597,
 &end
#
#   40 SER  HA           40 SER  HB+         2.80    (#    141:25  Unique         2.48, 2.81 A
)
 &rst
  ixpk= 141, nxpk= 25, iat= 594,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 596, 597,
 &end
#
#    0 AMB  25-2:143      0 AMB  25-1:143    4.50    (#    143:25  Double Ambig
)
 &rst
  ixpk= 143, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 583, 193,
 igr2= 917, 918, 917, 918,
 &end
#
#    0 AMB  25-2:145     62 SER  HB-         4.50    (#    145:25  Single Ambig
)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 583, 903,
 igr2= 917, 918,
 &end
#
#   47 ILE  QG2          58 SER  HB+         3.50    (#    150:25  Unique         2.58, 5.01 A
)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 704, 705, 706,
 igr2= 868, 869,
 &end
#
#  107 GLN  HE2+        104 PRO  HA          3.50    (#    152:25  Unique         3.58, 4.38 A
)
 &rst
  ixpk= 152, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1592,1593,
 &end
#
#  107 GLN  HG+         104 PRO  HA          2.80    (#    153:25  Unique         2.03, 2.27 A
)
 &rst
  ixpk= 153, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1587,1588,
 &end
#
#    0 AMB  25-2:154    104 PRO  HA          2.80    (#    154:25  Single Ambig
)
 &rst
  ixpk= 154, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1587,1588,1584,1585,
 &end
#
#  104 PRO  HB+         104 PRO  HA          2.80    (#    155:25  Unique         2.27, 2.64 A
)
 &rst
  ixpk= 155, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1554,1555,
 &end
#
#  111 VAL  MGX         104 PRO  HA          2.80    (#    156:25  Unique         2.89, 5.02 A
)
 &rst
  ixpk= 156, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  104 PRO  HB-         104 PRO  HA          3.50    (#    157:25  Unique         2.27, 2.64 A
)
 &rst
  ixpk= 157, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1554,1555,
 &end
#
#   21 PHE  HN           21 PHE  HA          3.50    (#    158:25  Unique         2.87, 2.89 A
)
 &rst
  ixpk= 158, nxpk= 25, iat= 328, 330, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HD           21 PHE  HA          2.80    (#    159:25  Unique         2.11, 3.44 A
)
 &rst
  ixpk= 159, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 336, 344,
 &end
#
#   21 PHE  HB+          21 PHE  HA          3.50    (#    160:25  Unique         2.41, 2.77 A
)
 &rst
  ixpk= 160, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB-          21 PHE  HA          3.50    (#    161:25  Unique         2.41, 2.77 A
)
 &rst
  ixpk= 161, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#    0 AMB  25-2:162     21 PHE  HA          3.50    (#    162:25  Single Ambig
)
 &rst
  ixpk= 162, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 &end
#
#   55 ILE  QD1          21 PHE  HA          3.50    (#    163:25  Unique         2.53, 3.41 A
)
 &rst
  ixpk= 163, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#    0 AMB  25-2:164     80 CYS  HA          3.50    (#    164:25  Single Ambig
)
 &rst
  ixpk= 164, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1184,1185, 158, 159,
 &end
#
#   80 CYS  HB-          80 CYS  HA          3.50    (#    165:25  Unique         2.45, 2.76 A
)
 &rst
  ixpk= 165, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#    0 AMB  25-2:166     14 ARG  HA          3.50    (#    166:25  Single Ambig
)
 &rst
  ixpk= 166, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 290, 291, 292, 283, 284,
 &end
#
#   14 ARG  HB-          14 ARG  HA          2.80    (#    167:25  Unique         2.33, 2.79 A
)
 &rst
  ixpk= 167, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 231, 232,
 &end
#
#    0 AMB  25-2:168     14 ARG  HA          5.50    (#    168:25  Single Ambig
)
 &rst
  ixpk= 168, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 266, 267, 174, 175,
 &end
#
#   37 LEU  HN            9 LYS  HA          3.50    (#    171:25  Unique         2.77, 2.97 A
)
 &rst
  ixpk= 171, nxpk= 25, iat= 547, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:172      9 LYS  HA          2.80    (#    172:25  Single Ambig
)
 &rst
  ixpk= 172, nxpk= 25, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 551, 552, 149, 150,
 &end
#
#   37 LEU  HG            9 LYS  HA          4.50    (#    173:25  Unique         2.86, 3.50 A
)
 &rst
  ixpk= 173, nxpk= 25, iat= 554, 147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 LYS  HG-           9 LYS  HA          3.50    (#    174:25  Unique         2.34, 2.76 A
)
 &rst
  ixpk= 174, nxpk= 25, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 152, 153,
 &end
#
#   37 LEU  MDX           9 LYS  HA          3.50    (#    175:25  Unique         2.22, 4.43 A
)
 &rst
  ixpk= 175, nxpk= 25, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   58 SER  HN           58 SER  HA          3.50    (#    176:25  Unique         2.70, 2.77 A
)
 &rst
  ixpk= 176, nxpk= 25, iat= 864, 866, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 ARG  HB+          14 ARG  HA          2.80    (#    180:25  Unique         2.33, 2.79 A
)
 &rst
  ixpk= 180, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 231, 232,
 &end
#
#   36 GLY  HN           64 PRO  HA          3.50    (#    181:25  Unique         2.31, 2.82 A
)
 &rst
  ixpk= 181, nxpk= 25, iat= 540, 946, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 ILE  HN           64 PRO  HA          2.80    (#    182:25  Unique         2.23, 2.32 A
)
 &rst
  ixpk= 182, nxpk= 25, iat= 950, 946, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 PRO  HB+          64 PRO  HA          3.50    (#    183:25  Unique         2.29, 2.52 A
)
 &rst
  ixpk= 183, nxpk= 25, iat=  -1, 946, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 943, 944,
 &end
#
#   64 PRO  HB-          64 PRO  HA          2.80    (#    184:25  Unique         2.29, 2.52 A
)
 &rst
  ixpk= 184, nxpk= 25, iat=  -1, 946, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 943, 944,
 &end
#
#   84 VAL  HB           84 VAL  HA          3.50    (#    185:25  Unique         2.99, 3.00 A
)
 &rst
  ixpk= 185, nxpk= 25, iat=1220,1218, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 ASN  HN           84 VAL  HA          2.80    (#    187:25  Unique         1.93, 2.11 A
)
 &rst
  ixpk= 187, nxpk= 25, iat=1232,1218, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 VAL  HN           84 VAL  HA          3.50    (#    188:25  Unique         2.80, 2.90 A
)
 &rst
  ixpk= 188, nxpk= 25, iat=1216,1218, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ALA  MB           15 SER  HA          2.80    (#    189:25  Unique         2.60, 3.46 A
)
 &rst
  ixpk= 189, nxpk= 25, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 300, 301, 302,
 &end
#
#    4 VAL  HN           32 VAL  HA          3.50    (#    190:25  Unique         2.84, 3.12 A
)
 &rst
  ixpk= 190, nxpk= 25, iat=  65, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 THR  HN           32 VAL  HA          2.80    (#    191:25  Unique         2.15, 2.21 A
)
 &rst
  ixpk= 191, nxpk= 25, iat= 504, 490, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  HB           32 VAL  HA          3.50    (#    192:25  Unique         2.32, 2.36 A
)
 &rst
  ixpk= 192, nxpk= 25, iat= 492, 490, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  HB           32 VAL  HA          4.50    (#    193:25  Unique         2.89, 3.98 A
)
 &rst
  ixpk= 193, nxpk= 25, iat=  69, 490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 VAL  MGY          32 VAL  HA          2.80    (#    194:25  Unique         2.37, 3.55 A
)
 &rst
  ixpk= 194, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGX          32 VAL  HA          3.50    (#    195:25  Unique         2.37, 3.55 A
)
 &rst
  ixpk= 195, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#  130 ILE  HN          130 ILE  HA          2.80    (#    196:25  Unique         2.89, 2.90 A
)
 &rst
  ixpk= 196, nxpk= 25, iat=1972,1974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  130 ILE  HB          130 ILE  HA          2.80    (#    197:25  Unique         2.46, 2.47 A
)
 &rst
  ixpk= 197, nxpk= 25, iat=1976,1974, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:198    130 ILE  HA          3.50    (#    198:25  Single Ambig
)
 &rst
  ixpk= 198, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  31,  32,1982,1983,  25,  26,
 &end
#
#  130 ILE  QG2         130 ILE  HA          2.80    (#    199:25  Unique         2.24, 3.00 A
)
 &rst
  ixpk= 199, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1978,1979,1980,
 &end
#
#    0 AMB  25-2:200    130 ILE  HA          4.50    (#    200:25  Single Ambig
)
 &rst
  ixpk= 200, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  25-2:201     57 ILE  HA          3.50    (#    201:25  Single Ambig
)
 &rst
  ixpk= 201, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 889, 890, 886, 887,
 &end
#
#   57 ILE  QG2          57 ILE  HA          2.80    (#    202:25  Unique         2.25, 2.80 A
)
 &rst
  ixpk= 202, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 851, 852, 853,
 &end
#
#    0 AMB  25-2:203     57 ILE  HA          2.80    (#    203:25  Single Ambig
)
 &rst
  ixpk= 203, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 889, 890, 849,
 &end
#
#  116 ARG  HB+         113 ARG  HA          2.80    (#    204:25  Unique         2.48, 3.07 A
)
 &rst
  ixpk= 204, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#  113 ARG  HN          113 ARG  HA          2.80    (#    205:25  Unique         2.79, 2.82 A
)
 &rst
  ixpk= 205, nxpk= 25, iat=1678,1680, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:206    113 ARG  HA          2.80    (#    206:25  Single Ambig
)
 &rst
  ixpk= 206, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1736,1737,1682,1683,
 &end
#
#  113 ARG  HG+         113 ARG  HA          3.50    (#    207:25  Unique         2.28, 2.62 A
)
 &rst
  ixpk= 207, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1685,1686,
 &end
#
#  120 LYS  HN          120 LYS  HA          3.50    (#    208:25  Unique         2.83, 2.85 A
)
 &rst
  ixpk= 208, nxpk= 25, iat=1796,1798, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 VAL  HB          120 LYS  HA          2.80    (#    209:25  Unique         2.57, 2.70 A
)
 &rst
  ixpk= 209, nxpk= 25, iat=1861,1798, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LYS  HG+         120 LYS  HA          3.50    (#    210:25  Unique         2.57, 2.94 A
)
 &rst
  ixpk= 210, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#   33 THR  HN           33 THR  HA          2.80    (#    215:25  Unique         2.88, 2.90 A
)
 &rst
  ixpk= 215, nxpk= 25, iat= 504, 506, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:217     33 THR  HA          3.50    (#    217:25  Single Ambig
)
 &rst
  ixpk= 217, nxpk= 25, iat=  -1, 506, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 508, 522, 523,
 &end
#
#   32 VAL  HB           33 THR  HA          5.50    (#    218:25  Unique         5.53, 5.54 A
)
 &rst
  ixpk= 218, nxpk= 25, iat= 492, 506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ILE  HG1-         57 ILE  HA          3.50    (#    219:25  Unique         2.95, 3.27 A
)
 &rst
  ixpk= 219, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 855, 856,
 &end
#
#   94 GLU  HN           94 GLU  HA          3.50    (#    220:25  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 220, nxpk= 25, iat=1379,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:222     94 GLU  HA          2.80    (#    222:25  Single Ambig
)
 &rst
  ixpk= 222, nxpk= 25, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1386,1387,1383,1384,
 &end
#
#  120 LYS  HB+         120 LYS  HA          2.80    (#    223:25  Unique         2.45, 2.78 A
)
 &rst
  ixpk= 223, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1800,1801,
 &end
#
#  123 VAL  MGX         120 LYS  HA          3.50    (#    224:25  Unique         2.96, 4.30 A
)
 &rst
  ixpk= 224, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  120 LYS  HB-         120 LYS  HA          2.80    (#    225:25  Unique         2.45, 2.78 A
)
 &rst
  ixpk= 225, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1800,1801,
 &end
#
#   93 GLN  HN           92 THR  HA          3.50    (#    227:25  Unique         2.83, 2.91 A
)
 &rst
  ixpk= 227, nxpk= 25, iat=1362,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  HN           92 THR  HA          3.50    (#    228:25  Unique         2.86, 2.95 A
)
 &rst
  ixpk= 228, nxpk= 25, iat=1348,1350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  MG2          92 THR  HA          3.50    (#    229:25  Unique         2.34, 3.55 A
)
 &rst
  ixpk= 229, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1354,1355,1356,
 &end
#
#  131 SER  HN          131 SER  HA          2.80    (#    230:25  Unique         2.37, 2.71 A
)
 &rst
  ixpk= 230, nxpk= 25, iat=1991,1993, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:232    131 SER  HA          3.50    (#    232:25  Single Ambig
)
 &rst
  ixpk= 232, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1927,1928,1929, 465, 466, 467,
 &end
#
#   55 ILE  QG2          55 ILE  HA          2.80    (#    233:25  Unique         2.42, 3.15 A
)
 &rst
  ixpk= 233, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 820, 821, 822,
 &end
#
#  127 ILE  QD1         124 GLU  HA          3.50    (#    234:25  Unique         2.67, 3.88 A
)
 &rst
  ixpk= 234, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1934,1935,1936,
 &end
#
#  124 GLU  HN          124 GLU  HA          2.80    (#    235:25  Unique         2.81, 2.82 A
)
 &rst
  ixpk= 235, nxpk= 25, iat=1873,1875, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HN          124 GLU  HA          3.50    (#    236:25  Unique         3.51, 3.52 A
)
 &rst
  ixpk= 236, nxpk= 25, iat=1888,1875, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HG-         124 GLU  HA          3.50    (#    237:25  Unique         2.43, 2.80 A
)
 &rst
  ixpk= 237, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1880,1881,
 &end
#
#    0 AMB  25-2:238    124 GLU  HA          2.80    (#    238:25  Single Ambig
)
 &rst
  ixpk= 238, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1880,1881,1877,1878,
 &end
#
#    0 AMB  25-2:239    124 GLU  HA          2.80    (#    239:25  Single Ambig
)
 &rst
  ixpk= 239, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1925,1877,1878,
 &end
#
#    0 AMB  25-2:240    124 GLU  HA          2.80    (#    240:25  Single Ambig
)
 &rst
  ixpk= 240, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 &end
#
#   75 VAL  HN            4 VAL  HA          3.50    (#    241:25  Unique         2.91, 3.10 A
)
 &rst
  ixpk= 241, nxpk= 25, iat=1099,  67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  HB            4 VAL  HA          3.50    (#    242:25  Unique         2.46, 2.72 A
)
 &rst
  ixpk= 242, nxpk= 25, iat=  69,  67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 VAL  MGX           4 VAL  HA          3.50    (#    243:25  Unique         1.99, 3.62 A
)
 &rst
  ixpk= 243, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#    5 MET  HN            4 VAL  HA          2.80    (#    244:25  Unique         2.12, 2.17 A
)
 &rst
  ixpk= 244, nxpk= 25, iat=  81,  67, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:245      4 VAL  HA          2.80    (#    245:25  Single Ambig
)
 &rst
  ixpk= 245, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#    4 VAL  MGY           4 VAL  HA          2.80    (#    246:25  Unique         2.44, 3.37 A
)
 &rst
  ixpk= 246, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   96 PHE  HN           95 ILE  HA          2.80    (#    248:25  Unique         2.19, 2.24 A
)
 &rst
  ixpk= 248, nxpk= 25, iat=1413,1396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  HB           95 ILE  HA          3.50    (#    249:25  Unique         2.97, 2.99 A
)
 &rst
  ixpk= 249, nxpk= 25, iat=1398,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 PHE  HD           91 VAL  HA          3.50    (#    250:25  Unique         2.40, 3.85 A
)
 &rst
  ixpk= 250, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1421,1429,
 &end
#
#    0 AMB  25-2:251     91 VAL  HA          3.50    (#    251:25  Single Ambig
)
 &rst
  ixpk= 251, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1332,1348,
 &end
#
#   96 PHE  HB+          91 VAL  HA          3.50    (#    252:25  Unique         3.08, 3.93 A
)
 &rst
  ixpk= 252, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   91 VAL  HB           91 VAL  HA          2.80    (#    253:25  Unique         2.40, 2.55 A
)
 &rst
  ixpk= 253, nxpk= 25, iat=1336,1334, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  MGX          91 VAL  HA          3.50    (#    254:25  Unique         2.25, 3.47 A
)
 &rst
  ixpk= 254, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  MGY          91 VAL  HA          2.80    (#    255:25  Unique         2.25, 3.47 A
)
 &rst
  ixpk= 255, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   56 ASP  HN           55 ILE  HA          2.80    (#    256:25  Unique         2.24, 2.55 A
)
 &rst
  ixpk= 256, nxpk= 25, iat= 833, 816, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   55 ILE  HG1-         55 ILE  HA          3.50    (#    257:25  Unique         2.77, 2.94 A
)
 &rst
  ixpk= 257, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 824, 825,
 &end
#
#   55 ILE  HB           55 ILE  HA          3.50    (#    258:25  Unique         3.02, 3.04 A
)
 &rst
  ixpk= 258, nxpk= 25, iat= 818, 816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HG1+         55 ILE  HA          2.80    (#    259:25  Unique         2.77, 2.94 A
)
 &rst
  ixpk= 259, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#  116 ARG  HN          116 ARG  HA          2.80    (#    260:25  Unique         2.80, 2.81 A
)
 &rst
  ixpk= 260, nxpk= 25, iat=1732,1734, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:261    116 ARG  HA          2.80    (#    261:25  Single Ambig
)
 &rst
  ixpk= 261, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1739,1740,1736,1737,
 &end
#
#    0 AMB  25-2:262    116 ARG  HA          2.80    (#    262:25  Single Ambig
)
 &rst
  ixpk= 262, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1736,1737,1784,
 &end
#
#    0 AMB  25-2:263    116 ARG  HA          4.50    (#    263:25  Single Ambig
)
 &rst
  ixpk= 263, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1786,1787,1788,1790,1791,1792,1551,1552,
 &end
#
#   76 VAL  HN           75 VAL  HA          2.80    (#    264:25  Unique         2.17, 2.22 A
)
 &rst
  ixpk= 264, nxpk= 25, iat=1115,1101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 ILE  HN           75 VAL  HA          3.50    (#    265:25  Unique         2.35, 2.49 A
)
 &rst
  ixpk= 265, nxpk= 25, iat=1394,1101, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 VAL  HB           75 VAL  HA          3.50    (#    266:25  Unique         2.19, 2.33 A
)
 &rst
  ixpk= 266, nxpk= 25, iat=1103,1101, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HB           75 VAL  HA          2.80    (#    267:25  Unique         2.28, 2.59 A
)
 &rst
  ixpk= 267, nxpk= 25, iat=1398,1101, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 VAL  MGX          75 VAL  HA          3.50    (#    268:25  Unique         2.34, 3.60 A
)
 &rst
  ixpk= 268, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  MGY          75 VAL  HA          2.80    (#    269:25  Unique         2.34, 3.60 A
)
 &rst
  ixpk= 269, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HG1-         95 ILE  HA          3.50    (#    270:25  Unique         2.27, 2.74 A
)
 &rst
  ixpk= 270, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#   95 ILE  HN           95 ILE  HA          3.50    (#    271:25  Unique         2.98, 3.00 A
)
 &rst
  ixpk= 271, nxpk= 25, iat=1394,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  QG2          95 ILE  HA          2.80    (#    272:25  Unique         2.59, 3.21 A
)
 &rst
  ixpk= 272, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1400,1401,1402,
 &end
#
#  110 GLU  HG+         110 GLU  HA          2.80    (#    273:25  Unique         2.31, 2.92 A
)
 &rst
  ixpk= 273, nxpk= 25, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1634,1635,
 &end
#
#   17 MET  HN           17 MET  HA          3.50    (#    274:25  Unique         2.84, 2.86 A
)
 &rst
  ixpk= 274, nxpk= 25, iat= 279, 281, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 MET  HG+          17 MET  HA          3.50    (#    275:25  Unique         2.19, 2.68 A
)
 &rst
  ixpk= 275, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 286, 287,
 &end
#
#   17 MET  HG-          17 MET  HA          2.80    (#    276:25  Unique         2.19, 2.68 A
)
 &rst
  ixpk= 276, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 286, 287,
 &end
#
#   17 MET  HB-          17 MET  HA          2.80    (#    277:25  Unique         2.50, 2.80 A
)
 &rst
  ixpk= 277, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 283, 284,
 &end
#
#   50 MET  ME           17 MET  HA          3.50    (#    278:25  Unique         3.37, 4.27 A
)
 &rst
  ixpk= 278, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 755, 756, 757,
 &end
#
#   62 SER  HN           61 THR  HA          2.80    (#    279:25  Unique         2.17, 2.44 A
)
 &rst
  ixpk= 279, nxpk= 25, iat= 913, 901, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 THR  MG2          61 THR  HA          2.80    (#    280:25  Unique         2.27, 3.04 A
)
 &rst
  ixpk= 280, nxpk= 25, iat=  -1, 901, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 905, 906, 907,
 &end
#
#   90 TRP  HN           90 TRP  HA          2.80    (#    281:25  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 281, nxpk= 25, iat=1308,1310, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 TRP  HB-          90 TRP  HA          3.50    (#    282:25  Unique         2.37, 2.75 A
)
 &rst
  ixpk= 282, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1312,1313,
 &end
#
#   76 VAL  MGX          90 TRP  HA          3.50    (#    283:25  Unique         2.50, 4.16 A
)
 &rst
  ixpk= 283, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#  110 GLU  HN          110 GLU  HA          2.80    (#    284:25  Unique         2.77, 2.83 A
)
 &rst
  ixpk= 284, nxpk= 25, iat=1627,1629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HN           51 GLU  HA          3.50    (#    286:25  Unique         2.76, 2.82 A
)
 &rst
  ixpk= 286, nxpk= 25, iat= 761, 763, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HN           51 GLU  HA          2.80    (#    287:25  Unique         2.62, 2.77 A
)
 &rst
  ixpk= 287, nxpk= 25, iat= 814, 763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HG+          51 GLU  HA          3.50    (#    289:25  Unique         2.31, 2.72 A
)
 &rst
  ixpk= 289, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 768, 769,
 &end
#
#    0 AMB  25-2:290     51 GLU  HA          2.80    (#    290:25  Single Ambig
)
 &rst
  ixpk= 290, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 768, 769, 765, 766,
 &end
#
#   35 CYS  HN            7 VAL  HA          3.50    (#    291:25  Unique         2.55, 2.74 A
)
 &rst
  ixpk= 291, nxpk= 25, iat= 529, 120, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 CYS  HN            7 VAL  HA          2.80    (#    292:25  Unique         2.19, 2.26 A
)
 &rst
  ixpk= 292, nxpk= 25, iat= 134, 120, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:293      7 VAL  HA          3.50    (#    293:25  Single Ambig
)
 &rst
  ixpk= 293, nxpk= 25, iat=  -1, 120, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 122,  88,  89,
 &end
#
#    7 VAL  MGY           7 VAL  HA          2.80    (#    294:25  Unique         2.38, 3.20 A
)
 &rst
  ixpk= 294, nxpk= 25, iat=  -1, 120, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGX           7 VAL  HA          3.50    (#    295:25  Unique         2.38, 3.20 A
)
 &rst
  ixpk= 295, nxpk= 25, iat=  -1, 120, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   83 GLY  HN           82 CYS  HA          3.50    (#    296:25  Unique         2.24, 2.75 A
)
 &rst
  ixpk= 296, nxpk= 25, iat=1209,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 CYS  HB+          82 CYS  HA          2.80    (#    298:25  Unique         2.34, 2.74 A
)
 &rst
  ixpk= 298, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1202,1203,
 &end
#
#   90 TRP  HB+          90 TRP  HA          2.80    (#    299:25  Unique         2.37, 2.75 A
)
 &rst
  ixpk= 299, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1312,1313,
 &end
#
#   70 ALA  MB           90 TRP  HA          2.80    (#    300:25  Unique         2.28, 2.69 A
)
 &rst
  ixpk= 300, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   73 TYR  HN           73 TYR  HA          2.80    (#    301:25  Unique         2.90, 2.91 A
)
 &rst
  ixpk= 301, nxpk= 25, iat=1066,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:302      0 AMB  25-1:302    2.80    (#    302:25  Double Ambig
)
 &rst
  ixpk= 302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1074,1083,1332,1348,
 igr2=1068,1310,
 &end
#
#   19 GLU  HN           19 GLU  HA          3.50    (#    303:25  Unique         2.83, 2.86 A
)
 &rst
  ixpk= 303, nxpk= 25, iat= 306, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HE           19 GLU  HA          3.50    (#    304:25  Unique         2.89, 4.79 A
)
 &rst
  ixpk= 304, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 108, 112,
 &end
#
#    6 PHE  HD           19 GLU  HA          3.50    (#    305:25  Unique         3.23, 4.93 A
)
 &rst
  ixpk= 305, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#   32 VAL  HB           19 GLU  HA          4.50    (#    306:25  Unique         4.15, 4.26 A
)
 &rst
  ixpk= 306, nxpk= 25, iat= 492, 308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  MB           19 GLU  HA          3.50    (#    307:25  Unique         2.38, 3.47 A
)
 &rst
  ixpk= 307, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 352, 353, 354,
 &end
#
#   32 VAL  MGY          19 GLU  HA          2.80    (#    308:25  Unique         1.94, 3.50 A
)
 &rst
  ixpk= 308, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGX          19 GLU  HA          4.50    (#    309:25  Unique         1.94, 3.50 A
)
 &rst
  ixpk= 309, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    8 CYS  HB+           8 CYS  HA          3.50    (#    312:25  Unique         2.28, 2.62 A
)
 &rst
  ixpk= 312, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 138, 139,
 &end
#
#    8 CYS  HB-           8 CYS  HA          3.50    (#    313:25  Unique         2.28, 2.62 A
)
 &rst
  ixpk= 313, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 138, 139,
 &end
#
#   12 SER  HB-          12 SER  HA          3.50    (#    315:25  Unique         2.26, 2.58 A
)
 &rst
  ixpk= 315, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 209, 210,
 &end
#
#   12 SER  HB+          12 SER  HA          3.50    (#    316:25  Unique         2.26, 2.58 A
)
 &rst
  ixpk= 316, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 209, 210,
 &end
#
#   42 VAL  HA           12 SER  HA          3.50    (#    317:25  Unique         2.09, 2.25 A
)
 &rst
  ixpk= 317, nxpk= 25, iat= 629, 207, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ASP  HN           73 TYR  HA          2.80    (#    320:25  Unique         2.12, 2.19 A
)
 &rst
  ixpk= 320, nxpk= 25, iat=1087,1068, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 TYR  HB+          73 TYR  HA          2.80    (#    321:25  Unique         2.48, 2.75 A
)
 &rst
  ixpk= 321, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#    0 AMB  25-2:322     73 TYR  HA          3.50    (#    322:25  Single Ambig
)
 &rst
  ixpk= 322, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  53,  54,  50,  51,
 &end
#
#   89 GLU  HG-          89 GLU  HA          3.50    (#    324:25  Unique         2.46, 3.15 A
)
 &rst
  ixpk= 324, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1300,1301,
 &end
#
#   31 ALA  HN           30 ILE  HA          2.80    (#    325:25  Unique         2.31, 2.43 A
)
 &rst
  ixpk= 325, nxpk= 25, iat= 478, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    1 MET  HG+          30 ILE  HA          3.50    (#    326:25  Unique         2.06, 2.54 A
)
 &rst
  ixpk= 326, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#   66 GLU  HN           66 GLU  HA          2.80    (#    329:25  Unique         2.72, 2.79 A
)
 &rst
  ixpk= 329, nxpk= 25, iat= 969, 971, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 GLU  HG-          66 GLU  HA          2.80    (#    330:25  Unique         2.61, 3.11 A
)
 &rst
  ixpk= 330, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 976, 977,
 &end
#
#   52 GLU  HN           52 GLU  HA          2.80    (#    331:25  Unique         2.83, 2.84 A
)
 &rst
  ixpk= 331, nxpk= 25, iat= 776, 778, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HG-          52 GLU  HA          2.80    (#    332:25  Unique         2.37, 2.96 A
)
 &rst
  ixpk= 332, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 783, 784,
 &end
#
#   52 GLU  HB-          52 GLU  HA          2.80    (#    333:25  Unique         2.42, 2.74 A
)
 &rst
  ixpk= 333, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 780, 781,
 &end
#
#   53 VAL  HN           52 GLU  HA          3.50    (#    334:25  Unique         3.51, 3.52 A
)
 &rst
  ixpk= 334, nxpk= 25, iat= 791, 778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HG+          52 GLU  HA          3.50    (#    335:25  Unique         2.37, 2.96 A
)
 &rst
  ixpk= 335, nxpk= 25, iat=  -1, 778, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#   89 GLU  HN           89 GLU  HA          3.50    (#    336:25  Unique         2.76, 2.84 A
)
 &rst
  ixpk= 336, nxpk= 25, iat=1293,1295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 GLU  HB+          89 GLU  HA          2.80    (#    337:25  Unique         2.30, 2.72 A
)
 &rst
  ixpk= 337, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1297,1298,
 &end
#
#   89 GLU  HB-          89 GLU  HA          2.80    (#    338:25  Unique         2.30, 2.72 A
)
 &rst
  ixpk= 338, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1297,1298,
 &end
#
#    0 AMB  25-2:339     30 ILE  HA          4.50    (#    339:25  Single Ambig
)
 &rst
  ixpk= 339, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 482, 483, 484,1982,1983,
 &end
#
#    2 LYS  HN           30 ILE  HA          4.50    (#    340:25  Unique         2.37, 2.99 A
)
 &rst
  ixpk= 340, nxpk= 25, iat=  21, 461, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HN           30 ILE  HA          3.50    (#    341:25  Unique         2.91, 2.94 A
)
 &rst
  ixpk= 341, nxpk= 25, iat= 459, 461, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 ILE  HB           30 ILE  HA          2.80    (#    342:25  Unique         2.22, 2.38 A
)
 &rst
  ixpk= 342, nxpk= 25, iat= 463, 461, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 ILE  QG2          30 ILE  HA          2.80    (#    343:25  Unique         2.31, 3.12 A
)
 &rst
  ixpk= 343, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 465, 466, 467,
 &end
#
#   66 GLU  HB+          66 GLU  HA          2.80    (#    345:25  Unique         2.40, 2.74 A
)
 &rst
  ixpk= 345, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 973, 974,
 &end
#
#   65 ILE  QG2          66 GLU  HA          3.50    (#    346:25  Unique         3.05, 4.18 A
)
 &rst
  ixpk= 346, nxpk= 25, iat=  -1, 971, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 956, 957, 958,
 &end
#
#   23 LYS  HN           23 LYS  HA          2.80    (#    347:25  Unique         2.86, 2.87 A
)
 &rst
  ixpk= 347, nxpk= 25, iat= 358, 360, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 LYS  HB+          23 LYS  HA          2.80    (#    348:25  Unique         2.31, 2.40 A
)
 &rst
  ixpk= 348, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#   23 LYS  HB-          23 LYS  HA          2.80    (#    349:25  Unique         2.31, 2.40 A
)
 &rst
  ixpk= 349, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#   32 VAL  MGX          23 LYS  HA          2.80    (#    350:25  Unique         2.78, 4.74 A
)
 &rst
  ixpk= 350, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:351    121 GLU  HA          4.50    (#    351:25  Single Ambig
)
 &rst
  ixpk= 351, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1873,1857,
 &end
#
#  121 GLU  HN          121 GLU  HA          2.80    (#    352:25  Unique         2.78, 2.81 A
)
 &rst
  ixpk= 352, nxpk= 25, iat=1818,1820, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HB+         121 GLU  HA          4.50    (#    353:25  Unique         2.58, 3.61 A
)
 &rst
  ixpk= 353, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1877,1878,
 &end
#
#  121 GLU  HB+         121 GLU  HA          2.80    (#    354:25  Unique         2.26, 2.64 A
)
 &rst
  ixpk= 354, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1822,1823,
 &end
#
#  125 ASN  HN          122 ARG  HA          3.50    (#    355:25  Unique         2.98, 3.18 A
)
 &rst
  ixpk= 355, nxpk= 25, iat=1888,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 ARG  HN          122 ARG  HA          3.50    (#    356:25  Unique         2.85, 2.87 A
)
 &rst
  ixpk= 356, nxpk= 25, iat=1833,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HB+         122 ARG  HA          2.80    (#    357:25  Unique         2.21, 2.67 A
)
 &rst
  ixpk= 357, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#  122 ARG  HG+         122 ARG  HA          3.50    (#    358:25  Unique         2.49, 2.79 A
)
 &rst
  ixpk= 358, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  122 ARG  HG-         122 ARG  HA          3.50    (#    359:25  Unique         2.49, 2.79 A
)
 &rst
  ixpk= 359, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  122 ARG  HB+         122 ARG  HA          3.50    (#    360:25  Unique         2.37, 2.76 A
)
 &rst
  ixpk= 360, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HB-         122 ARG  HA          2.80    (#    361:25  Unique         2.37, 2.76 A
)
 &rst
  ixpk= 361, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1837,1838,
 &end
#
#  112 PHE  HD          109 LEU  HA          3.50    (#    363:25  Unique         2.56, 4.18 A
)
 &rst
  ixpk= 363, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#  112 PHE  HB+         109 LEU  HA          3.50    (#    364:25  Unique         2.10, 2.89 A
)
 &rst
  ixpk= 364, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  112 PHE  HB-         109 LEU  HA          3.50    (#    365:25  Unique         2.10, 2.89 A
)
 &rst
  ixpk= 365, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  109 LEU  HB-         109 LEU  HA          2.80    (#    366:25  Unique         2.50, 2.78 A
)
 &rst
  ixpk= 366, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1612,1613,
 &end
#
#  109 LEU  MDY         109 LEU  HA          2.80    (#    367:25  Unique         2.14, 3.81 A
)
 &rst
  ixpk= 367, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  118 GLN  HN          118 GLN  HA          2.80    (#    368:25  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 368, nxpk= 25, iat=1763,1765, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 GLU  HN          118 GLN  HA          4.50    (#    369:25  Unique         3.40, 3.65 A
)
 &rst
  ixpk= 369, nxpk= 25, iat=1818,1765, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 GLN  HG+         118 GLN  HA          2.80    (#    370:25  Unique         2.27, 2.94 A
)
 &rst
  ixpk= 370, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1770,1771,
 &end
#
#  118 GLN  HG-         118 GLN  HA          2.80    (#    371:25  Unique         2.27, 2.94 A
)
 &rst
  ixpk= 371, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1770,1771,
 &end
#
#    0 AMB  25-2:372    118 GLN  HA          2.80    (#    372:25  Single Ambig
)
 &rst
  ixpk= 372, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1822,1823,1767,1768,
 &end
#
#  129 LYS  HB+         129 LYS  HA          2.80    (#    373:25  Unique         2.47, 2.76 A
)
 &rst
  ixpk= 373, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1954,1955,
 &end
#
#  129 LYS  HG+         129 LYS  HA          2.80    (#    374:25  Unique         2.55, 2.78 A
)
 &rst
  ixpk= 374, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1957,1958,
 &end
#
#  126 LEU  HN          126 LEU  HA          3.50    (#    375:25  Unique         2.83, 2.85 A
)
 &rst
  ixpk= 375, nxpk= 25, iat=1902,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB+         126 LEU  HA          3.50    (#    376:25  Unique         2.16, 2.42 A
)
 &rst
  ixpk= 376, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#    0 AMB  25-2:377    126 LEU  HA          2.80    (#    377:25  Single Ambig
)
 &rst
  ixpk= 377, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1906,1907,1954,1955,
 &end
#
#    0 AMB  25-2:378    126 LEU  HA          4.50    (#    378:25  Single Ambig
)
 &rst
  ixpk= 378, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1960,1961,1960,1961,
 &end
#
#    0 AMB  25-2:379    126 LEU  HA          4.50    (#    379:25  Single Ambig
)
 &rst
  ixpk= 379, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1957,1958,1909,
 &end
#
#    0 AMB  25-2:380    126 LEU  HA          3.50    (#    380:25  Single Ambig
)
 &rst
  ixpk= 380, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#   40 SER  HN           39 SER  HA          2.80    (#    384:25  Unique         2.06, 2.25 A
)
 &rst
  ixpk= 384, nxpk= 25, iat= 592, 583, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   39 SER  HN           39 SER  HA          3.50    (#    385:25  Unique         2.90, 2.95 A
)
 &rst
  ixpk= 385, nxpk= 25, iat= 581, 583, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 SER  HB+          39 SER  HA          2.80    (#    386:25  Unique         2.30, 2.53 A
)
 &rst
  ixpk= 386, nxpk= 25, iat=  -1, 583, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 585, 586,
 &end
#
#   39 SER  HB-          39 SER  HA          2.80    (#    387:25  Unique         2.30, 2.53 A
)
 &rst
  ixpk= 387, nxpk= 25, iat=  -1, 583, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 585, 586,
 &end
#
#    0 AMB  25-2:388      0 AMB  25-1:388    2.80    (#    388:25  Double Ambig
)
 &rst
  ixpk= 388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 554, 551, 552, 269, 270,
 igr2= 549, 264,
 &end
#
#   65 ILE  QG2          37 LEU  HA          2.80    (#    389:25  Unique         2.14, 3.09 A
)
 &rst
  ixpk= 389, nxpk= 25, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 956, 957, 958,
 &end
#
#   37 LEU  MDY          37 LEU  HA          2.80    (#    390:25  Unique         2.14, 3.87 A
)
 &rst
  ixpk= 390, nxpk= 25, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   35 CYS  HN           34 SER  HA          2.80    (#    391:25  Unique         2.26, 2.35 A
)
 &rst
  ixpk= 391, nxpk= 25, iat= 529, 520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 SER  HN           34 SER  HA          3.50    (#    392:25  Unique         2.93, 2.95 A
)
 &rst
  ixpk= 392, nxpk= 25, iat= 518, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HN           34 SER  HA          3.50    (#    393:25  Unique         2.05, 2.39 A
)
 &rst
  ixpk= 393, nxpk= 25, iat=  98, 520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 SER  HB+          34 SER  HA          3.50    (#    394:25  Unique         2.31, 2.47 A
)
 &rst
  ixpk= 394, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 522, 523,
 &end
#
#   34 SER  HB-          34 SER  HA          3.50    (#    395:25  Unique         2.31, 2.47 A
)
 &rst
  ixpk= 395, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 522, 523,
 &end
#
#   41 ARG  HN           40 SER  HA          3.50    (#    396:25  Unique         2.25, 2.49 A
)
 &rst
  ixpk= 396, nxpk= 25, iat= 603, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 SER  HN           40 SER  HA          3.50    (#    397:25  Unique         2.84, 2.89 A
)
 &rst
  ixpk= 397, nxpk= 25, iat= 592, 594, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 SER  HB+          40 SER  HA          2.80    (#    398:25  Unique         2.48, 2.81 A
)
 &rst
  ixpk= 398, nxpk= 25, iat=  -1, 594, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 596, 597,
 &end
#
#   60 GLN  HE2-         16 GLN  HA          3.50    (#    399:25  Unique         3.12, 3.51 A
)
 &rst
  ixpk= 399, nxpk= 25, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 894, 895,
 &end
#
#   16 GLN  HG+          16 GLN  HA          3.50    (#    400:25  Unique         2.55, 3.18 A
)
 &rst
  ixpk= 400, nxpk= 25, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 269, 270,
 &end
#
#    0 AMB  25-2:401      0 AMB  25-1:401    2.80    (#    401:25  Double Ambig
)
 &rst
  ixpk= 401, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 551, 552, 266, 267,
 igr2= 549, 264,
 &end
#
#   69 ASN  HN           68 PHE  HA          2.80    (#    402:25  Unique         2.48, 2.53 A
)
 &rst
  ixpk= 402, nxpk= 25, iat=1018,1000, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HD           68 PHE  HA          3.50    (#    403:25  Unique         2.72, 3.56 A
)
 &rst
  ixpk= 403, nxpk= 25, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1006,1014,
 &end
#
#   68 PHE  HB+          68 PHE  HA          3.50    (#    404:25  Unique         2.39, 2.73 A
)
 &rst
  ixpk= 404, nxpk= 25, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#   29 LYS  HN           29 LYS  HA          3.50    (#    405:25  Unique         2.96, 2.96 A
)
 &rst
  ixpk= 405, nxpk= 25, iat= 437, 439, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 ILE  HN           29 LYS  HA          4.50    (#    406:25  Unique         3.44, 3.47 A
)
 &rst
  ixpk= 406, nxpk= 25, iat= 459, 439, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:407     29 LYS  HA          2.80    (#    407:25  Single Ambig
)
 &rst
  ixpk= 407, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 441, 442,  15,  16,  17,
 &end
#
#   29 LYS  HB-          29 LYS  HA          2.80    (#    408:25  Unique         2.29, 2.39 A
)
 &rst
  ixpk= 408, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 441, 442,
 &end
#
#   29 LYS  HG+          29 LYS  HA          3.50    (#    409:25  Unique         3.64, 3.97 A
)
 &rst
  ixpk= 409, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 444, 445,
 &end
#
#   68 PHE  HB-          68 PHE  HA          3.50    (#    411:25  Unique         2.39, 2.73 A
)
 &rst
  ixpk= 411, nxpk= 25, iat=  -1,1000, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#   25 LEU  HN           25 LEU  HA          2.80    (#    412:25  Unique         2.86, 2.86 A
)
 &rst
  ixpk= 412, nxpk= 25, iat= 394, 396, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 LEU  MDY          25 LEU  HA          2.80    (#    413:25  Unique         2.22, 3.88 A
)
 &rst
  ixpk= 413, nxpk= 25, iat=  -1, 396, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 403, 404, 405, 407, 408, 409,
 &end
#
#  105 ASP  HN          105 ASP  HA          3.50    (#    414:25  Unique         2.81, 2.83 A
)
 &rst
  ixpk= 414, nxpk= 25, iat=1561,1563, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 GLY  HN          105 ASP  HA          2.80    (#    415:25  Unique         2.13, 2.21 A
)
 &rst
  ixpk= 415, nxpk= 25, iat=1573,1563, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ASP  HB+         105 ASP  HA          3.50    (#    417:25  Unique         2.36, 2.74 A
)
 &rst
  ixpk= 417, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1565,1566,
 &end
#
#  105 ASP  HB-         105 ASP  HA          3.50    (#    418:25  Unique         2.36, 2.74 A
)
 &rst
  ixpk= 418, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1565,1566,
 &end
#
#   97 GLU  HN           96 PHE  HA          2.80    (#    420:25  Unique         2.16, 2.22 A
)
 &rst
  ixpk= 420, nxpk= 25, iat=1433,1415, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 PHE  HD           96 PHE  HA          3.50    (#    421:25  Unique         2.65, 3.55 A
)
 &rst
  ixpk= 421, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1421,1429,
 &end
#
#   96 PHE  HB+          96 PHE  HA          3.50    (#    423:25  Unique         2.42, 2.75 A
)
 &rst
  ixpk= 423, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   77 ILE  HN            6 PHE  HA          3.50    (#    424:25  Unique         2.77, 3.06 A
)
 &rst
  ixpk= 424, nxpk= 25, iat=1131, 100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD            6 PHE  HA          3.50    (#    425:25  Unique         2.81, 3.51 A
)
 &rst
  ixpk= 425, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#    6 PHE  HB-           6 PHE  HA          2.80    (#    426:25  Unique         2.39, 2.71 A
)
 &rst
  ixpk= 426, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 102, 103,
 &end
#
#    0 AMB  25-2:427      0 AMB  25-1:427    2.80    (#    427:25  Double Ambig
)
 &rst
  ixpk= 427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 398, 399, 610, 611,
 igr2= 396, 645,
 &end
#
#    0 AMB  25-2:428      0 AMB  25-1:428    2.80    (#    428:25  Double Ambig
)
 &rst
  ixpk= 428, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 401, 664, 665, 664, 665,
 igr2= 396, 645,
 &end
#
#    0 AMB  25-2:429      0 AMB  25-1:429    3.50    (#    429:25  Double Ambig
)
 &rst
  ixpk= 429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 610, 611, 386, 387, 388,
 igr2= 645, 396,
 &end
#
#   36 GLY  HN           35 CYS  HA          3.50    (#    430:25  Unique         2.41, 2.62 A
)
 &rst
  ixpk= 430, nxpk= 25, iat= 540, 531, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 ASP  HB-          35 CYS  HA          3.50    (#    431:25  Unique         2.97, 4.20 A
)
 &rst
  ixpk= 431, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 928, 929,
 &end
#
#   35 CYS  HB+          35 CYS  HA          2.80    (#    432:25  Unique         2.38, 2.63 A
)
 &rst
  ixpk= 432, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 533, 534,
 &end
#
#   35 CYS  HB-          35 CYS  HA          2.80    (#    433:25  Unique         2.38, 2.63 A
)
 &rst
  ixpk= 433, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 533, 534,
 &end
#
#   49 MET  HN           49 MET  HA          3.50    (#    434:25  Unique         2.81, 2.83 A
)
 &rst
  ixpk= 434, nxpk= 25, iat= 727, 729, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HN           49 MET  HA          4.50    (#    435:25  Unique         3.34, 3.55 A
)
 &rst
  ixpk= 435, nxpk= 25, iat= 776, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 MET  HG+          49 MET  HA          3.50    (#    436:25  Unique         2.85, 3.47 A
)
 &rst
  ixpk= 436, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 734, 735,
 &end
#
#    0 AMB  25-2:437     49 MET  HA          3.50    (#    437:25  Single Ambig
)
 &rst
  ixpk= 437, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 783, 784, 731, 732,
 &end
#
#    0 AMB  25-2:438     49 MET  HA          4.50    (#    438:25  Single Ambig
)
 &rst
  ixpk= 438, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 780, 781, 765, 766, 751, 752,
 &end
#
#   49 MET  ME           49 MET  HA          2.80    (#    439:25  Unique         2.07, 3.26 A
)
 &rst
  ixpk= 439, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 738, 739, 740,
 &end
#
#   49 MET  HB+          49 MET  HA          3.50    (#    440:25  Unique         2.30, 2.78 A
)
 &rst
  ixpk= 440, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#   52 GLU  HG+          49 MET  HA          3.50    (#    441:25  Unique         2.11, 3.05 A
)
 &rst
  ixpk= 441, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#   44 PRO  HD-          43 HIS  HA          2.80    (#    442:25  Unique         2.24, 2.56 A
)
 &rst
  ixpk= 442, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 661, 662,
 &end
#
#    0 AMB  25-2:443     43 HIS  HA          2.80    (#    443:25  Single Ambig
)
 &rst
  ixpk= 443, nxpk= 25, iat=  -1, 645, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 661, 662, 647, 648,
 &end
#
#  102 GLU  HN          102 GLU  HA          2.80    (#    444:25  Unique         2.83, 2.85 A
)
 &rst
  ixpk= 444, nxpk= 25, iat=1520,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 ASP  HN          102 GLU  HA          2.80    (#    445:25  Unique         2.13, 2.21 A
)
 &rst
  ixpk= 445, nxpk= 25, iat=1535,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:446      0 AMB  25-1:446    3.50    (#    446:25  Double Ambig
)
 &rst
  ixpk= 446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 286, 287,1539,1540,
 igr2= 690,1522,
 &end
#
#  102 GLU  HG+         102 GLU  HA          2.80    (#    447:25  Unique         2.42, 2.85 A
)
 &rst
  ixpk= 447, nxpk= 25, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1527,1528,
 &end
#
#    4 VAL  HN            3 LYS  HA          2.80    (#    448:25  Unique         2.04, 2.10 A
)
 &rst
  ixpk= 448, nxpk= 25, iat=  65,  45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 ALA  HN            3 LYS  HA          2.80    (#    449:25  Unique         2.44, 2.53 A
)
 &rst
  ixpk= 449, nxpk= 25, iat= 478,  45, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    3 LYS  HG-           3 LYS  HA          2.80    (#    450:25  Unique         2.31, 2.40 A
)
 &rst
  ixpk= 450, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  50,  51,
 &end
#
#   31 ALA  MB            3 LYS  HA          3.50    (#    451:25  Unique         2.93, 4.06 A
)
 &rst
  ixpk= 451, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 482, 483, 484,
 &end
#
#  125 ASN  HN          125 ASN  HA          2.80    (#    454:25  Unique         2.81, 2.82 A
)
 &rst
  ixpk= 454, nxpk= 25, iat=1888,1890, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HN          125 ASN  HA          3.50    (#    455:25  Unique         3.29, 3.46 A
)
 &rst
  ixpk= 455, nxpk= 25, iat=1940,1890, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HN           60 GLN  HA          3.50    (#    456:25  Unique         2.90, 2.92 A
)
 &rst
  ixpk= 456, nxpk= 25, iat= 882, 884, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HB-         125 ASN  HA          2.80    (#    457:25  Unique         2.54, 2.84 A
)
 &rst
  ixpk= 457, nxpk= 25, iat=  -1,1890, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#    0 AMB  25-2:458     60 GLN  HA          2.80    (#    458:25  Single Ambig
)
 &rst
  ixpk= 458, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 886, 887, 889, 890,
 &end
#
#   60 GLN  HG-          60 GLN  HA          3.50    (#    459:25  Unique         2.41, 3.71 A
)
 &rst
  ixpk= 459, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 890,
 &end
#
#    0 AMB  25-2:460      0 AMB  25-1:460    2.80    (#    460:25  Double Ambig
)
 &rst
  ixpk= 460, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.35, r4= 5.10,
 igr1=  31,  32,  25,  26,1944,1945,1946,
 igr2=  23,1890,
 &end
#
#    3 LYS  HN            2 LYS  HA          2.80    (#    461:25  Unique         2.21, 2.29 A
)
 &rst
  ixpk= 461, nxpk= 25, iat=  43,  23, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   49 MET  HN           46 ALA  HA          3.50    (#    462:25  Unique         3.37, 3.47 A
)
 &rst
  ixpk= 462, nxpk= 25, iat= 727, 690, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  HN           46 ALA  HA          3.50    (#    463:25  Unique         2.82, 2.86 A
)
 &rst
  ixpk= 463, nxpk= 25, iat= 688, 690, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 ALA  MB           22 ALA  HA          2.80    (#    465:25  Unique         2.41, 2.66 A
)
 &rst
  ixpk= 465, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 352, 353, 354,
 &end
#
#   49 MET  HB-          46 ALA  HA          3.50    (#    466:25  Unique         2.32, 3.59 A
)
 &rst
  ixpk= 466, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#    3 LYS  HN            3 LYS  HA          3.50    (#    468:25  Unique         2.84, 2.94 A
)
 &rst
  ixpk= 468, nxpk= 25, iat=  43,  45, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:469      3 LYS  HA          2.80    (#    469:25  Single Ambig
)
 &rst
  ixpk= 469, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  47,  48,  25,  26,
 &end
#
#   74 ASP  HB+          74 ASP  HA          2.80    (#    470:25  Unique         2.44, 2.76 A
)
 &rst
  ixpk= 470, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1091,1092,
 &end
#
#    0 AMB  25-2:471     74 ASP  HA          2.80    (#    471:25  Single Ambig
)
 &rst
  ixpk= 471, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1091,1092,1366,1367,
 &end
#
#  126 LEU  HN          125 ASN  HA          3.50    (#    474:25  Unique         3.56, 3.58 A
)
 &rst
  ixpk= 474, nxpk= 25, iat=1902,1890, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:475      0 AMB  25-1:475    2.80    (#    475:25  Double Ambig
)
 &rst
  ixpk= 475, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  21, 899,
 igr2=   6, 884,
 &end
#
#    1 MET  HB-           1 MET  HA          2.80    (#    476:25  Unique         2.35, 2.74 A
)
 &rst
  ixpk= 476, nxpk= 25, iat=  -1,   6, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   8,   9,
 &end
#
#    0 AMB  25-2:477      0 AMB  25-1:477    4.50    (#    477:25  Double Ambig
)
 &rst
  ixpk= 477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 465, 466, 467,1400,1401,1402,
 igr2=   6,1133,
 &end
#
#   97 GLU  HN           77 ILE  HA          3.50    (#    478:25  Unique         2.54, 2.68 A
)
 &rst
  ixpk= 478, nxpk= 25, iat=1433,1133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 LEU  HN          100 GLN  HA          2.80    (#    479:25  Unique         2.14, 2.20 A
)
 &rst
  ixpk= 479, nxpk= 25, iat=1501,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 GLN  HB+         100 GLN  HA          2.80    (#    480:25  Unique         2.40, 2.75 A
)
 &rst
  ixpk= 480, nxpk= 25, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1488,1489,
 &end
#
#   22 ALA  HN           22 ALA  HA          3.50    (#    481:25  Unique         2.75, 2.78 A
)
 &rst
  ixpk= 481, nxpk= 25, iat= 348, 350, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:482      0 AMB  25-1:482    3.50    (#    482:25  Double Ambig
)
 &rst
  ixpk= 482, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1668,1672, 413,
 igr2= 690, 350,
 &end
#
#    0 AMB  25-2:483     22 ALA  HA          2.80    (#    483:25  Single Ambig
)
 &rst
  ixpk= 483, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 &end
#
#  127 ILE  QD1          22 ALA  HA          2.80    (#    484:25  Unique         2.30, 3.23 A
)
 &rst
  ixpk= 484, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1934,1935,1936,
 &end
#
#   18 ALA  HN           18 ALA  HA          3.50    (#    485:25  Unique         2.78, 2.81 A
)
 &rst
  ixpk= 485, nxpk= 25, iat= 296, 298, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HD           18 ALA  HA          3.50    (#    486:25  Unique         2.16, 4.32 A
)
 &rst
  ixpk= 486, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 336, 344,
 &end
#
#  123 VAL  MGY          18 ALA  HA          2.80    (#    487:25  Unique         2.22, 4.08 A
)
 &rst
  ixpk= 487, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  119 VAL  MGX          18 ALA  HA          2.80    (#    488:25  Unique         2.36, 4.45 A
)
 &rst
  ixpk= 488, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   18 ALA  MB           18 ALA  HA          2.80    (#    489:25  Unique         2.29, 2.64 A
)
 &rst
  ixpk= 489, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 300, 301, 302,
 &end
#
#   79 LEU  HN           78 SER  HA          2.80    (#    492:25  Unique         2.14, 2.22 A
)
 &rst
  ixpk= 492, nxpk= 25, iat=1161,1152, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 SER  HB-          78 SER  HA          3.50    (#    493:25  Unique         2.37, 2.73 A
)
 &rst
  ixpk= 493, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#   63 ASP  HN           62 SER  HA          2.80    (#    494:25  Unique         2.30, 2.40 A
)
 &rst
  ixpk= 494, nxpk= 25, iat= 924, 915, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 SER  HB-          62 SER  HA          3.50    (#    495:25  Unique         2.27, 2.47 A
)
 &rst
  ixpk= 495, nxpk= 25, iat=  -1, 915, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 917, 918,
 &end
#
#   77 ILE  QD1          77 ILE  HA          2.80    (#    497:25  Unique         2.12, 2.90 A
)
 &rst
  ixpk= 497, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1144,1145,1146,
 &end
#
#   77 ILE  QG2          77 ILE  HA          2.80    (#    498:25  Unique         2.45, 3.27 A
)
 &rst
  ixpk= 498, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#    7 VAL  HB           78 SER  HA          2.80    (#    499:25  Unique         2.10, 2.36 A
)
 &rst
  ixpk= 499, nxpk= 25, iat= 122,1152, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:500     10 ARG  HA          2.80    (#    500:25  Single Ambig
)
 &rst
  ixpk= 500, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 171, 172, 570, 571,
 &end
#
#   10 ARG  HG+          10 ARG  HA          3.50    (#    501:25  Unique         3.46, 3.84 A
)
 &rst
  ixpk= 501, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 174, 175,
 &end
#
#   48 ALA  HN           48 ALA  HA          2.80    (#    502:25  Unique         2.75, 2.79 A
)
 &rst
  ixpk= 502, nxpk= 25, iat= 717, 719, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:503     48 ALA  HA          2.80    (#    503:25  Single Ambig
)
 &rst
  ixpk= 503, nxpk= 25, iat=  -1, 719, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 765, 766, 765, 766, 768, 769,
 &end
#
#   48 ALA  MB           48 ALA  HA          2.80    (#    504:25  Unique         2.45, 2.66 A
)
 &rst
  ixpk= 504, nxpk= 25, iat=  -1, 719, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#   47 ILE  QG2          48 ALA  HA          3.50    (#    505:25  Unique         3.48, 4.67 A
)
 &rst
  ixpk= 505, nxpk= 25, iat=  -1, 719, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 704, 705, 706,
 &end
#
#   72 ASP  HB+          72 ASP  HA          2.80    (#    506:25  Unique         2.46, 2.76 A
)
 &rst
  ixpk= 506, nxpk= 25, iat=  -1,1056, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1059,
 &end
#
#   72 ASP  HB-          72 ASP  HA          2.80    (#    507:25  Unique         2.46, 2.76 A
)
 &rst
  ixpk= 507, nxpk= 25, iat=  -1,1056, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1059,
 &end
#
#    0 AMB  25-2:509     50 MET  HA          3.50    (#    509:25  Single Ambig
)
 &rst
  ixpk= 509, nxpk= 25, iat=  -1, 746, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1= 797, 798, 799, 801, 802, 803, 818,
 &end
#
#    0 AMB  25-2:510     71 ASP  HA          3.50    (#    510:25  Single Ambig
)
 &rst
  ixpk= 510, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1054,1066,
 &end
#
#   71 ASP  HN           71 ASP  HA          2.80    (#    511:25  Unique         2.81, 2.82 A
)
 &rst
  ixpk= 511, nxpk= 25, iat=1042,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HE2+         71 ASP  HA          3.50    (#    512:25  Unique         2.75, 4.18 A
)
 &rst
  ixpk= 512, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1374,1375,
 &end
#
#   71 ASP  HB+          71 ASP  HA          2.80    (#    513:25  Unique         2.45, 2.75 A
)
 &rst
  ixpk= 513, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   71 ASP  HB-          71 ASP  HA          2.80    (#    514:25  Unique         2.45, 2.75 A
)
 &rst
  ixpk= 514, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   79 LEU  HB+          79 LEU  HA          3.50    (#    515:25  Unique         2.34, 2.72 A
)
 &rst
  ixpk= 515, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1165,1166,
 &end
#
#   14 ARG  HB-          79 LEU  HA          5.50    (#    516:25  Unique         4.50, 4.91 A
)
 &rst
  ixpk= 516, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 231, 232,
 &end
#
#   79 LEU  HG           79 LEU  HA          3.50    (#    517:25  Unique         2.53, 2.72 A
)
 &rst
  ixpk= 517, nxpk= 25, iat=1168,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 ASP  HN           97 GLU  HA          2.80    (#    518:25  Unique         2.25, 2.33 A
)
 &rst
  ixpk= 518, nxpk= 25, iat=1448,1435, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 GLU  HG-          97 GLU  HA          2.80    (#    519:25  Unique         2.30, 2.74 A
)
 &rst
  ixpk= 519, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1440,1441,
 &end
#
#    0 AMB  25-2:520     97 GLU  HA          2.80    (#    520:25  Single Ambig
)
 &rst
  ixpk= 520, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1440,1441,1437,1438,
 &end
#
#   97 GLU  HB-          97 GLU  HA          2.80    (#    521:25  Unique         2.57, 2.83 A
)
 &rst
  ixpk= 521, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1437,1438,
 &end
#
#    0 AMB  25-2:522    128 ALA  HA          2.80    (#    522:25  Single Ambig
)
 &rst
  ixpk= 522, nxpk= 25, iat=  -1,1942, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1940,1972,
 &end
#
#   70 ALA  HN           70 ALA  HA          3.50    (#    523:25  Unique         2.77, 2.82 A
)
 &rst
  ixpk= 523, nxpk= 25, iat=1032,1034, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:524     70 ALA  HA          5.50    (#    524:25  Single Ambig
)
 &rst
  ixpk= 524, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1066,1054,
 &end
#
#    0 AMB  25-2:525     70 ALA  HA          3.50    (#    525:25  Single Ambig
)
 &rst
  ixpk= 525, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1042,1321,
 &end
#
#   69 ASN  HD2+         70 ALA  HA          4.50    (#    526:25  Unique         4.36, 5.37 A
)
 &rst
  ixpk= 526, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1027,1028,
 &end
#
#   70 ALA  MB           70 ALA  HA          2.80    (#    527:25  Unique         2.38, 2.64 A
)
 &rst
  ixpk= 527, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   39 SER  HN           38 GLU  HA          3.50    (#    529:25  Unique         2.31, 2.39 A
)
 &rst
  ixpk= 529, nxpk= 25, iat= 581, 568, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HG-          38 GLU  HA          4.50    (#    530:25  Unique         4.69, 5.27 A
)
 &rst
  ixpk= 530, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 976, 977,
 &end
#
#    0 AMB  25-2:531     38 GLU  HA          2.80    (#    531:25  Single Ambig
)
 &rst
  ixpk= 531, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 573, 574, 570, 571,
 &end
#
#   38 GLU  HB-          38 GLU  HA          2.80    (#    532:25  Unique         2.49, 2.80 A
)
 &rst
  ixpk= 532, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 570, 571,
 &end
#
#  128 ALA  MB          128 ALA  HA          2.80    (#    533:25  Unique         2.41, 2.66 A
)
 &rst
  ixpk= 533, nxpk= 25, iat=  -1,1942, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1944,1945,1946,
 &end
#
#  127 ILE  QG2         128 ALA  HA          3.50    (#    534:25  Unique         3.44, 4.52 A
)
 &rst
  ixpk= 534, nxpk= 25, iat=  -1,1942, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1927,1928,1929,
 &end
#
#   94 GLU  HN           93 GLN  HA          2.80    (#    544:25  Unique         2.62, 2.76 A
)
 &rst
  ixpk= 544, nxpk= 25, iat=1379,1364, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HN           93 GLN  HA          3.50    (#    545:25  Unique         2.91, 2.96 A
)
 &rst
  ixpk= 545, nxpk= 25, iat=1362,1364, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 GLN  HB+          93 GLN  HA          2.80    (#    546:25  Unique         2.41, 2.76 A
)
 &rst
  ixpk= 546, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   93 GLN  HG-          93 GLN  HA          3.50    (#    547:25  Unique         2.45, 3.44 A
)
 &rst
  ixpk= 547, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1369,1370,
 &end
#
#   28 GLY  HN           27 ALA  HA          3.50    (#    548:25  Unique         2.07, 2.12 A
)
 &rst
  ixpk= 548, nxpk= 25, iat= 430, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 ALA  HN           27 ALA  HA          2.80    (#    549:25  Unique         2.79, 2.81 A
)
 &rst
  ixpk= 549, nxpk= 25, iat= 420, 422, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 ALA  MB           27 ALA  HA          2.80    (#    551:25  Unique         2.44, 2.68 A
)
 &rst
  ixpk= 551, nxpk= 25, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 424, 425, 426,
 &end
#
#  100 GLN  HN           99 TRP  HA          3.50    (#    553:25  Unique         2.06, 2.19 A
)
 &rst
  ixpk= 553, nxpk= 25, iat=1484,1462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HD1          99 TRP  HA          4.50    (#    554:25  Unique         2.39, 2.68 A
)
 &rst
  ixpk= 554, nxpk= 25, iat=1468,1462, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HB+          99 TRP  HA          3.50    (#    555:25  Unique         2.37, 2.74 A
)
 &rst
  ixpk= 555, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1464,1465,
 &end
#
#   99 TRP  HB-          99 TRP  HA          2.80    (#    556:25  Unique         2.37, 2.74 A
)
 &rst
  ixpk= 556, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1464,1465,
 &end
#
#   93 GLN  HG+          93 GLN  HA          3.50    (#    557:25  Unique         2.45, 3.44 A
)
 &rst
  ixpk= 557, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1369,1370,
 &end
#
#   93 GLN  HB-          93 GLN  HA          2.80    (#    558:25  Unique         2.41, 2.76 A
)
 &rst
  ixpk= 558, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#  102 GLU  HN          101 LEU  HA          2.80    (#    560:25  Unique         2.23, 2.33 A
)
 &rst
  ixpk= 560, nxpk= 25, iat=1520,1503, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  101 LEU  HN          101 LEU  HA          3.50    (#    561:25  Unique         2.94, 2.96 A
)
 &rst
  ixpk= 561, nxpk= 25, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 LEU  HB+         101 LEU  HA          2.80    (#    562:25  Unique         2.58, 2.85 A
)
 &rst
  ixpk= 562, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#  101 LEU  MDX         101 LEU  HA          2.80    (#    563:25  Unique         2.13, 3.43 A
)
 &rst
  ixpk= 563, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1510,1511,1512,1514,1515,1516,
 &end
#
#   67 ASN  HN           67 ASN  HA          3.50    (#    564:25  Unique         2.89, 2.92 A
)
 &rst
  ixpk= 564, nxpk= 25, iat= 984, 986, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:565     67 ASN  HA          2.80    (#    565:25  Single Ambig
)
 &rst
  ixpk= 565, nxpk= 25, iat=  -1, 986, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 988, 989, 988, 989,
 &end
#
#   86 LEU  HN           86 LEU  HA          3.50    (#    566:25  Unique         2.67, 2.77 A
)
 &rst
  ixpk= 566, nxpk= 25, iat=1246,1248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 PRO  HD+          86 LEU  HA          2.80    (#    567:25  Unique         2.85, 3.63 A
)
 &rst
  ixpk= 567, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1280,1281,
 &end
#
#   88 PRO  HD-          86 LEU  HA          2.80    (#    568:25  Unique         2.85, 3.63 A
)
 &rst
  ixpk= 568, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1280,1281,
 &end
#
#   86 LEU  HB+          86 LEU  HA          3.50    (#    569:25  Unique         2.36, 2.74 A
)
 &rst
  ixpk= 569, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1250,1251,
 &end
#
#   86 LEU  HB-          86 LEU  HA          2.80    (#    570:25  Unique         2.36, 2.74 A
)
 &rst
  ixpk= 570, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1250,1251,
 &end
#
#   86 LEU  MDX          86 LEU  HA          3.50    (#    571:25  Unique         2.12, 3.81 A
)
 &rst
  ixpk= 571, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#   98 ASP  HB+          98 ASP  HA          3.50    (#    572:25  Unique         2.38, 2.72 A
)
 &rst
  ixpk= 572, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1452,1453,
 &end
#
#   98 ASP  HB-          98 ASP  HA          3.50    (#    573:25  Unique         2.38, 2.72 A
)
 &rst
  ixpk= 573, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1452,1453,
 &end
#
#   99 TRP  HN           98 ASP  HA          2.80    (#    574:25  Unique         2.12, 2.18 A
)
 &rst
  ixpk= 574, nxpk= 25, iat=1460,1450, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 ASP  HN           98 ASP  HA          2.80    (#    575:25  Unique         2.95, 2.95 A
)
 &rst
  ixpk= 575, nxpk= 25, iat=1448,1450, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:576      5 MET  HA          2.80    (#    576:25  Single Ambig
)
 &rst
  ixpk= 576, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 504,  81,
 &end
#
#    6 PHE  HN            5 MET  HA          2.80    (#    577:25  Unique         2.19, 2.24 A
)
 &rst
  ixpk= 577, nxpk= 25, iat=  98,  83, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:578      5 MET  HA          2.80    (#    578:25  Single Ambig
)
 &rst
  ixpk= 578, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  85,  86,  88,  89,
 &end
#
#   64 PRO  HD+          63 ASP  HA          2.80    (#    581:25  Unique         2.28, 2.45 A
)
 &rst
  ixpk= 581, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 937, 938,
 &end
#
#   63 ASP  HB+          63 ASP  HA          3.50    (#    582:25  Unique         2.62, 2.87 A
)
 &rst
  ixpk= 582, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 928, 929,
 &end
#
#   85 ASN  HB-          85 ASN  HA          2.80    (#    583:25  Unique         2.35, 2.77 A
)
 &rst
  ixpk= 583, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1236,1237,
 &end
#
#   85 ASN  HB+          85 ASN  HA          2.80    (#    584:25  Unique         2.35, 2.77 A
)
 &rst
  ixpk= 584, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1236,1237,
 &end
#
#    5 MET  HB-           5 MET  HA          3.50    (#    585:25  Unique         2.31, 2.71 A
)
 &rst
  ixpk= 585, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#   69 ASN  HN           69 ASN  HA          3.50    (#    587:25  Unique         2.90, 2.93 A
)
 &rst
  ixpk= 587, nxpk= 25, iat=1018,1020, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  HN           69 ASN  HA          2.80    (#    588:25  Unique         2.14, 2.21 A
)
 &rst
  ixpk= 588, nxpk= 25, iat=1032,1020, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HB+          69 ASN  HA          2.80    (#    589:25  Unique         2.29, 2.46 A
)
 &rst
  ixpk= 589, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1022,1023,
 &end
#
#   69 ASN  HB-          69 ASN  HA          2.80    (#    590:25  Unique         2.29, 2.46 A
)
 &rst
  ixpk= 590, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1022,1023,
 &end
#
#   70 ALA  MB           69 ASN  HA          4.50    (#    591:25  Unique         4.29, 5.03 A
)
 &rst
  ixpk= 591, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   32 VAL  HN           31 ALA  HA          2.80    (#    592:25  Unique         2.14, 2.23 A
)
 &rst
  ixpk= 592, nxpk= 25, iat= 488, 480, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   31 ALA  MB           31 ALA  HA          2.80    (#    593:25  Unique         2.41, 2.67 A
)
 &rst
  ixpk= 593, nxpk= 25, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 482, 483, 484,
 &end
#
#   32 VAL  MGX          31 ALA  HA          4.50    (#    594:25  Unique         3.38, 5.46 A
)
 &rst
  ixpk= 594, nxpk= 25, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:596     44 PRO  HD-         2.80    (#    596:25  Single Ambig
)
 &rst
  ixpk= 596, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 664, 665, 667, 668,
 igr2= 661, 662,
 &end
#
#    0 AMB  25-2:598      0 AMB  25-1:598    2.80    (#    598:25  Double Ambig
)
 &rst
  ixpk= 598, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 664, 665, 667, 668,
 igr2= 661, 662, 661, 662,
 &end
#
#    0 AMB  25-2:600      0 AMB  25-1:600    3.50    (#    600:25  Double Ambig
)
 &rst
  ixpk= 600, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 943, 944, 988, 989, 988, 989,
 igr2= 937, 938, 937, 938, 937, 938,
 &end
#
#    0 AMB  25-2:603      0 AMB  25-1:603    2.80    (#    603:25  Double Ambig
)
 &rst
  ixpk= 603, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1283,1284,1283,1284,
 igr2=1280,1281,1280,1281,
 &end
#
#  103 ASP  HN          103 ASP  HA          3.50    (#    604:25  Unique         2.41, 2.53 A
)
 &rst
  ixpk= 604, nxpk= 25, iat=1535,1537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 PRO  HD+         103 ASP  HA          2.80    (#    607:25  Unique         2.10, 2.37 A
)
 &rst
  ixpk= 607, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1548,1549,
 &end
#
#  103 ASP  HB+         103 ASP  HA          3.50    (#    608:25  Unique         2.33, 2.73 A
)
 &rst
  ixpk= 608, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1539,1540,
 &end
#
#  103 ASP  HB-         103 ASP  HA          3.50    (#    609:25  Unique         2.33, 2.73 A
)
 &rst
  ixpk= 609, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1539,1540,
 &end
#
#   63 ASP  HA           64 PRO  HD+         2.80    (#    610:25  Unique         2.28, 2.45 A
)
 &rst
  ixpk= 610, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 937, 938,
 &end
#
#    0 AMB  25-2:611      0 AMB  25-1:611    2.80    (#    611:25  Double Ambig
)
 &rst
  ixpk= 611, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 940, 941, 943, 944,
 igr2= 937, 938, 937, 938,
 &end
#
#   88 PRO  HB+          88 PRO  HD+         2.80    (#    612:25  Unique         2.49, 3.55 A
)
 &rst
  ixpk= 612, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1286,1287,
 igr2=1280,1281,
 &end
#
#   86 LEU  HA           88 PRO  HD+         2.80    (#    613:25  Unique         2.85, 3.63 A
)
 &rst
  ixpk= 613, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1280,1281,
 &end
#
#   86 LEU  MDX          88 PRO  HD+         4.50    (#    615:25  Unique         2.62, 5.37 A
)
 &rst
  ixpk= 615, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1280,1281,
 &end
#
#   86 LEU  HA           88 PRO  HD-         2.80    (#    616:25  Unique         2.85, 3.63 A
)
 &rst
  ixpk= 616, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1280,1281,
 &end
#
#   88 PRO  HB+          88 PRO  HD-         2.80    (#    618:25  Unique         2.49, 3.55 A
)
 &rst
  ixpk= 618, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1286,1287,
 igr2=1280,1281,
 &end
#
#   86 LEU  HB-          88 PRO  HD-         3.50    (#    619:25  Unique         2.01, 3.69 A
)
 &rst
  ixpk= 619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1280,1281,
 &end
#
#  103 ASP  HA          104 PRO  HD+         2.80    (#    621:25  Unique         2.10, 2.37 A
)
 &rst
  ixpk= 621, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1548,1549,
 &end
#
#  104 PRO  HG+         104 PRO  HD+         3.50    (#    622:25  Unique         2.30, 2.60 A
)
 &rst
  ixpk= 622, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#  104 PRO  HG-         104 PRO  HD+         3.50    (#    623:25  Unique         2.30, 2.60 A
)
 &rst
  ixpk= 623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1548,1549,
 &end
#
#    0 AMB  25-2:624      0 AMB  25-1:624    2.80    (#    624:25  Double Ambig
)
 &rst
  ixpk= 624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.86, r4= 6.61,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,1554,1555,
 igr2=1548,1549,1548,1549,1548,1549,
 &end
#
#   20 GLY  HN           20 GLY  HA+         3.50    (#    625:25  Unique         2.27, 2.56 A
)
 &rst
  ixpk= 625, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 323, 324,
 &end
#
#   57 ILE  QG2          20 GLY  HA+         3.50    (#    627:25  Unique         3.66, 5.22 A
)
 &rst
  ixpk= 627, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 851, 852, 853,
 igr2= 323, 324,
 &end
#
#   20 GLY  HN           20 GLY  HA-         3.50    (#    628:25  Unique         2.27, 2.56 A
)
 &rst
  ixpk= 628, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 323, 324,
 &end
#
#   57 ILE  QG2          20 GLY  HA-         3.50    (#    630:25  Unique         3.66, 5.22 A
)
 &rst
  ixpk= 630, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 851, 852, 853,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:631      0 AMB  25-1:631    2.80    (#    631:25  Double Ambig
)
 &rst
  ixpk= 631, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1756,1763,
 igr2=1758,1759,1758,1759,
 &end
#
#    0 AMB  25-2:633    117 GLY  HA-         3.50    (#    633:25  Single Ambig
)
 &rst
  ixpk= 633, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1800,1801,1806,1807,
 igr2=1758,1759,
 &end
#
#    0 AMB  25-2:635    117 GLY  HA-         2.80    (#    635:25  Single Ambig
)
 &rst
  ixpk= 635, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1756,1763,
 igr2=1758,1759,
 &end
#
#   54 GLY  HN           54 GLY  HA+         2.80    (#    636:25  Unique         2.36, 2.70 A
)
 &rst
  ixpk= 636, nxpk= 25, iat= 807,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 809, 810,
 &end
#
#   54 GLY  HN           54 GLY  HA-         2.80    (#    637:25  Unique         2.36, 2.70 A
)
 &rst
  ixpk= 637, nxpk= 25, iat= 807,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 809, 810,
 &end
#
#   68 PHE  HE           63 ASP  HB+         3.50    (#    639:25  Unique         2.27, 4.98 A
)
 &rst
  ixpk= 639, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1008,1012,
 igr2= 928, 929,
 &end
#
#   63 ASP  HA           63 ASP  HB+         3.50    (#    640:25  Unique         2.62, 2.87 A
)
 &rst
  ixpk= 640, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 928, 929,
 &end
#
#   68 PHE  HE           63 ASP  HB-         3.50    (#    643:25  Unique         2.27, 4.98 A
)
 &rst
  ixpk= 643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1008,1012,
 igr2= 928, 929,
 &end
#
#  106 GLY  HN          106 GLY  HA-         3.50    (#    648:25  Unique         2.29, 2.66 A
)
 &rst
  ixpk= 648, nxpk= 25, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1575,1576,
 &end
#
#  106 GLY  HN          106 GLY  HA+         3.50    (#    650:25  Unique         2.29, 2.66 A
)
 &rst
  ixpk= 650, nxpk= 25, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1575,1576,
 &end
#
#   29 LYS  HD+          26 GLY  HA+         3.50    (#    652:25  Unique         2.19, 3.08 A
)
 &rst
  ixpk= 652, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 447, 448,
 igr2= 415, 416,
 &end
#
#   26 GLY  HN           26 GLY  HA+         2.80    (#    653:25  Unique         2.29, 2.68 A
)
 &rst
  ixpk= 653, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 415, 416,
 &end
#
#   30 ILE  HG1+         26 GLY  HA+         3.50    (#    654:25  Unique         2.08, 3.18 A
)
 &rst
  ixpk= 654, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 469, 470,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:655      0 AMB  25-1:655    2.80    (#    655:25  Double Ambig
)
 &rst
  ixpk= 655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1934,1935,1936, 472, 473, 474,
 igr2= 415, 416, 415, 416,
 &end
#
#   26 GLY  HN           26 GLY  HA-         2.80    (#    656:25  Unique         2.29, 2.68 A
)
 &rst
  ixpk= 656, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 415, 416,
 &end
#
#   30 ILE  HG1+         26 GLY  HA-         3.50    (#    657:25  Unique         2.08, 3.18 A
)
 &rst
  ixpk= 657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 469, 470,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:658     26 GLY  HA-         2.80    (#    658:25  Single Ambig
)
 &rst
  ixpk= 658, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1934,1935,1936, 472, 473, 474,
 igr2= 415, 416,
 &end
#
#  102 GLU  HN          101 LEU  HB+         3.50    (#    659:25  Unique         2.44, 3.35 A
)
 &rst
  ixpk= 659, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1505,1506,
 &end
#
#  101 LEU  HN          101 LEU  HB+         3.50    (#    660:25  Unique         2.51, 3.11 A
)
 &rst
  ixpk= 660, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1505,1506,
 &end
#
#  101 LEU  HA          101 LEU  HB+         2.80    (#    661:25  Unique         2.58, 2.85 A
)
 &rst
  ixpk= 661, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1505,1506,
 &end
#
#    0 AMB  25-2:662      0 AMB  25-1:662    2.80    (#    662:25  Double Ambig
)
 &rst
  ixpk= 662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.79, r4= 6.54,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,1508,
 igr2=1505,1506,1505,1506,1505,1506,
 &end
#
#   74 ASP  HN           74 ASP  HB+         3.50    (#    663:25  Unique         2.43, 2.58 A
)
 &rst
  ixpk= 663, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HA           74 ASP  HB+         2.80    (#    664:25  Unique         2.44, 2.76 A
)
 &rst
  ixpk= 664, nxpk= 25, iat=1089,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:666      0 AMB  25-1:666    3.50    (#    666:25  Double Ambig
)
 &rst
  ixpk= 666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  25,  26,  31,  32,
 igr2=1091,1092,1091,1092,
 &end
#
#   75 VAL  MGX          74 ASP  HB+         3.50    (#    667:25  Unique         2.15, 5.46 A
)
 &rst
  ixpk= 667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1091,1092,
 &end
#
#    3 LYS  HN           74 ASP  HB-         3.50    (#    668:25  Unique         2.12, 2.65 A
)
 &rst
  ixpk= 668, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HN           74 ASP  HB-         3.50    (#    669:25  Unique         2.43, 2.58 A
)
 &rst
  ixpk= 669, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#   74 ASP  HA           74 ASP  HB-         3.50    (#    670:25  Unique         2.44, 2.76 A
)
 &rst
  ixpk= 670, nxpk= 25, iat=1089,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:672     74 ASP  HB-         3.50    (#    672:25  Single Ambig
)
 &rst
  ixpk= 672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  25,  26,  31,  32,
 igr2=1091,1092,
 &end
#
#   75 VAL  MGX          74 ASP  HB-         3.50    (#    673:25  Unique         2.15, 5.46 A
)
 &rst
  ixpk= 673, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1105,1106,1107,1109,1110,1111,
 igr2=1091,1092,
 &end
#
#   59 GLY  HN           59 GLY  HA+         3.50    (#    674:25  Unique         2.25, 2.56 A
)
 &rst
  ixpk= 674, nxpk= 25, iat= 875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 877, 878,
 &end
#
#   59 GLY  HN           59 GLY  HA-         3.50    (#    677:25  Unique         2.25, 2.56 A
)
 &rst
  ixpk= 677, nxpk= 25, iat= 875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 877, 878,
 &end
#
#    0 AMB  25-2:680      0 AMB  25-1:680    3.50    (#    680:25  Double Ambig
)
 &rst
  ixpk= 680, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1739,1740,1736,1737,
 igr2=1742,1743,1742,1743,
 &end
#
#  116 ARG  HG+         116 ARG  HD+         3.50    (#    681:25  Unique         2.17, 2.54 A
)
 &rst
  ixpk= 681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1739,1740,
 igr2=1742,1743,
 &end
#
#   53 VAL  MGX         116 ARG  HD+         3.50    (#    682:25  Unique         2.30, 4.71 A
)
 &rst
  ixpk= 682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1742,1743,
 &end
#
#   81 GLY  HN           81 GLY  HA+         3.50    (#    684:25  Unique         2.25, 2.64 A
)
 &rst
  ixpk= 684, nxpk= 25, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1193,1194,
 &end
#
#   81 GLY  HN           81 GLY  HA-         3.50    (#    685:25  Unique         2.25, 2.64 A
)
 &rst
  ixpk= 685, nxpk= 25, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1193,1194,
 &end
#
#   37 LEU  HN           36 GLY  HA+         3.50    (#    688:25  Unique         2.24, 2.54 A
)
 &rst
  ixpk= 688, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#   10 ARG  HB-          10 ARG  HD-         2.80    (#    691:25  Unique         2.28, 3.19 A
)
 &rst
  ixpk= 691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 171, 172,
 igr2= 177, 178,
 &end
#
#   10 ARG  HG+          10 ARG  HD-         2.80    (#    692:25  Unique         2.24, 2.64 A
)
 &rst
  ixpk= 692, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 174, 175,
 igr2= 177, 178,
 &end
#
#   49 MET  ME          113 ARG  HD-         2.80    (#    695:25  Unique         3.01, 4.36 A
)
 &rst
  ixpk= 695, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 738, 739, 740,
 igr2=1688,1689,
 &end
#
#   41 ARG  HB+          41 ARG  HD+         2.80    (#    697:25  Unique         2.34, 3.15 A
)
 &rst
  ixpk= 697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 607, 608,
 igr2= 613, 614,
 &end
#
#   41 ARG  HB-          41 ARG  HD+         2.80    (#    698:25  Unique         2.34, 3.15 A
)
 &rst
  ixpk= 698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 607, 608,
 igr2= 613, 614,
 &end
#
#   41 ARG  HG-          41 ARG  HD+         2.80    (#    699:25  Unique         2.27, 2.67 A
)
 &rst
  ixpk= 699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 610, 611,
 igr2= 613, 614,
 &end
#
#   41 ARG  HG+          41 ARG  HD+         2.80    (#    700:25  Unique         2.27, 2.67 A
)
 &rst
  ixpk= 700, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 610, 611,
 igr2= 613, 614,
 &end
#
#   98 ASP  HN           98 ASP  HB+         3.50    (#    705:25  Unique         2.51, 2.99 A
)
 &rst
  ixpk= 705, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1452,1453,
 &end
#
#   98 ASP  HN           98 ASP  HB-         3.50    (#    707:25  Unique         2.51, 2.99 A
)
 &rst
  ixpk= 707, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1452,1453,
 &end
#
#   96 PHE  HE           98 ASP  HB-         2.80    (#    708:25  Unique         2.60, 4.41 A
)
 &rst
  ixpk= 708, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1423,1427,
 igr2=1452,1453,
 &end
#
#   98 ASP  HA           98 ASP  HB-         3.50    (#    709:25  Unique         2.38, 2.72 A
)
 &rst
  ixpk= 709, nxpk= 25, iat=1450,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1452,1453,
 &end
#
#   69 ASN  HN           68 PHE  HB+         3.50    (#    711:25  Unique         1.90, 2.53 A
)
 &rst
  ixpk= 711, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#    0 AMB  25-2:712      0 AMB  25-1:712    3.50    (#    712:25  Double Ambig
)
 &rst
  ixpk= 712, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1321,1006,1014,
 igr2=1002,1003,1002,1003,
 &end
#
#   68 PHE  HA           68 PHE  HB+         3.50    (#    713:25  Unique         2.39, 2.73 A
)
 &rst
  ixpk= 713, nxpk= 25, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#    0 AMB  25-2:714     68 PHE  HB-         2.80    (#    714:25  Single Ambig
)
 &rst
  ixpk= 714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1321,1006,1014,
 igr2=1002,1003,
 &end
#
#   98 ASP  HA           98 ASP  HB+         3.50    (#    715:25  Unique         2.38, 2.72 A
)
 &rst
  ixpk= 715, nxpk= 25, iat=1450,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1452,1453,
 &end
#
#   79 LEU  HA           79 LEU  HB+         3.50    (#    716:25  Unique         2.34, 2.72 A
)
 &rst
  ixpk= 716, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1165,1166,
 &end
#
#   14 ARG  HB-          79 LEU  HB+         3.50    (#    717:25  Unique         2.17, 2.78 A
)
 &rst
  ixpk= 717, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 231, 232,
 igr2=1165,1166,
 &end
#
#   79 LEU  HG           79 LEU  HB+         3.50    (#    719:25  Unique         2.49, 2.81 A
)
 &rst
  ixpk= 719, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1165,1166,
 &end
#
#   14 ARG  HB-          79 LEU  HB-         3.50    (#    721:25  Unique         2.17, 2.78 A
)
 &rst
  ixpk= 721, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 231, 232,
 igr2=1165,1166,
 &end
#
#  122 ARG  HG-         122 ARG  HD-         3.50    (#    725:25  Unique         2.32, 2.76 A
)
 &rst
  ixpk= 725, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#   96 PHE  HD           96 PHE  HB+         2.80    (#    727:25  Unique         2.42, 3.09 A
)
 &rst
  ixpk= 727, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1421,1429,
 igr2=1417,1418,
 &end
#
#   96 PHE  HA           96 PHE  HB+         3.50    (#    728:25  Unique         2.42, 2.75 A
)
 &rst
  ixpk= 728, nxpk= 25, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   96 PHE  HN           96 PHE  HB-         3.50    (#    732:25  Unique         2.85, 3.19 A
)
 &rst
  ixpk= 732, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   96 PHE  HD           96 PHE  HB-         2.80    (#    733:25  Unique         2.42, 3.09 A
)
 &rst
  ixpk= 733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1421,1429,
 igr2=1417,1418,
 &end
#
#  127 ILE  HN          126 LEU  HB+         3.50    (#    735:25  Unique         3.45, 3.93 A
)
 &rst
  ixpk= 735, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  126 LEU  HN          126 LEU  HB+         2.80    (#    736:25  Unique         2.08, 2.90 A
)
 &rst
  ixpk= 736, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1906,1907,
 &end
#
#  126 LEU  HA          126 LEU  HB+         3.50    (#    737:25  Unique         2.16, 2.42 A
)
 &rst
  ixpk= 737, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  123 VAL  HA          126 LEU  HB+         3.50    (#    738:25  Unique         2.99, 4.14 A
)
 &rst
  ixpk= 738, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  126 LEU  HG          126 LEU  HB+         3.50    (#    740:25  Unique         2.54, 2.83 A
)
 &rst
  ixpk= 740, nxpk= 25, iat=1909,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#    0 AMB  25-2:741      0 AMB  25-1:741    2.80    (#    741:25  Double Ambig
)
 &rst
  ixpk= 741, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 igr2=1906,1907,1906,1907,
 &end
#
#  122 ARG  HG+         122 ARG  HD-         3.50    (#    742:25  Unique         2.32, 2.76 A
)
 &rst
  ixpk= 742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#  122 ARG  HB+         122 ARG  HD-         3.50    (#    745:25  Unique         2.26, 2.91 A
)
 &rst
  ixpk= 745, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  122 ARG  HG+         122 ARG  HD+         3.50    (#    747:25  Unique         2.32, 2.76 A
)
 &rst
  ixpk= 747, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1840,1841,
 igr2=1843,1844,
 &end
#
#  122 ARG  HB+         122 ARG  HD+         3.50    (#    748:25  Unique         2.26, 2.91 A
)
 &rst
  ixpk= 748, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  126 LEU  HN          126 LEU  HB-         3.50    (#    749:25  Unique         2.08, 2.90 A
)
 &rst
  ixpk= 749, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#    0 AMB  25-2:750      0 AMB  25-1:750    3.50    (#    750:25  Double Ambig
)
 &rst
  ixpk= 750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1473,1833,
 igr2=1906,1907,1843,1844,
 &end
#
#  126 LEU  HA          126 LEU  HB-         3.50    (#    751:25  Unique         2.16, 2.42 A
)
 &rst
  ixpk= 751, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#    0 AMB  25-2:753      0 AMB  25-1:753    2.80    (#    753:25  Double Ambig
)
 &rst
  ixpk= 753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.48, r4= 6.23,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,1840,1841,
 igr2=1906,1907,1843,1844,
 &end
#
#   31 ALA  HN           30 ILE  HB          2.80    (#    754:25  Unique         2.14, 2.24 A
)
 &rst
  ixpk= 754, nxpk= 25, iat= 478, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 ILE  HA           30 ILE  HB          2.80    (#    755:25  Unique         2.22, 2.38 A
)
 &rst
  ixpk= 755, nxpk= 25, iat= 461, 463, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 ILE  HG1-         30 ILE  HB          2.80    (#    756:25  Unique         2.42, 2.81 A
)
 &rst
  ixpk= 756, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 469, 470,
 &end
#
#   30 ILE  HG1+         30 ILE  HB          3.50    (#    757:25  Unique         2.42, 2.81 A
)
 &rst
  ixpk= 757, nxpk= 25, iat=  -1, 463, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 469, 470,
 &end
#
#   25 LEU  HN           25 LEU  HB+         3.50    (#    758:25  Unique         2.31, 2.94 A
)
 &rst
  ixpk= 758, nxpk= 25, iat= 394,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 398, 399,
 &end
#
#   25 LEU  HG           25 LEU  HB+         2.80    (#    759:25  Unique         2.56, 2.82 A
)
 &rst
  ixpk= 759, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 398, 399,
 &end
#
#  127 ILE  QD1          25 LEU  HB+         3.50    (#    760:25  Unique         2.46, 2.95 A
)
 &rst
  ixpk= 760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1934,1935,1936,
 igr2= 398, 399,
 &end
#
#   25 LEU  HA           25 LEU  HB+         3.50    (#    761:25  Unique         2.50, 2.77 A
)
 &rst
  ixpk= 761, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 398, 399,
 &end
#
#    0 AMB  25-2:763      0 AMB  25-1:763    2.80    (#    763:25  Double Ambig
)
 &rst
  ixpk= 763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 igr2= 398, 399, 398, 399,
 &end
#
#   25 LEU  HA           25 LEU  HB-         2.80    (#    764:25  Unique         2.50, 2.77 A
)
 &rst
  ixpk= 764, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 398, 399,
 &end
#
#   25 LEU  HG           25 LEU  HB-         3.50    (#    765:25  Unique         2.56, 2.82 A
)
 &rst
  ixpk= 765, nxpk= 25, iat= 401,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 398, 399,
 &end
#
#    0 AMB  25-2:766     25 LEU  HB-         2.80    (#    766:25  Single Ambig
)
 &rst
  ixpk= 766, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 igr2= 398, 399,
 &end
#
#    0 AMB  25-2:768      0 AMB  25-1:768    2.80    (#    768:25  Double Ambig
)
 &rst
  ixpk= 768, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1= 441, 442, 365, 366, 368, 369, 447, 448,
 igr2= 450, 451, 371, 372, 371, 372, 450, 451,
 &end
#
#   29 LYS  HG+          29 LYS  HE+         2.80    (#    769:25  Unique         2.18, 3.64 A
)
 &rst
  ixpk= 769, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 444, 445,
 igr2= 450, 451,
 &end
#
#   27 ALA  MB           23 LYS  HE+         4.50    (#    771:25  Unique         5.06, 6.50 A
)
 &rst
  ixpk= 771, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 424, 425, 426,
 igr2= 371, 372,
 &end
#
#    0 AMB  25-2:772      0 AMB  25-1:772    3.50    (#    772:25  Double Ambig
)
 &rst
  ixpk= 772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 465, 466, 467,1927,1928,1929,
 igr2= 450, 451, 450, 451,
 &end
#
#  120 LYS  HD-         120 LYS  HE+         2.80    (#    777:25  Unique         2.35, 2.63 A
)
 &rst
  ixpk= 777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1806,1807,
 igr2=1809,1810,
 &end
#
#  120 LYS  HG+         120 LYS  HE+         3.50    (#    778:25  Unique         2.49, 3.51 A
)
 &rst
  ixpk= 778, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1809,1810,
 &end
#
#    0 AMB  25-2:780      0 AMB  25-1:780    2.80    (#    780:25  Double Ambig
)
 &rst
  ixpk= 780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1=1806,1807, 482, 483, 484,
 igr2=1809,1810,  56,  57,
 &end
#
#  120 LYS  HG+         120 LYS  HE-         4.50    (#    781:25  Unique         2.49, 3.51 A
)
 &rst
  ixpk= 781, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1803,1804,
 igr2=1809,1810,
 &end
#
#  120 LYS  HG-         120 LYS  HE-         3.50    (#    782:25  Unique         2.49, 3.51 A
)
 &rst
  ixpk= 782, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1809,1810,
 &end
#
#   25 LEU  HN           25 LEU  HB-         3.50    (#    785:25  Unique         2.31, 2.94 A
)
 &rst
  ixpk= 785, nxpk= 25, iat= 394,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 398, 399,
 &end
#
#  127 ILE  QD1          25 LEU  HB-         3.50    (#    786:25  Unique         2.46, 2.95 A
)
 &rst
  ixpk= 786, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1934,1935,1936,
 igr2= 398, 399,
 &end
#
#    3 LYS  HB-           3 LYS  HE+         3.50    (#    789:25  Unique         2.26, 4.44 A
)
 &rst
  ixpk= 789, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  47,  48,
 igr2=  56,  57,
 &end
#
#    3 LYS  HD+           3 LYS  HE+         2.80    (#    790:25  Unique         2.45, 2.76 A
)
 &rst
  ixpk= 790, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  53,  54,
 igr2=  56,  57,
 &end
#
#  105 ASP  HN          105 ASP  HB+         4.50    (#    791:25  Unique         2.24, 2.49 A
)
 &rst
  ixpk= 791, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#  105 ASP  HA          105 ASP  HB+         3.50    (#    792:25  Unique         2.36, 2.74 A
)
 &rst
  ixpk= 792, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#  105 ASP  HN          105 ASP  HB-         2.80    (#    793:25  Unique         2.24, 2.49 A
)
 &rst
  ixpk= 793, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1565,1566,
 &end
#
#  103 ASP  HN          103 ASP  HB+         2.80    (#    794:25  Unique         2.24, 2.61 A
)
 &rst
  ixpk= 794, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1539,1540,
 &end
#
#  103 ASP  HN          103 ASP  HB-         3.50    (#    795:25  Unique         2.24, 2.61 A
)
 &rst
  ixpk= 795, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1539,1540,
 &end
#
#  103 ASP  HA          103 ASP  HB-         3.50    (#    796:25  Unique         2.33, 2.73 A
)
 &rst
  ixpk= 796, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1539,1540,
 &end
#
#  105 ASP  HA          105 ASP  HB-         3.50    (#    797:25  Unique         2.36, 2.74 A
)
 &rst
  ixpk= 797, nxpk= 25, iat=1563,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#    6 PHE  HD            6 PHE  HB-         3.50    (#    798:25  Unique         2.36, 3.08 A
)
 &rst
  ixpk= 798, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 114,
 igr2= 102, 103,
 &end
#
#   95 ILE  HN           95 ILE  HB          3.50    (#    799:25  Unique         2.53, 2.59 A
)
 &rst
  ixpk= 799, nxpk= 25, iat=1394,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 VAL  HA           95 ILE  HB          2.80    (#    800:25  Unique         2.28, 2.59 A
)
 &rst
  ixpk= 800, nxpk= 25, iat=1101,1398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:801     95 ILE  HB          3.50    (#    801:25  Single Ambig
)
 &rst
  ixpk= 801, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1105,1106,1107,1109,1110,1111,1400,1401,1402,1407,
      1408,1409,
 &end
#
#  109 LEU  HN          109 LEU  HB+         3.50    (#    804:25  Unique         2.45, 3.05 A
)
 &rst
  ixpk= 804, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  HA          109 LEU  HB+         3.50    (#    805:25  Unique         2.50, 2.78 A
)
 &rst
  ixpk= 805, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  MDX         109 LEU  HB+         2.80    (#    807:25  Unique         2.43, 3.33 A
)
 &rst
  ixpk= 807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#  109 LEU  MDY         109 LEU  HB+         3.50    (#    808:25  Unique         2.43, 3.33 A
)
 &rst
  ixpk= 808, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#  109 LEU  HA          109 LEU  HB-         3.50    (#    809:25  Unique         2.50, 2.78 A
)
 &rst
  ixpk= 809, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  109 LEU  MDX         109 LEU  HB-         2.80    (#    811:25  Unique         2.43, 3.33 A
)
 &rst
  ixpk= 811, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#    0 AMB  25-2:812      0 AMB  25-1:812    3.50    (#    812:25  Double Ambig
)
 &rst
  ixpk= 812, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 833, 864,
 igr2= 837, 838, 837, 838,
 &end
#
#    0 AMB  25-2:814     56 ASP  HB-         3.50    (#    814:25  Single Ambig
)
 &rst
  ixpk= 814, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 833, 864,
 igr2= 837, 838,
 &end
#
#  109 LEU  MDY         109 LEU  HB-         2.80    (#    815:25  Unique         2.43, 3.33 A
)
 &rst
  ixpk= 815, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1612,1613,
 &end
#
#   55 ILE  HG1-         55 ILE  HB          2.80    (#    816:25  Unique         2.63, 2.84 A
)
 &rst
  ixpk= 816, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 824, 825,
 &end
#
#   50 MET  ME           55 ILE  HB          3.50    (#    817:25  Unique         2.23, 3.06 A
)
 &rst
  ixpk= 817, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 755, 756, 757,
 &end
#
#   55 ILE  HN           55 ILE  HB          3.50    (#    818:25  Unique         2.43, 2.57 A
)
 &rst
  ixpk= 818, nxpk= 25, iat= 814, 818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 MET  HB-          55 ILE  HB          3.50    (#    819:25  Unique         2.21, 3.12 A
)
 &rst
  ixpk= 819, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 748, 749,
 &end
#
#   55 ILE  HG1+         55 ILE  HB          3.50    (#    820:25  Unique         2.63, 2.84 A
)
 &rst
  ixpk= 820, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HB          2.80    (#    821:25  Unique         2.34, 2.96 A
)
 &rst
  ixpk= 821, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 827, 828, 829,
 &end
#
#   55 ILE  QG2          55 ILE  HB          2.80    (#    822:25  Unique         2.40, 2.68 A
)
 &rst
  ixpk= 822, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 820, 821, 822,
 &end
#
#   37 LEU  HA           37 LEU  HB+         3.50    (#    824:25  Unique         2.52, 2.79 A
)
 &rst
  ixpk= 824, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   37 LEU  HA           37 LEU  HB-         2.80    (#    826:25  Unique         2.52, 2.79 A
)
 &rst
  ixpk= 826, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDX          37 LEU  HB-         2.80    (#    828:25  Unique         2.38, 3.33 A
)
 &rst
  ixpk= 828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   37 LEU  MDY          37 LEU  HB-         3.50    (#    829:25  Unique         2.38, 3.33 A
)
 &rst
  ixpk= 829, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   86 LEU  HN           86 LEU  HB+         3.50    (#    830:25  Unique         2.18, 3.06 A
)
 &rst
  ixpk= 830, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   91 VAL  MGY          86 LEU  HB+         3.50    (#    833:25  Unique         2.16, 4.77 A
)
 &rst
  ixpk= 833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1250,1251,
 &end
#
#   86 LEU  HA           86 LEU  HB-         3.50    (#    834:25  Unique         2.36, 2.74 A
)
 &rst
  ixpk= 834, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#    0 AMB  25-2:835     86 LEU  HB-         3.50    (#    835:25  Single Ambig
)
 &rst
  ixpk= 835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1280,1281,1312,1313,
 igr2=1250,1251,
 &end
#
#   86 LEU  HG           86 LEU  HB-         3.50    (#    836:25  Unique         2.37, 2.76 A
)
 &rst
  ixpk= 836, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  MDY          86 LEU  HB-         3.50    (#    839:25  Unique         2.31, 3.33 A
)
 &rst
  ixpk= 839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   86 LEU  MDX          86 LEU  HB-         3.50    (#    840:25  Unique         2.31, 3.33 A
)
 &rst
  ixpk= 840, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1250,1251,
 &end
#
#   71 ASP  HN           71 ASP  HB+         3.50    (#    841:25  Unique         2.44, 2.46 A
)
 &rst
  ixpk= 841, nxpk= 25, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1046,1047,
 &end
#
#   71 ASP  HA           71 ASP  HB+         2.80    (#    842:25  Unique         2.45, 2.75 A
)
 &rst
  ixpk= 842, nxpk= 25, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#   71 ASP  HN           71 ASP  HB-         2.80    (#    843:25  Unique         2.44, 2.46 A
)
 &rst
  ixpk= 843, nxpk= 25, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#   71 ASP  HA           71 ASP  HB-         2.80    (#    844:25  Unique         2.45, 2.75 A
)
 &rst
  ixpk= 844, nxpk= 25, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1046,1047,
 &end
#
#    0 AMB  25-2:845     72 ASP  HB-         3.50    (#    845:25  Single Ambig
)
 &rst
  ixpk= 845, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1054,1066,
 igr2=1058,1059,
 &end
#
#   72 ASP  HA           72 ASP  HB-         2.80    (#    846:25  Unique         2.46, 2.76 A
)
 &rst
  ixpk= 846, nxpk= 25, iat=1056,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1058,1059,
 &end
#
#   37 LEU  MDX          37 LEU  HB+         2.80    (#    847:25  Unique         2.38, 3.33 A
)
 &rst
  ixpk= 847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   85 ASN  HA           85 ASN  HB-         3.50    (#    848:25  Unique         2.35, 2.77 A
)
 &rst
  ixpk= 848, nxpk= 25, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1236,1237,
 &end
#
#    0 AMB  25-2:849      0 AMB  25-1:849    2.80    (#    849:25  Double Ambig
)
 &rst
  ixpk= 849, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1066,1054,
 igr2=1070,1071,1058,1059,
 &end
#
#   72 ASP  HA           72 ASP  HB+         2.80    (#    850:25  Unique         2.46, 2.76 A
)
 &rst
  ixpk= 850, nxpk= 25, iat=1056,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1058,1059,
 &end
#
#   85 ASN  HA           85 ASN  HB+         3.50    (#    852:25  Unique         2.35, 2.77 A
)
 &rst
  ixpk= 852, nxpk= 25, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1236,1237,
 &end
#
#  112 PHE  HN          112 PHE  HB+         3.50    (#    854:25  Unique         2.13, 2.83 A
)
 &rst
  ixpk= 854, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HD          112 PHE  HB+         3.50    (#    855:25  Unique         2.37, 3.07 A
)
 &rst
  ixpk= 855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1666,1674,
 igr2=1662,1663,
 &end
#
#  109 LEU  HA          112 PHE  HB+         3.50    (#    856:25  Unique         2.10, 2.89 A
)
 &rst
  ixpk= 856, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HA          112 PHE  HB+         3.50    (#    857:25  Unique         2.65, 2.84 A
)
 &rst
  ixpk= 857, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#   73 TYR  HN           73 TYR  HB+         3.50    (#    860:25  Unique         2.30, 3.02 A
)
 &rst
  ixpk= 860, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#   73 TYR  HD           73 TYR  HB+         3.50    (#    861:25  Unique         2.38, 3.09 A
)
 &rst
  ixpk= 861, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1074,1083,
 igr2=1070,1071,
 &end
#
#   73 TYR  HA           73 TYR  HB+         3.50    (#    862:25  Unique         2.48, 2.75 A
)
 &rst
  ixpk= 862, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1070,1071,
 &end
#
#  112 PHE  HN          112 PHE  HB-         3.50    (#    863:25  Unique         2.13, 2.83 A
)
 &rst
  ixpk= 863, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  112 PHE  HD          112 PHE  HB-         2.80    (#    864:25  Unique         2.37, 3.07 A
)
 &rst
  ixpk= 864, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1666,1674,
 igr2=1662,1663,
 &end
#
#  112 PHE  HA          112 PHE  HB-         3.50    (#    865:25  Unique         2.65, 2.84 A
)
 &rst
  ixpk= 865, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#   69 ASN  HD2+         69 ASN  HB-         2.80    (#    867:25  Unique         2.88, 3.65 A
)
 &rst
  ixpk= 867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1027,1028,
 igr2=1022,1023,
 &end
#
#   69 ASN  HN           69 ASN  HB+         3.50    (#    868:25  Unique         3.52, 3.68 A
)
 &rst
  ixpk= 868, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   69 ASN  HA           69 ASN  HB+         3.50    (#    869:25  Unique         2.29, 2.46 A
)
 &rst
  ixpk= 869, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   69 ASN  HN           69 ASN  HB-         3.50    (#    871:25  Unique         3.52, 3.68 A
)
 &rst
  ixpk= 871, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1022,1023,
 &end
#
#   69 ASN  HA           69 ASN  HB-         2.80    (#    872:25  Unique         2.29, 2.46 A
)
 &rst
  ixpk= 872, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1022,1023,
 &end
#
#   21 PHE  HA           21 PHE  HB+         3.50    (#    874:25  Unique         2.41, 2.77 A
)
 &rst
  ixpk= 874, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   21 PHE  HD           21 PHE  HB+         3.50    (#    875:25  Unique         2.32, 3.11 A
)
 &rst
  ixpk= 875, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 336, 344,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:877      0 AMB  25-1:877    2.80    (#    877:25  Double Ambig
)
 &rst
  ixpk= 877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 igr2= 332, 333, 332, 333,
 &end
#
#    0 AMB  25-2:879     21 PHE  HB-         2.80    (#    879:25  Single Ambig
)
 &rst
  ixpk= 879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869,
 igr2= 332, 333,
 &end
#
#   21 PHE  HN           21 PHE  HB-         3.50    (#    880:25  Unique         2.44, 3.07 A
)
 &rst
  ixpk= 880, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 332, 333,
 &end
#
#   21 PHE  HD           21 PHE  HB-         2.80    (#    881:25  Unique         2.32, 3.11 A
)
 &rst
  ixpk= 881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 336, 344,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:882      0 AMB  25-1:882    3.50    (#    882:25  Double Ambig
)
 &rst
  ixpk= 882, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 583, 193,
 igr2= 195, 196, 195, 196,
 &end
#
#   65 ILE  HN           65 ILE  HB          2.80    (#    884:25  Unique         2.26, 2.31 A
)
 &rst
  ixpk= 884, nxpk= 25, iat= 950, 954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HA           65 ILE  HB          2.80    (#    885:25  Unique         2.42, 2.48 A
)
 &rst
  ixpk= 885, nxpk= 25, iat= 952, 954, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  QG2          65 ILE  HB          2.80    (#    886:25  Unique         2.41, 2.67 A
)
 &rst
  ixpk= 886, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 956, 957, 958,
 &end
#
#   65 ILE  QD1          65 ILE  HB          2.80    (#    887:25  Unique         2.27, 3.05 A
)
 &rst
  ixpk= 887, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 963, 964, 965,
 &end
#
#  130 ILE  HN          130 ILE  HB          3.50    (#    891:25  Unique         3.50, 3.53 A
)
 &rst
  ixpk= 891, nxpk= 25, iat=1972,1976, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  130 ILE  HA          130 ILE  HB          2.80    (#    892:25  Unique         2.46, 2.47 A
)
 &rst
  ixpk= 892, nxpk= 25, iat=1974,1976, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:893    130 ILE  HB          2.80    (#    893:25  Single Ambig
)
 &rst
  ixpk= 893, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  25,  26,  31,  32,
 &end
#
#  130 ILE  HG1+        130 ILE  HB          2.80    (#    894:25  Unique         2.36, 2.66 A
)
 &rst
  ixpk= 894, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#    0 AMB  25-2:895    130 ILE  HB          2.80    (#    895:25  Single Ambig
)
 &rst
  ixpk= 895, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
 &end
#
#  130 ILE  QG2         130 ILE  HB          2.80    (#    896:25  Unique         2.40, 2.70 A
)
 &rst
  ixpk= 896, nxpk= 25, iat=  -1,1976, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1978,1979,1980,
 &end
#
#  126 LEU  HN          125 ASN  HB+         3.50    (#    899:25  Unique         2.50, 3.12 A
)
 &rst
  ixpk= 899, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  125 ASN  HN          125 ASN  HB+         2.80    (#    900:25  Unique         2.15, 2.63 A
)
 &rst
  ixpk= 900, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  125 ASN  HA          125 ASN  HB+         2.80    (#    901:25  Unique         2.54, 2.84 A
)
 &rst
  ixpk= 901, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  122 ARG  HA          125 ASN  HB+         3.50    (#    902:25  Unique         2.21, 2.67 A
)
 &rst
  ixpk= 902, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  126 LEU  HN          125 ASN  HB-         3.50    (#    903:25  Unique         2.50, 3.12 A
)
 &rst
  ixpk= 903, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#  125 ASN  HN          125 ASN  HB-         2.80    (#    904:25  Unique         2.15, 2.63 A
)
 &rst
  ixpk= 904, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  125 ASN  HA          125 ASN  HB-         2.80    (#    905:25  Unique         2.54, 2.84 A
)
 &rst
  ixpk= 905, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1892,1893,
 &end
#
#  122 ARG  HA          125 ASN  HB-         3.50    (#    906:25  Unique         2.21, 2.67 A
)
 &rst
  ixpk= 906, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1892,1893,
 &end
#
#   57 ILE  HA           57 ILE  HB          2.80    (#    907:25  Unique         2.91, 2.93 A
)
 &rst
  ixpk= 907, nxpk= 25, iat= 847, 849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   57 ILE  HG1-         57 ILE  HB          3.50    (#    908:25  Unique         2.39, 2.73 A
)
 &rst
  ixpk= 908, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 855, 856,
 &end
#
#   57 ILE  QG2          57 ILE  HB          2.80    (#    909:25  Unique         2.39, 2.66 A
)
 &rst
  ixpk= 909, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 851, 852, 853,
 &end
#
#    0 AMB  25-2:910     57 ILE  HB          2.80    (#    910:25  Single Ambig
)
 &rst
  ixpk= 910, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 708, 709, 858, 859, 860,
 &end
#
#   48 ALA  HN           47 ILE  HB          2.80    (#    911:25  Unique         2.29, 2.57 A
)
 &rst
  ixpk= 911, nxpk= 25, iat= 717, 702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:912     47 ILE  HB          3.50    (#    912:25  Single Ambig
)
 &rst
  ixpk= 912, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 670, 719,
 &end
#
#   47 ILE  HG1-         47 ILE  HB          3.50    (#    913:25  Unique         2.60, 2.85 A
)
 &rst
  ixpk= 913, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#  124 GLU  HN          124 GLU  HG-         2.80    (#    914:25  Unique         2.23, 2.92 A
)
 &rst
  ixpk= 914, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1880,1881,
 &end
#
#  124 GLU  HA          124 GLU  HG-         3.50    (#    915:25  Unique         2.43, 2.80 A
)
 &rst
  ixpk= 915, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1880,1881,
 &end
#
#   25 LEU  MDX         124 GLU  HG-         2.80    (#    916:25  Unique         2.27, 3.43 A
)
 &rst
  ixpk= 916, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1880,1881,
 &end
#
#  124 GLU  HN          124 GLU  HG+         3.50    (#    917:25  Unique         2.23, 2.92 A
)
 &rst
  ixpk= 917, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1880,1881,
 &end
#
#  124 GLU  HA          124 GLU  HG+         3.50    (#    918:25  Unique         2.43, 2.80 A
)
 &rst
  ixpk= 918, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1880,1881,
 &end
#
#   25 LEU  MDX         124 GLU  HG+         2.80    (#    919:25  Unique         2.27, 3.43 A
)
 &rst
  ixpk= 919, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 403, 404, 405, 407, 408, 409,
 igr2=1880,1881,
 &end
#
#   77 ILE  HN           77 ILE  HB          3.50    (#    920:25  Unique         2.17, 2.22 A
)
 &rst
  ixpk= 920, nxpk= 25, iat=1131,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PHE  HD           77 ILE  HB          3.50    (#    921:25  Unique         2.48, 4.08 A
)
 &rst
  ixpk= 921, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#   77 ILE  HG1-         77 ILE  HB          2.80    (#    922:25  Unique         2.31, 2.43 A
)
 &rst
  ixpk= 922, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1141,1142,
 &end
#
#   77 ILE  HG1+         77 ILE  HB          3.50    (#    923:25  Unique         2.31, 2.43 A
)
 &rst
  ixpk= 923, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1141,1142,
 &end
#
#   77 ILE  QG2          77 ILE  HB          2.80    (#    924:25  Unique         2.35, 2.62 A
)
 &rst
  ixpk= 924, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1137,1138,1139,
 &end
#
#  127 ILE  HN          127 ILE  HB          2.80    (#    927:25  Unique         2.32, 2.38 A
)
 &rst
  ixpk= 927, nxpk= 25, iat=1921,1925, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HN          127 ILE  HB          2.80    (#    928:25  Unique         2.85, 2.86 A
)
 &rst
  ixpk= 928, nxpk= 25, iat=1940,1925, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HA          127 ILE  HB          3.50    (#    929:25  Unique         2.40, 2.52 A
)
 &rst
  ixpk= 929, nxpk= 25, iat=1875,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HA          127 ILE  HB          3.50    (#    930:25  Unique         3.02, 3.03 A
)
 &rst
  ixpk= 930, nxpk= 25, iat=1923,1925, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HG1+        127 ILE  HB          3.50    (#    931:25  Unique         2.49, 2.81 A
)
 &rst
  ixpk= 931, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1931,1932,
 &end
#
#  127 ILE  QG2         127 ILE  HB          2.80    (#    932:25  Unique         2.42, 2.67 A
)
 &rst
  ixpk= 932, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1927,1928,1929,
 &end
#
#    6 PHE  HA           77 ILE  HB          3.50    (#    933:25  Unique         2.27, 2.54 A
)
 &rst
  ixpk= 933, nxpk= 25, iat= 100,1135, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HN           52 GLU  HG+         3.50    (#    935:25  Unique         2.10, 2.67 A
)
 &rst
  ixpk= 935, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   52 GLU  HA           52 GLU  HG+         3.50    (#    936:25  Unique         2.37, 2.96 A
)
 &rst
  ixpk= 936, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 783, 784,
 &end
#
#   67 ASN  HN           67 ASN  HB-         3.50    (#    938:25  Unique         2.42, 2.57 A
)
 &rst
  ixpk= 938, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 988, 989,
 &end
#
#   67 ASN  HA           67 ASN  HB-         3.50    (#    939:25  Unique         2.21, 2.73 A
)
 &rst
  ixpk= 939, nxpk= 25, iat= 986,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 988, 989,
 &end
#
#   67 ASN  HN           67 ASN  HB+         3.50    (#    940:25  Unique         2.42, 2.57 A
)
 &rst
  ixpk= 940, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 988, 989,
 &end
#
#    0 AMB  25-2:941      0 AMB  25-1:941    2.80    (#    941:25  Double Ambig
)
 &rst
  ixpk= 941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 776, 993, 994,
 igr2= 783, 784, 988, 989,
 &end
#
#   67 ASN  HA           67 ASN  HB+         2.80    (#    942:25  Unique         2.21, 2.73 A
)
 &rst
  ixpk= 942, nxpk= 25, iat= 986,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 988, 989,
 &end
#
#   52 GLU  HA           52 GLU  HG-         2.80    (#    945:25  Unique         2.37, 2.96 A
)
 &rst
  ixpk= 945, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 783, 784,
 &end
#
#   60 GLN  HA           60 GLN  HG-         3.50    (#    946:25  Unique         2.41, 3.71 A
)
 &rst
  ixpk= 946, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 889, 890,
 &end
#
#    0 AMB  25-2:947      0 AMB  25-1:947    2.80    (#    947:25  Double Ambig
)
 &rst
  ixpk= 947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 884, 971,
 igr2= 889, 890, 976, 977,
 &end
#
#   66 GLU  HA           66 GLU  HG-         2.80    (#    948:25  Unique         2.61, 3.11 A
)
 &rst
  ixpk= 948, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 976, 977,
 &end
#
#    0 AMB  25-2:950      0 AMB  25-1:950    2.80    (#    950:25  Double Ambig
)
 &rst
  ixpk= 950, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 763,1381,
 igr2= 768, 769,1386,1387,
 &end
#
#   51 GLU  HN           51 GLU  HG+         3.50    (#    951:25  Unique         2.63, 3.38 A
)
 &rst
  ixpk= 951, nxpk= 25, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 768, 769,
 &end
#
#    0 AMB  25-2:952      0 AMB  25-1:952    2.80    (#    952:25  Double Ambig
)
 &rst
  ixpk= 952, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 763,1381,
 igr2= 768, 769,1386,1387,
 &end
#
#   51 GLU  HN           51 GLU  HG-         3.50    (#    953:25  Unique         2.63, 3.38 A
)
 &rst
  ixpk= 953, nxpk= 25, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 768, 769,
 &end
#
#   70 ALA  MB           89 GLU  HG-         3.50    (#    954:25  Unique         2.31, 6.46 A
)
 &rst
  ixpk= 954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1300,1301,
 &end
#
#  121 GLU  HN          121 GLU  HG+         3.50    (#    956:25  Unique         2.45, 3.98 A
)
 &rst
  ixpk= 956, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1825,1826,
 &end
#
#   97 GLU  HA           97 GLU  HG-         3.50    (#    957:25  Unique         2.30, 2.74 A
)
 &rst
  ixpk= 957, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1440,1441,
 &end
#
#   89 GLU  HN           89 GLU  HG-         4.50    (#    959:25  Unique         1.78, 2.94 A
)
 &rst
  ixpk= 959, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1300,1301,
 &end
#
#   70 ALA  MB            0 AMB  25-1:960    3.50    (#    960:25  Single Ambig
)
 &rst
  ixpk= 960, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1036,1037,1038,
 igr2=1300,1301,1300,1301,
 &end
#
#    0 AMB  25-2:961      0 AMB  25-1:961    2.80    (#    961:25  Double Ambig
)
 &rst
  ixpk= 961, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1522,1295,
 igr2=1527,1528,1300,1301,
 &end
#
#  115 VAL  MGY         102 GLU  HG+         4.50    (#    962:25  Unique         3.99, 6.47 A
)
 &rst
  ixpk= 962, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1722,1723,1724,1726,1727,1728,
 igr2=1527,1528,
 &end
#
#  102 GLU  HN          102 GLU  HG+         3.50    (#    963:25  Unique         2.38, 3.11 A
)
 &rst
  ixpk= 963, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1527,1528,
 &end
#
#  103 ASP  HN          102 GLU  HG+         4.50    (#    964:25  Unique         4.53, 4.95 A
)
 &rst
  ixpk= 964, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1527,1528,
 &end
#
#   97 GLU  HA           97 GLU  HG+         3.50    (#    965:25  Unique         2.30, 2.74 A
)
 &rst
  ixpk= 965, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1440,1441,
 &end
#
#   96 PHE  HD           76 VAL  HB          4.50    (#    966:25  Unique         2.81, 5.54 A
)
 &rst
  ixpk= 966, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   76 VAL  HN           76 VAL  HB          3.50    (#    967:25  Unique         2.76, 3.04 A
)
 &rst
  ixpk= 967, nxpk= 25, iat=1115,1119, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:969     75 VAL  HB          2.80    (#    969:25  Single Ambig
)
 &rst
  ixpk= 969, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1105,1106,1107,1109,1110,1111,1407,1408,1409,
 &end
#
#    0 AMB  25-2:970      0 AMB  25-1:970    3.50    (#    970:25  Double Ambig
)
 &rst
  ixpk= 970, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 437,1115,
 igr2= 441, 442,1103,
 &end
#
#   75 VAL  HN           75 VAL  HB          4.50    (#    971:25  Unique         2.60, 3.33 A
)
 &rst
  ixpk= 971, nxpk= 25, iat=1099,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 VAL  HA           75 VAL  HB          4.50    (#    972:25  Unique         2.01, 4.29 A
)
 &rst
  ixpk= 972, nxpk= 25, iat=  67,1103, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:973      0 AMB  25-1:973    2.80    (#    973:25  Double Ambig
)
 &rst
  ixpk= 973, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1101, 439,
 igr2=1103, 441, 442,
 &end
#
#    4 VAL  MGY          75 VAL  HB          5.50    (#    974:25  Unique         2.44, 6.17 A
)
 &rst
  ixpk= 974, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:975     75 VAL  HB          2.80    (#    975:25  Single Ambig
)
 &rst
  ixpk= 975, nxpk= 25, iat=  -1,1103, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#   29 LYS  HA           29 LYS  HB-         3.50    (#    977:25  Unique         2.29, 2.39 A
)
 &rst
  ixpk= 977, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 441, 442,
 &end
#
#   32 VAL  HN           32 VAL  HB          2.80    (#    979:25  Unique         2.83, 2.88 A
)
 &rst
  ixpk= 979, nxpk= 25, iat= 488, 492, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  HA           32 VAL  HB          3.50    (#    980:25  Unique         2.32, 2.36 A
)
 &rst
  ixpk= 980, nxpk= 25, iat= 490, 492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  MGY          32 VAL  HB          2.80    (#    981:25  Unique         2.32, 2.64 A
)
 &rst
  ixpk= 981, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGX          32 VAL  HB          2.80    (#    982:25  Unique         2.32, 2.64 A
)
 &rst
  ixpk= 982, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   19 GLU  HA           32 VAL  HB          4.50    (#    983:25  Unique         4.15, 4.26 A
)
 &rst
  ixpk= 983, nxpk= 25, iat= 308, 492, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 GLU  HA           97 GLU  HB+         3.50    (#    984:25  Unique         2.57, 2.83 A
)
 &rst
  ixpk= 984, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   49 MET  HG+          49 MET  HB+         2.80    (#    985:25  Unique         2.21, 2.51 A
)
 &rst
  ixpk= 985, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 734, 735,
 igr2= 731, 732,
 &end
#
#    7 VAL  HN            7 VAL  HB          3.50    (#    988:25  Unique         2.37, 2.70 A
)
 &rst
  ixpk= 988, nxpk= 25, iat= 118, 122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 SER  HA            7 VAL  HB          2.80    (#    989:25  Unique         2.10, 2.36 A
)
 &rst
  ixpk= 989, nxpk= 25, iat=1152, 122, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  MGY           7 VAL  HB          2.80    (#    990:25  Unique         2.35, 2.65 A
)
 &rst
  ixpk= 990, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGX           7 VAL  HB          2.80    (#    991:25  Unique         2.35, 2.65 A
)
 &rst
  ixpk= 991, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   97 GLU  HG-          97 GLU  HB+         2.80    (#    994:25  Unique         2.32, 2.73 A
)
 &rst
  ixpk= 994, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1440,1441,
 igr2=1437,1438,
 &end
#
#   99 TRP  HE1          97 GLU  HB+         3.50    (#    995:25  Unique         2.37, 2.81 A
)
 &rst
  ixpk= 995, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#    0 AMB  25-2:996      4 VAL  HB          4.50    (#    996:25  Single Ambig
)
 &rst
  ixpk= 996, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 494, 495, 496, 498, 499, 500,1931,1932,
 &end
#
#   77 ILE  QD1          97 GLU  HB-         2.80    (#    998:25  Unique         2.13, 3.71 A
)
 &rst
  ixpk= 998, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1144,1145,1146,
 igr2=1437,1438,
 &end
#
#  111 VAL  MGX         107 GLN  HG-         4.50    (#    999:25  Unique         2.30, 4.68 A
)
 &rst
  ixpk= 999, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#    4 VAL  HN            4 VAL  HB          2.80    (#   1000:25  Unique         2.39, 2.68 A
)
 &rst
  ixpk= 1000, nxpk= 25, iat=  65,  69, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  HA            4 VAL  HB          4.50    (#   1001:25  Unique         2.89, 3.98 A
)
 &rst
  ixpk= 1001, nxpk= 25, iat= 490,  69, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1002     4 VAL  HB          2.80    (#   1002:25  Single Ambig
)
 &rst
  ixpk= 1002, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  71,  72,  73,  75,  76,  77,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    4 VAL  MGY           4 VAL  HB          2.80    (#   1003:25  Unique         2.39, 2.65 A
)
 &rst
  ixpk= 1003, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#  118 GLN  HB-         118 GLN  HG+         2.80    (#   1004:25  Unique         2.23, 2.73 A
)
 &rst
  ixpk= 1004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1767,1768,
 igr2=1770,1771,
 &end
#
#   49 MET  HN           49 MET  HG+         3.50    (#   1005:25  Unique         2.14, 3.17 A
)
 &rst
  ixpk= 1005, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 734, 735,
 &end
#
#   49 MET  ME           49 MET  HG+         3.50    (#   1006:25  Unique         2.29, 3.60 A
)
 &rst
  ixpk= 1006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 738, 739, 740,
 igr2= 734, 735,
 &end
#
#   49 MET  HB+          49 MET  HG+         3.50    (#   1007:25  Unique         2.21, 2.51 A
)
 &rst
  ixpk= 1007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 731, 732,
 igr2= 734, 735,
 &end
#
#  118 GLN  HN          118 GLN  HG-         3.50    (#   1008:25  Unique         2.12, 2.87 A
)
 &rst
  ixpk= 1008, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#  107 GLN  HN          107 GLN  HG+         3.50    (#   1009:25  Unique         2.16, 2.96 A
)
 &rst
  ixpk= 1009, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2+        107 GLN  HG+         3.50    (#   1010:25  Unique         2.42, 3.08 A
)
 &rst
  ixpk= 1010, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  104 PRO  HA          107 GLN  HG+         3.50    (#   1012:25  Unique         2.03, 2.27 A
)
 &rst
  ixpk= 1012, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  111 VAL  MGX         107 GLN  HG+         3.50    (#   1014:25  Unique         2.30, 4.68 A
)
 &rst
  ixpk= 1014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2+        107 GLN  HG-         3.50    (#   1015:25  Unique         2.42, 3.08 A
)
 &rst
  ixpk= 1015, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  107 GLN  HN          107 GLN  HG-         3.50    (#   1017:25  Unique         2.16, 2.96 A
)
 &rst
  ixpk= 1017, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1587,1588,
 &end
#
#  108 SER  HN          107 GLN  HG-         4.50    (#   1018:25  Unique         4.40, 4.60 A
)
 &rst
  ixpk= 1018, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1587,1588,
 &end
#
#  118 GLN  HN          118 GLN  HG+         3.50    (#   1021:25  Unique         2.12, 2.87 A
)
 &rst
  ixpk= 1021, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#  118 GLN  HA          118 GLN  HG+         3.50    (#   1022:25  Unique         2.27, 2.94 A
)
 &rst
  ixpk= 1022, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#   45 THR  MG2          49 MET  HG+         3.50    (#   1023:25  Unique         2.97, 4.75 A
)
 &rst
  ixpk= 1023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 680, 681, 682,
 igr2= 734, 735,
 &end
#
#  118 GLN  HA          118 GLN  HG-         3.50    (#   1024:25  Unique         2.27, 2.94 A
)
 &rst
  ixpk= 1024, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#    1 MET  HA            1 MET  HB+         2.80    (#   1026:25  Unique         2.35, 2.74 A
)
 &rst
  ixpk= 1026, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=   8,   9,
 &end
#
#    2 LYS  HN            2 LYS  HB+         3.50    (#   1027:25  Unique         2.29, 3.04 A
)
 &rst
  ixpk= 1027, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    2 LYS  HA            2 LYS  HB+         3.50    (#   1028:25  Unique         2.42, 2.80 A
)
 &rst
  ixpk= 1028, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    3 LYS  HN            0 AMB  25-1:1030   3.50    (#   1030:25  Single Ambig
)
 &rst
  ixpk= 1030, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=  47,  48,  25,  26,
 &end
#
#   73 TYR  HA            3 LYS  HB+         3.50    (#   1031:25  Unique         2.09, 2.20 A
)
 &rst
  ixpk= 1031, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  47,  48,
 &end
#
#    3 LYS  HG+           3 LYS  HB+         3.50    (#   1032:25  Unique         2.29, 2.77 A
)
 &rst
  ixpk= 1032, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  50,  51,
 igr2=  47,  48,
 &end
#
#    1 MET  HA            1 MET  HB-         3.50    (#   1033:25  Unique         2.35, 2.74 A
)
 &rst
  ixpk= 1033, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=   8,   9,
 &end
#
#    0 AMB  25-2:1034     0 AMB  25-1:1034   3.50    (#   1034:25  Double Ambig
)
 &rst
  ixpk= 1034, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  50,  51,  50,  51,
 igr2=  47,  48,   8,   9,
 &end
#
#    3 LYS  HN            3 LYS  HB-         3.50    (#   1035:25  Unique         2.15, 2.98 A
)
 &rst
  ixpk= 1035, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  47,  48,
 &end
#
#    3 LYS  HA            3 LYS  HB-         3.50    (#   1036:25  Unique         2.67, 2.86 A
)
 &rst
  ixpk= 1036, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  47,  48,
 &end
#
#    1 MET  HG-           1 MET  HB-         2.80    (#   1037:25  Unique         2.31, 2.75 A
)
 &rst
  ixpk= 1037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#   73 TYR  HA            3 LYS  HB-         3.50    (#   1038:25  Unique         2.09, 2.20 A
)
 &rst
  ixpk= 1038, nxpk= 25, iat=1068,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  47,  48,
 &end
#
#    2 LYS  HA            2 LYS  HB-         3.50    (#   1039:25  Unique         2.42, 2.80 A
)
 &rst
  ixpk= 1039, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#   30 ILE  QG2           2 LYS  HB-         3.50    (#   1040:25  Unique         2.07, 3.37 A
)
 &rst
  ixpk= 1040, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 465, 466, 467,
 igr2=  25,  26,
 &end
#
#   43 HIS  HN           43 HIS  HB-         3.50    (#   1042:25  Unique         2.19, 2.45 A
)
 &rst
  ixpk= 1042, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 647, 648,
 &end
#
#   43 HIS  HN           43 HIS  HB+         3.50    (#   1045:25  Unique         2.19, 2.45 A
)
 &rst
  ixpk= 1045, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 647, 648,
 &end
#
#   46 ALA  MB           43 HIS  HB+         3.50    (#   1047:25  Unique         2.46, 4.34 A
)
 &rst
  ixpk= 1047, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 692, 693, 694,
 igr2= 647, 648,
 &end
#
#   49 MET  HG+          50 MET  HG+         4.50    (#   1050:25  Unique         4.86, 5.93 A
)
 &rst
  ixpk= 1050, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 734, 735,
 igr2= 751, 752,
 &end
#
#    0 AMB  25-2:1051     0 AMB  25-1:1051   5.50    (#   1051:25  Double Ambig
)
 &rst
  ixpk= 1051, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 837, 838, 783, 784,
 igr2= 751, 752, 751, 752,
 &end
#
#   50 MET  ME           50 MET  HG+         3.50    (#   1052:25  Unique         2.41, 3.67 A
)
 &rst
  ixpk= 1052, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 755, 756, 757,
 igr2= 751, 752,
 &end
#
#    1 MET  HG-           1 MET  HB+         2.80    (#   1053:25  Unique         2.31, 2.75 A
)
 &rst
  ixpk= 1053, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#   17 MET  HG+          17 MET  HB+         3.50    (#   1055:25  Unique         2.35, 2.76 A
)
 &rst
  ixpk= 1055, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 286, 287,
 igr2= 283, 284,
 &end
#
#  100 GLN  HA          100 GLN  HG+         3.50    (#   1056:25  Unique         2.40, 2.85 A
)
 &rst
  ixpk= 1056, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1491,1492,
 &end
#
#   17 MET  HB-          17 MET  HG-         2.80    (#   1057:25  Unique         2.35, 2.76 A
)
 &rst
  ixpk= 1057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 283, 284,
 igr2= 286, 287,
 &end
#
#  100 GLN  HA          100 GLN  HG-         3.50    (#   1058:25  Unique         2.40, 2.85 A
)
 &rst
  ixpk= 1058, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1491,1492,
 &end
#
#   17 MET  HG+          17 MET  HB-         2.80    (#   1059:25  Unique         2.35, 2.76 A
)
 &rst
  ixpk= 1059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 286, 287,
 igr2= 283, 284,
 &end
#
#   93 GLN  HE2-         93 GLN  HG-         3.50    (#   1060:25  Unique         2.21, 3.24 A
)
 &rst
  ixpk= 1060, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#    0 AMB  25-2:1061    93 GLN  HG-         2.80    (#   1061:25  Single Ambig
)
 &rst
  ixpk= 1061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1366,1367,1070,1071,
 igr2=1369,1370,
 &end
#
#    0 AMB  25-2:1063     0 AMB  25-1:1063   3.50    (#   1063:25  Double Ambig
)
 &rst
  ixpk= 1063, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1978,1979,1980,1407,1408,1409,
 igr2=1954,1955,1954,1955,
 &end
#
#  129 LYS  HA          129 LYS  HB+         2.80    (#   1064:25  Unique         2.47, 2.76 A
)
 &rst
  ixpk= 1064, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1954,1955,
 &end
#
#  129 LYS  HN          129 LYS  HB+         2.80    (#   1065:25  Unique         2.28, 2.93 A
)
 &rst
  ixpk= 1065, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1954,1955,
 &end
#
#    0 AMB  25-2:1070     0 AMB  25-1:1070   3.50    (#   1070:25  Double Ambig
)
 &rst
  ixpk= 1070, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 283, 284, 290, 291, 292,
 igr2= 286, 287, 286, 287,
 &end
#
#   93 GLN  HE2-         93 GLN  HG+         3.50    (#   1071:25  Unique         2.21, 3.24 A
)
 &rst
  ixpk= 1071, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   93 GLN  HB-          93 GLN  HG+         3.50    (#   1073:25  Unique         2.37, 2.60 A
)
 &rst
  ixpk= 1073, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1366,1367,
 igr2=1369,1370,
 &end
#
#   76 VAL  MGX          93 GLN  HG+         3.50    (#   1074:25  Unique         2.39, 4.60 A
)
 &rst
  ixpk= 1074, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1369,1370,
 &end
#
#   93 GLN  HN           93 GLN  HG-         3.50    (#   1076:25  Unique         2.46, 3.28 A
)
 &rst
  ixpk= 1076, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1369,1370,
 &end
#
#   38 GLU  HA           38 GLU  HB+         2.80    (#   1077:25  Unique         2.49, 2.80 A
)
 &rst
  ixpk= 1077, nxpk= 25, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 570, 571,
 &end
#
#    0 AMB  25-2:1078     0 AMB  25-1:1078   2.80    (#   1078:25  Double Ambig
)
 &rst
  ixpk= 1078, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.03, r4= 6.78,
 igr1=1960,1961,1960,1961,1366,1367, 155, 156, 152, 153,
      
 igr2=1954,1955,1954,1955,1369,1370, 149, 150, 149, 150,
      
 &end
#
#    0 AMB  25-2:1079     0 AMB  25-1:1079   2.80    (#   1079:25  Double Ambig
)
 &rst
  ixpk= 1079, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1957,1958, 174, 175,
 igr2=1954,1955, 149, 150,
 &end
#
#   38 GLU  HA           38 GLU  HB-         2.80    (#   1080:25  Unique         2.49, 2.80 A
)
 &rst
  ixpk= 1080, nxpk= 25, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 570, 571,
 &end
#
#   84 VAL  HN           84 VAL  HB          2.80    (#   1081:25  Unique         2.24, 2.49 A
)
 &rst
  ixpk= 1081, nxpk= 25, iat=1216,1220, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 VAL  HA           84 VAL  HB          2.80    (#   1082:25  Unique         2.99, 3.00 A
)
 &rst
  ixpk= 1082, nxpk= 25, iat=1218,1220, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 CYS  HB-          84 VAL  HB          2.80    (#   1083:25  Unique         2.11, 2.81 A
)
 &rst
  ixpk= 1083, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1184,1185,
 &end
#
#    9 LYS  HA            9 LYS  HB+         3.50    (#   1086:25  Unique         2.40, 2.79 A
)
 &rst
  ixpk= 1086, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 149, 150,
 &end
#
#    9 LYS  HA            9 LYS  HB-         3.50    (#   1087:25  Unique         2.40, 2.79 A
)
 &rst
  ixpk= 1087, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 149, 150,
 &end
#
#   44 PRO  HA           44 PRO  HB+         2.80    (#   1089:25  Unique         2.28, 2.53 A
)
 &rst
  ixpk= 1089, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 667, 668,
 &end
#
#   44 PRO  HA           44 PRO  HB-         2.80    (#   1090:25  Unique         2.28, 2.53 A
)
 &rst
  ixpk= 1090, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 667, 668,
 &end
#
#    5 MET  HB-           5 MET  HG+         2.80    (#   1093:25  Unique         2.33, 2.68 A
)
 &rst
  ixpk= 1093, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  85,  86,
 igr2=  88,  89,
 &end
#
#    0 AMB  25-2:1094     0 AMB  25-1:1094   3.50    (#   1094:25  Double Ambig
)
 &rst
  ixpk= 1094, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 124, 125, 126, 128, 129, 130,  92,  93,  94,
 igr2=  88,  89,  88,  89,
 &end
#
#    7 VAL  MGX           5 MET  HG+         4.50    (#   1095:25  Unique         2.15, 4.56 A
)
 &rst
  ixpk= 1095, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=  88,  89,
 &end
#
#   64 PRO  HA           64 PRO  HB+         3.50    (#   1096:25  Unique         2.29, 2.52 A
)
 &rst
  ixpk= 1096, nxpk= 25, iat= 946,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 943, 944,
 &end
#
#   88 PRO  HA           88 PRO  HB+         2.80    (#   1098:25  Unique         2.31, 2.54 A
)
 &rst
  ixpk= 1098, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1286,1287,
 &end
#
#   88 PRO  HD+          88 PRO  HB+         3.50    (#   1099:25  Unique         2.49, 3.55 A
)
 &rst
  ixpk= 1099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1280,1281,
 igr2=1286,1287,
 &end
#
#    0 AMB  25-2:1100     0 AMB  25-1:1100   2.80    (#   1100:25  Double Ambig
)
 &rst
  ixpk= 1100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1283,1284,1300,1301,1300,1301,
 igr2=1286,1287,1286,1287,1286,1287,
 &end
#
#   23 LYS  HN           23 LYS  HB+         3.50    (#   1102:25  Unique         2.52, 3.17 A
)
 &rst
  ixpk= 1102, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 362, 363,
 &end
#
#   41 ARG  HD+          41 ARG  HB+         2.80    (#   1104:25  Unique         2.34, 3.15 A
)
 &rst
  ixpk= 1104, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 613, 614,
 igr2= 607, 608,
 &end
#
#   88 PRO  HA           88 PRO  HB-         2.80    (#   1106:25  Unique         2.31, 2.54 A
)
 &rst
  ixpk= 1106, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1286,1287,
 &end
#
#   23 LYS  HN           23 LYS  HB-         2.80    (#   1108:25  Unique         2.52, 3.17 A
)
 &rst
  ixpk= 1108, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 362, 363,
 &end
#
#   23 LYS  HA           23 LYS  HB-         2.80    (#   1109:25  Unique         2.31, 2.40 A
)
 &rst
  ixpk= 1109, nxpk= 25, iat= 360,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 362, 363,
 &end
#
#   23 LYS  HG-          23 LYS  HB-         2.80    (#   1110:25  Unique         2.37, 2.75 A
)
 &rst
  ixpk= 1110, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 365, 366,
 igr2= 362, 363,
 &end
#
#   42 VAL  HN           41 ARG  HB-         3.50    (#   1111:25  Unique         2.48, 3.40 A
)
 &rst
  ixpk= 1111, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 607, 608,
 &end
#
#   41 ARG  HD+          41 ARG  HB-         3.50    (#   1115:25  Unique         2.34, 3.15 A
)
 &rst
  ixpk= 1115, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 613, 614,
 igr2= 607, 608,
 &end
#
#  120 LYS  HA          120 LYS  HB-         3.50    (#   1116:25  Unique         2.45, 2.78 A
)
 &rst
  ixpk= 1116, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  115 VAL  HN          115 VAL  HB          2.80    (#   1118:25  Unique         2.21, 2.34 A
)
 &rst
  ixpk= 1118, nxpk= 25, iat=1716,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 VAL  HA          115 VAL  HB          2.80    (#   1119:25  Unique         2.99, 3.00 A
)
 &rst
  ixpk= 1119, nxpk= 25, iat=1718,1720, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 PHE  HA          115 VAL  HB          3.50    (#   1120:25  Unique         2.99, 3.12 A
)
 &rst
  ixpk= 1120, nxpk= 25, iat=1660,1720, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:1121   115 VAL  HB          2.80    (#   1121:25  Single Ambig
)
 &rst
  ixpk= 1121, nxpk= 25, iat=  -1,1720, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  120 LYS  HN          120 LYS  HB+         3.50    (#   1122:25  Unique         2.31, 2.51 A
)
 &rst
  ixpk= 1122, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#    0 AMB  25-2:1123     0 AMB  25-1:1123   3.50    (#   1123:25  Double Ambig
)
 &rst
  ixpk= 1123, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1818, 338, 342,
 igr2=1800,1801,1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HB-         3.50    (#   1125:25  Unique         2.46, 2.77 A
)
 &rst
  ixpk= 1125, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  119 VAL  HN          119 VAL  HB          2.80    (#   1126:25  Unique         2.36, 2.39 A
)
 &rst
  ixpk= 1126, nxpk= 25, iat=1780,1784, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 CYS  HA           35 CYS  HB+         3.50    (#   1127:25  Unique         2.38, 2.63 A
)
 &rst
  ixpk= 1127, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 533, 534,
 &end
#
#  119 VAL  HA          119 VAL  HB          3.50    (#   1128:25  Unique         3.04, 3.05 A
)
 &rst
  ixpk= 1128, nxpk= 25, iat=1782,1784, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    1 MET  HA            1 MET  HG+         3.50    (#   1129:25  Unique         2.40, 2.90 A
)
 &rst
  ixpk= 1129, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG-         3.50    (#   1130:25  Unique         2.40, 2.90 A
)
 &rst
  ixpk= 1130, nxpk= 25, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#   10 ARG  HA           10 ARG  HB-         3.50    (#   1131:25  Unique         2.28, 2.47 A
)
 &rst
  ixpk= 1131, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 171, 172,
 &end
#
#   10 ARG  HD-          10 ARG  HB-         2.80    (#   1133:25  Unique         2.28, 3.19 A
)
 &rst
  ixpk= 1133, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 177, 178,
 igr2= 171, 172,
 &end
#
#    0 AMB  25-2:1135     0 AMB  25-1:1135   3.50    (#   1135:25  Double Ambig
)
 &rst
  ixpk= 1135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1736,1737,1739,1740,
 igr2=1685,1686,1685,1686,
 &end
#
#  120 LYS  HN          119 VAL  HB          3.50    (#   1141:25  Unique         2.61, 2.76 A
)
 &rst
  ixpk= 1141, nxpk= 25, iat=1796,1784, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 ARG  HA            0 AMB  25-1:1142   2.80    (#   1142:25  Single Ambig
)
 &rst
  ixpk= 1142, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1736,1737,1784,
 &end
#
#    0 AMB  25-2:1143     0 AMB  25-1:1143   2.80    (#   1143:25  Double Ambig
)
 &rst
  ixpk= 1143, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1= 510, 511, 512, 960, 961,
 igr2= 533, 534, 533, 534,
 &end
#
#    1 MET  HB-           1 MET  HG+         3.50    (#   1144:25  Unique         2.31, 2.75 A
)
 &rst
  ixpk= 1144, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#    0 AMB  25-2:1145   123 VAL  HB          2.80    (#   1145:25  Single Ambig
)
 &rst
  ixpk= 1145, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1857,1873,
 &end
#
#  112 PHE  HN          111 VAL  HB          3.50    (#   1153:25  Unique         2.43, 2.49 A
)
 &rst
  ixpk= 1153, nxpk= 25, iat=1658,1646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  HN          111 VAL  HB          2.80    (#   1154:25  Unique         2.35, 2.39 A
)
 &rst
  ixpk= 1154, nxpk= 25, iat=1642,1646, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HA          111 VAL  HB          3.50    (#   1155:25  Unique         3.02, 3.02 A
)
 &rst
  ixpk= 1155, nxpk= 25, iat=1644,1646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  MGY         111 VAL  HB          2.80    (#   1156:25  Unique         2.38, 2.67 A
)
 &rst
  ixpk= 1156, nxpk= 25, iat=  -1,1646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         111 VAL  HB          2.80    (#   1157:25  Unique         2.38, 2.67 A
)
 &rst
  ixpk= 1157, nxpk= 25, iat=  -1,1646, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:1158     0 AMB  25-1:1158   3.50    (#   1158:25  Double Ambig
)
 &rst
  ixpk= 1158, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 629,1859,
 igr2= 269, 270,1861,
 &end
#
#  120 LYS  HA          123 VAL  HB          3.50    (#   1159:25  Unique         2.57, 2.70 A
)
 &rst
  ixpk= 1159, nxpk= 25, iat=1798,1861, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 VAL  MGY         123 VAL  HB          2.80    (#   1160:25  Unique         2.32, 2.64 A
)
 &rst
  ixpk= 1160, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  MGX         123 VAL  HB          2.80    (#   1161:25  Unique         2.32, 2.64 A
)
 &rst
  ixpk= 1161, nxpk= 25, iat=  -1,1861, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#   42 VAL  HN           42 VAL  HB          2.80    (#   1162:25  Unique         2.76, 2.80 A
)
 &rst
  ixpk= 1162, nxpk= 25, iat= 627, 631, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 VAL  MGY          42 VAL  HB          2.80    (#   1163:25  Unique         2.29, 2.63 A
)
 &rst
  ixpk= 1163, nxpk= 25, iat=  -1, 631, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   91 VAL  HA           91 VAL  HB          2.80    (#   1164:25  Unique         2.40, 2.55 A
)
 &rst
  ixpk= 1164, nxpk= 25, iat=1334,1336, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  MGX          91 VAL  HB          2.80    (#   1165:25  Unique         2.32, 2.63 A
)
 &rst
  ixpk= 1165, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  MGY          91 VAL  HB          2.80    (#   1166:25  Unique         2.32, 2.63 A
)
 &rst
  ixpk= 1166, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#  104 PRO  HA          104 PRO  HB+         3.50    (#   1172:25  Unique         2.27, 2.64 A
)
 &rst
  ixpk= 1172, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1554,1555,
 &end
#
#  104 PRO  HG-         104 PRO  HB+         3.50    (#   1174:25  Unique         2.32, 2.61 A
)
 &rst
  ixpk= 1174, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1554,1555,
 &end
#
#  104 PRO  HA          104 PRO  HB-         3.50    (#   1176:25  Unique         2.27, 2.64 A
)
 &rst
  ixpk= 1176, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1554,1555,
 &end
#
#  104 PRO  HG+         104 PRO  HB-         3.50    (#   1177:25  Unique         2.32, 2.61 A
)
 &rst
  ixpk= 1177, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1554,1555,
 &end
#
#  104 PRO  HG-         104 PRO  HB-         3.50    (#   1178:25  Unique         2.32, 2.61 A
)
 &rst
  ixpk= 1178, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1554,1555,
 &end
#
#   53 VAL  MGY          53 VAL  HB          2.80    (#   1185:25  Unique         2.39, 2.67 A
)
 &rst
  ixpk= 1185, nxpk= 25, iat=  -1, 795, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#   52 GLU  HN           52 GLU  HB+         3.50    (#   1186:25  Unique         2.53, 3.14 A
)
 &rst
  ixpk= 1186, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 780, 781,
 &end
#
#   52 GLU  HA           52 GLU  HB+         3.50    (#   1187:25  Unique         2.42, 2.74 A
)
 &rst
  ixpk= 1187, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 780, 781,
 &end
#
#   52 GLU  HG+          52 GLU  HB+         2.80    (#   1188:25  Unique         2.31, 2.77 A
)
 &rst
  ixpk= 1188, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 783, 784,
 igr2= 780, 781,
 &end
#
#   52 GLU  HN           52 GLU  HB-         3.50    (#   1189:25  Unique         2.53, 3.14 A
)
 &rst
  ixpk= 1189, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 780, 781,
 &end
#
#   52 GLU  HA           52 GLU  HB-         2.80    (#   1190:25  Unique         2.42, 2.74 A
)
 &rst
  ixpk= 1190, nxpk= 25, iat= 778,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 780, 781,
 &end
#
#   52 GLU  HG+          52 GLU  HB-         2.80    (#   1191:25  Unique         2.31, 2.77 A
)
 &rst
  ixpk= 1191, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 783, 784,
 igr2= 780, 781,
 &end
#
#   90 TRP  HA           90 TRP  HB+         3.50    (#   1192:25  Unique         2.37, 2.75 A
)
 &rst
  ixpk= 1192, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   76 VAL  MGY          90 TRP  HB+         3.50    (#   1193:25  Unique         2.08, 4.33 A
)
 &rst
  ixpk= 1193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,
 &end
#
#   90 TRP  HN           90 TRP  HB-         3.50    (#   1194:25  Unique         2.29, 2.98 A
)
 &rst
  ixpk= 1194, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#  127 ILE  HN          127 ILE  HG1-        2.80    (#   1197:25  Unique         2.13, 2.80 A
)
 &rst
  ixpk= 1197, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1931,1932,
 &end
#
#  127 ILE  HA          127 ILE  HG1-        3.50    (#   1198:25  Unique         2.35, 2.68 A
)
 &rst
  ixpk= 1198, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#    0 AMB  25-2:1200     0 AMB  25-1:1200   2.80    (#   1200:25  Double Ambig
)
 &rst
  ixpk= 1200, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,1863,1864,1865,1867,1868,1869,
 igr2=1524,1525,1524,1525,1931,1932,
 &end
#
#    0 AMB  25-2:1201   127 ILE  HG1-        2.80    (#   1201:25  Single Ambig
)
 &rst
  ixpk= 1201, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2=1931,1932,
 &end
#
#  102 GLU  HN          102 GLU  HB+         2.80    (#   1202:25  Unique         2.28, 2.95 A
)
 &rst
  ixpk= 1202, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1524,1525,
 &end
#
#  102 GLU  HA          102 GLU  HB+         2.80    (#   1203:25  Unique         2.46, 2.79 A
)
 &rst
  ixpk= 1203, nxpk= 25, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1524,1525,
 &end
#
#  102 GLU  HN          102 GLU  HB-         3.50    (#   1204:25  Unique         2.28, 2.95 A
)
 &rst
  ixpk= 1204, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1524,1525,
 &end
#
#  102 GLU  HA          102 GLU  HB-         2.80    (#   1205:25  Unique         2.46, 2.79 A
)
 &rst
  ixpk= 1205, nxpk= 25, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1524,1525,
 &end
#
#  102 GLU  HG+         102 GLU  HB-         2.80    (#   1206:25  Unique         2.25, 2.72 A
)
 &rst
  ixpk= 1206, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1527,1528,
 igr2=1524,1525,
 &end
#
#    0 AMB  25-2:1207   102 GLU  HB-         3.50    (#   1207:25  Single Ambig
)
 &rst
  ixpk= 1207, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 igr2=1524,1525,
 &end
#
#  127 ILE  HN          127 ILE  HG1+        3.50    (#   1208:25  Unique         2.13, 2.80 A
)
 &rst
  ixpk= 1208, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#  127 ILE  HA          127 ILE  HG1+        3.50    (#   1209:25  Unique         2.35, 2.68 A
)
 &rst
  ixpk= 1209, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1931,1932,
 &end
#
#    0 AMB  25-2:1211     0 AMB  25-1:1211   2.80    (#   1211:25  Double Ambig
)
 &rst
  ixpk= 1211, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2=1931,1932,1931,1932,
 &end
#
#  108 SER  HN          107 GLN  HB+         3.50    (#   1218:25  Unique         1.98, 2.57 A
)
 &rst
  ixpk= 1218, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1584,1585,
 &end
#
#  108 SER  HN          107 GLN  HB-         3.50    (#   1221:25  Unique         1.98, 2.57 A
)
 &rst
  ixpk= 1221, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1584,1585,
 &end
#
#  121 GLU  HN          121 GLU  HB+         2.80    (#   1222:25  Unique         1.95, 2.53 A
)
 &rst
  ixpk= 1222, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  121 GLU  HA          121 GLU  HB+         2.80    (#   1223:25  Unique         2.26, 2.64 A
)
 &rst
  ixpk= 1223, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  124 GLU  HN          124 GLU  HB-         2.80    (#   1224:25  Unique         2.44, 3.05 A
)
 &rst
  ixpk= 1224, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1877,1878,
 &end
#
#  121 GLU  HN          121 GLU  HB-         2.80    (#   1225:25  Unique         1.95, 2.53 A
)
 &rst
  ixpk= 1225, nxpk= 25, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1822,1823,
 &end
#
#  121 GLU  HA            0 AMB  25-1:1226   2.80    (#   1226:25  Single Ambig
)
 &rst
  ixpk= 1226, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1822,1823,1877,1878,
 &end
#
#    0 AMB  25-2:1229     0 AMB  25-1:1229   2.80    (#   1229:25  Double Ambig
)
 &rst
  ixpk= 1229, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,1400,1401,1402,
 igr2= 155, 156,1960,1961,
 &end
#
#  126 LEU  HA            0 AMB  25-1:1231   3.50    (#   1231:25  Single Ambig
)
 &rst
  ixpk= 1231, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1960,1961,1960,1961,
 &end
#
#    0 AMB  25-2:1232     0 AMB  25-1:1232   2.80    (#   1232:25  Double Ambig
)
 &rst
  ixpk= 1232, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1963,1964,1963,1964,1184,1185,
 igr2=1960,1961,1960,1961, 155, 156,
 &end
#
#   46 ALA  MB           47 ILE  HG1-        3.50    (#   1234:25  Unique         3.00, 5.02 A
)
 &rst
  ixpk= 1234, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 692, 693, 694,
 igr2= 708, 709,
 &end
#
#   47 ILE  QD1          47 ILE  HG1-        2.80    (#   1235:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 1235, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 711, 712, 713,
 igr2= 708, 709,
 &end
#
#   94 GLU  HN           94 GLU  HB+         3.50    (#   1236:25  Unique         2.26, 2.67 A
)
 &rst
  ixpk= 1236, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1383,1384,
 &end
#
#   94 GLU  HA           94 GLU  HB+         3.50    (#   1237:25  Unique         2.42, 2.79 A
)
 &rst
  ixpk= 1237, nxpk= 25, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1383,1384,
 &end
#
#  124 GLU  HN          124 GLU  HB+         3.50    (#   1241:25  Unique         2.44, 3.05 A
)
 &rst
  ixpk= 1241, nxpk= 25, iat=1873,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1877,1878,
 &end
#
#  124 GLU  HA          124 GLU  HB+         3.50    (#   1242:25  Unique         2.51, 2.80 A
)
 &rst
  ixpk= 1242, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1877,1878,
 &end
#
#  125 ASN  HN          124 GLU  HB+         3.50    (#   1244:25  Unique         2.58, 3.10 A
)
 &rst
  ixpk= 1244, nxpk= 25, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1877,1878,
 &end
#
#    0 AMB  25-2:1245     0 AMB  25-1:1245   2.80    (#   1245:25  Double Ambig
)
 &rst
  ixpk= 1245, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1820, 763,
 igr2=1877,1878, 765, 766,
 &end
#
#  111 VAL  MGY           0 AMB  25-1:1246   3.50    (#   1246:25  Single Ambig
)
 &rst
  ixpk= 1246, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,1631,1632,
 &end
#
#  111 VAL  MGX         107 GLN  HB-         3.50    (#   1248:25  Unique         2.56, 3.84 A
)
 &rst
  ixpk= 1248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#  124 GLU  HA          124 GLU  HB-         2.80    (#   1249:25  Unique         2.51, 2.80 A
)
 &rst
  ixpk= 1249, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1877,1878,
 &end
#
#    9 LYS  HE+           9 LYS  HD+         3.50    (#   1251:25  Unique         2.36, 2.75 A
)
 &rst
  ixpk= 1251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 158, 159,
 igr2= 155, 156,
 &end
#
#    9 LYS  HG-           9 LYS  HD+         3.50    (#   1252:25  Unique         2.32, 2.75 A
)
 &rst
  ixpk= 1252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 152, 153,
 igr2= 155, 156,
 &end
#
#   29 LYS  HG+          29 LYS  HD+         2.80    (#   1253:25  Unique         2.39, 2.62 A
)
 &rst
  ixpk= 1253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 444, 445,
 igr2= 447, 448,
 &end
#
#   29 LYS  HE+          29 LYS  HD-         3.50    (#   1254:25  Unique         2.42, 2.64 A
)
 &rst
  ixpk= 1254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 450, 451,
 igr2= 447, 448,
 &end
#
#  120 LYS  HE-         120 LYS  HD-         3.50    (#   1257:25  Unique         2.35, 2.63 A
)
 &rst
  ixpk= 1257, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG-         120 LYS  HD-         2.80    (#   1258:25  Unique         2.35, 2.68 A
)
 &rst
  ixpk= 1258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG+         120 LYS  HD-         3.50    (#   1259:25  Unique         2.35, 2.68 A
)
 &rst
  ixpk= 1259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HE+         120 LYS  HD+         3.50    (#   1260:25  Unique         2.35, 2.63 A
)
 &rst
  ixpk= 1260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810,
 igr2=1806,1807,
 &end
#
#  120 LYS  HE-         120 LYS  HD+         3.50    (#   1261:25  Unique         2.35, 2.63 A
)
 &rst
  ixpk= 1261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG-         120 LYS  HD+         2.80    (#   1262:25  Unique         2.35, 2.68 A
)
 &rst
  ixpk= 1262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#  120 LYS  HG+         120 LYS  HD+         3.50    (#   1263:25  Unique         2.35, 2.68 A
)
 &rst
  ixpk= 1263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1806,1807,
 &end
#
#   51 GLU  HN           51 GLU  HB-         3.50    (#   1271:25  Unique         2.02, 2.78 A
)
 &rst
  ixpk= 1271, nxpk= 25, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 765, 766,
 &end
#
#   48 ALA  HA           51 GLU  HB-         3.50    (#   1273:25  Unique         2.25, 2.98 A
)
 &rst
  ixpk= 1273, nxpk= 25, iat= 719,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 765, 766,
 &end
#
#   51 GLU  HN           51 GLU  HB+         3.50    (#   1274:25  Unique         2.02, 2.78 A
)
 &rst
  ixpk= 1274, nxpk= 25, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 765, 766,
 &end
#
#   48 ALA  HA           51 GLU  HB+         3.50    (#   1275:25  Unique         2.25, 2.98 A
)
 &rst
  ixpk= 1275, nxpk= 25, iat= 719,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 765, 766,
 &end
#
#  110 GLU  HN          110 GLU  HB-         2.80    (#   1276:25  Unique         2.08, 2.92 A
)
 &rst
  ixpk= 1276, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1631,1632,
 &end
#
#    0 AMB  25-2:1278   110 GLU  HB-         2.80    (#   1278:25  Single Ambig
)
 &rst
  ixpk= 1278, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1629,1601,1602,
 igr2=1631,1632,
 &end
#
#  110 GLU  HN          110 GLU  HB+         3.50    (#   1279:25  Unique         2.08, 2.92 A
)
 &rst
  ixpk= 1279, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1631,1632,
 &end
#
#    0 AMB  25-2:1281     0 AMB  25-1:1281   2.80    (#   1281:25  Double Ambig
)
 &rst
  ixpk= 1281, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1629,1601,1602,
 igr2=1631,1632,1631,1632,
 &end
#
#    0 AMB  25-2:1284     0 AMB  25-1:1284   3.50    (#   1284:25  Double Ambig
)
 &rst
  ixpk= 1284, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1763,1888,
 igr2=1767,1768,1877,1878,
 &end
#
#    0 AMB  25-2:1286     0 AMB  25-1:1286   4.50    (#   1286:25  Double Ambig
)
 &rst
  ixpk= 1286, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 768, 769,1784,
 igr2= 748, 749,1767,1768,
 &end
#
#   55 ILE  HB           50 MET  HB-         3.50    (#   1287:25  Unique         2.21, 3.12 A
)
 &rst
  ixpk= 1287, nxpk= 25, iat= 818,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 748, 749,
 &end
#
#  101 LEU  MDX         118 GLN  HB-         2.80    (#   1288:25  Unique         2.23, 3.83 A
)
 &rst
  ixpk= 1288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1510,1511,1512,1514,1515,1516,
 igr2=1767,1768,
 &end
#
#    2 LYS  HA            2 LYS  HD+         3.50    (#   1289:25  Unique         2.08, 2.76 A
)
 &rst
  ixpk= 1289, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  31,  32,
 &end
#
#    0 AMB  25-2:1291     0 AMB  25-1:1291   3.50    (#   1291:25  Double Ambig
)
 &rst
  ixpk= 1291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1978,1979,1980,1407,1408,1409,
 igr2=  31,  32,  31,  32,
 &end
#
#   65 ILE  HA           65 ILE  HG1-        3.50    (#   1293:25  Unique         2.19, 2.58 A
)
 &rst
  ixpk= 1293, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   65 ILE  QD1          65 ILE  HG1-        3.50    (#   1295:25  Unique         2.31, 2.66 A
)
 &rst
  ixpk= 1295, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 963, 964, 965,
 igr2= 960, 961,
 &end
#
#   65 ILE  QD1          65 ILE  HG1+        3.50    (#   1297:25  Unique         2.31, 2.66 A
)
 &rst
  ixpk= 1297, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 963, 964, 965,
 igr2= 960, 961,
 &end
#
#   42 VAL  MGY          60 GLN  HB-         4.50    (#   1301:25  Unique         2.89, 7.07 A
)
 &rst
  ixpk= 1301, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 886, 887,
 &end
#
#    3 LYS  HE+           3 LYS  HD+         2.80    (#   1302:25  Unique         2.45, 2.76 A
)
 &rst
  ixpk= 1302, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  56,  57,
 igr2=  53,  54,
 &end
#
#   66 GLU  HN           66 GLU  HB+         2.80    (#   1306:25  Unique         2.42, 3.05 A
)
 &rst
  ixpk= 1306, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 973, 974,
 &end
#
#    6 PHE  HD           79 LEU  HG          4.50    (#   1314:25  Unique         3.19, 5.86 A
)
 &rst
  ixpk= 1314, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#   14 ARG  HB-          79 LEU  HG          4.50    (#   1317:25  Unique         3.97, 4.61 A
)
 &rst
  ixpk= 1317, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 231, 232,
 &end
#
#   79 LEU  MDX          79 LEU  HG          2.80    (#   1319:25  Unique         2.30, 2.64 A
)
 &rst
  ixpk= 1319, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   95 ILE  HA           95 ILE  HG1-        3.50    (#   1322:25  Unique         2.27, 2.74 A
)
 &rst
  ixpk= 1322, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:1323    95 ILE  HG1-        2.80    (#   1323:25  Single Ambig
)
 &rst
  ixpk= 1323, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1386,1387,1383,1384,
 igr2=1404,1405,
 &end
#
#   95 ILE  HA           95 ILE  HG1+        3.50    (#   1325:25  Unique         2.27, 2.74 A
)
 &rst
  ixpk= 1325, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#   95 ILE  HB           95 ILE  HG1+        3.50    (#   1326:25  Unique         2.35, 2.70 A
)
 &rst
  ixpk= 1326, nxpk= 25, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:1328     0 AMB  25-1:1328   2.80    (#   1328:25  Double Ambig
)
 &rst
  ixpk= 1328, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1407,1408,1409,1400,1401,1402,1105,1106,1107,1109,
      1110,1111,
 igr2=1404,1405,1404,1405,1404,1405,
 &end
#
#   47 ILE  HA           57 ILE  HG1-        3.50    (#   1329:25  Unique         1.94, 2.85 A
)
 &rst
  ixpk= 1329, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#   57 ILE  QD1          57 ILE  HG1-        3.50    (#   1330:25  Unique         2.24, 2.64 A
)
 &rst
  ixpk= 1330, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 858, 859, 860,
 igr2= 855, 856,
 &end
#
#   25 LEU  HN           25 LEU  HG          2.80    (#   1335:25  Unique         2.24, 2.26 A
)
 &rst
  ixpk= 1335, nxpk= 25, iat= 394, 401, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 LEU  HB+          25 LEU  HG          2.80    (#   1336:25  Unique         2.56, 2.82 A
)
 &rst
  ixpk= 1336, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 398, 399,
 &end
#
#    0 AMB  25-2:1337    25 LEU  HG          4.50    (#   1337:25  Single Ambig
)
 &rst
  ixpk= 1337, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1863,1864,1865,1867,1868,1869, 797, 798, 799, 801,
       802, 803,
 &end
#
#   70 ALA  MB           89 GLU  HB+         3.50    (#   1338:25  Unique         2.30, 4.71 A
)
 &rst
  ixpk= 1338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1297,1298,
 &end
#
#   89 GLU  HN           89 GLU  HB+         3.50    (#   1339:25  Unique         2.42, 3.07 A
)
 &rst
  ixpk= 1339, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1297,1298,
 &end
#
#   89 GLU  HA           89 GLU  HB+         2.80    (#   1340:25  Unique         2.30, 2.72 A
)
 &rst
  ixpk= 1340, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1297,1298,
 &end
#
#    0 AMB  25-2:1341     0 AMB  25-1:1341   2.80    (#   1341:25  Double Ambig
)
 &rst
  ixpk= 1341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1300,1301,1300,1301,
 igr2=1297,1298,1297,1298,
 &end
#
#   89 GLU  HA           89 GLU  HB-         2.80    (#   1343:25  Unique         2.30, 2.72 A
)
 &rst
  ixpk= 1343, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1297,1298,
 &end
#
#    0 AMB  25-2:1344     0 AMB  25-1:1344   2.80    (#   1344:25  Double Ambig
)
 &rst
  ixpk= 1344, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1300,1301,1300,1301, 149, 150,
 igr2=1297,1298, 174, 175,
 &end
#
#   10 ARG  HD-          10 ARG  HG+         2.80    (#   1346:25  Unique         2.24, 2.64 A
)
 &rst
  ixpk= 1346, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 177, 178,
 igr2= 174, 175,
 &end
#
#   95 ILE  QD1          95 ILE  HG1-        2.80    (#   1347:25  Unique         2.36, 2.63 A
)
 &rst
  ixpk= 1347, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1407,1408,1409,
 igr2=1404,1405,
 &end
#
#   47 ILE  HA           57 ILE  HG1+        3.50    (#   1348:25  Unique         1.94, 2.85 A
)
 &rst
  ixpk= 1348, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 855, 856,
 &end
#
#    0 AMB  25-2:1349     0 AMB  25-1:1349   4.50    (#   1349:25  Double Ambig
)
 &rst
  ixpk= 1349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1767,1768, 889, 890,
 igr2=1508, 855, 856,
 &end
#
#    0 AMB  25-2:1350     0 AMB  25-1:1350   3.50    (#   1350:25  Double Ambig
)
 &rst
  ixpk= 1350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 751, 752, 849,
 igr2= 855, 856, 855, 856,
 &end
#
#   82 CYS  HN           82 CYS  HB+         3.50    (#   1354:25  Unique         2.43, 3.25 A
)
 &rst
  ixpk= 1354, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1202,1203,
 &end
#
#   82 CYS  HA           82 CYS  HB+         2.80    (#   1356:25  Unique         2.34, 2.74 A
)
 &rst
  ixpk= 1356, nxpk= 25, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1202,1203,
 &end
#
#   88 PRO  HD+          88 PRO  HG-         2.80    (#   1357:25  Unique         2.29, 2.60 A
)
 &rst
  ixpk= 1357, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1283,1284,
 &end
#
#   88 PRO  HD+          88 PRO  HG+         2.80    (#   1358:25  Unique         2.29, 2.60 A
)
 &rst
  ixpk= 1358, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1283,1284,
 &end
#
#   44 PRO  HD+          44 PRO  HG+         2.80    (#   1359:25  Unique         2.26, 2.60 A
)
 &rst
  ixpk= 1359, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   24 THR  HB           25 LEU  HG          2.80    (#   1360:25  Unique         2.88, 2.92 A
)
 &rst
  ixpk= 1360, nxpk= 25, iat= 384, 401, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   44 PRO  HD-          44 PRO  HG-         3.50    (#   1361:25  Unique         2.26, 2.60 A
)
 &rst
  ixpk= 1361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   44 PRO  HD+          44 PRO  HG-         3.50    (#   1362:25  Unique         2.26, 2.60 A
)
 &rst
  ixpk= 1362, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 664, 665,
 &end
#
#   37 LEU  HB+          37 LEU  HG          2.80    (#   1363:25  Unique         2.47, 2.80 A
)
 &rst
  ixpk= 1363, nxpk= 25, iat=  -1, 554, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 551, 552,
 &end
#
#   10 ARG  HA           10 ARG  HG+         3.50    (#   1364:25  Unique         3.46, 3.84 A
)
 &rst
  ixpk= 1364, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 174, 175,
 &end
#
#   10 ARG  HB-          10 ARG  HG+         2.80    (#   1365:25  Unique         2.29, 2.76 A
)
 &rst
  ixpk= 1365, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 171, 172,
 igr2= 174, 175,
 &end
#
#  126 LEU  HB+         126 LEU  HG          2.80    (#   1366:25  Unique         2.54, 2.83 A
)
 &rst
  ixpk= 1366, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#    0 AMB  25-2:1367   126 LEU  HG          2.80    (#   1367:25  Single Ambig
)
 &rst
  ixpk= 1367, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#  130 ILE  QD1         126 LEU  HG          3.50    (#   1368:25  Unique         3.94, 4.60 A
)
 &rst
  ixpk= 1368, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1985,1986,1987,
 &end
#
#  122 ARG  HD+         122 ARG  HG+         3.50    (#   1369:25  Unique         2.32, 2.76 A
)
 &rst
  ixpk= 1369, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,
 igr2=1840,1841,
 &end
#
#  122 ARG  HA          122 ARG  HG-         3.50    (#   1371:25  Unique         2.49, 2.79 A
)
 &rst
  ixpk= 1371, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  101 LEU  HB+         101 LEU  HG          2.80    (#   1372:25  Unique         2.27, 2.45 A
)
 &rst
  ixpk= 1372, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#    6 PHE  HD           79 LEU  MDX         3.50    (#   1373:25  Unique         2.08, 5.17 A
)
 &rst
  ixpk= 1373, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 106, 114,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   15 SER  HA           79 LEU  MDX         3.50    (#   1374:25  Unique         2.13, 3.53 A
)
 &rst
  ixpk= 1374, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    6 PHE  HB-          79 LEU  MDX         3.50    (#   1375:25  Unique         2.18, 4.28 A
)
 &rst
  ixpk= 1375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 102, 103,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB+          79 LEU  MDX         4.50    (#   1376:25  Unique         2.32, 3.32 A
)
 &rst
  ixpk= 1376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   14 ARG  HB-          79 LEU  MDX         3.50    (#   1377:25  Unique         2.12, 4.14 A
)
 &rst
  ixpk= 1377, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 231, 232,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HB-          79 LEU  MDX         3.50    (#   1378:25  Unique         2.32, 3.32 A
)
 &rst
  ixpk= 1378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1165,1166,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   18 ALA  MB           79 LEU  MDX         3.50    (#   1379:25  Unique         2.78, 4.67 A
)
 &rst
  ixpk= 1379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   77 ILE  QG2          79 LEU  MDX         3.50    (#   1380:25  Unique         2.31, 4.45 A
)
 &rst
  ixpk= 1380, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1137,1138,1139,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   86 LEU  HN           86 LEU  HG          3.50    (#   1383:25  Unique         1.90, 2.15 A
)
 &rst
  ixpk= 1383, nxpk= 25, iat=1246,1253, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  HB-          86 LEU  HG          3.50    (#   1384:25  Unique         2.37, 2.76 A
)
 &rst
  ixpk= 1384, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1250,1251,
 &end
#
#   37 LEU  HN           37 LEU  HG          4.50    (#   1385:25  Unique         2.18, 2.46 A
)
 &rst
  ixpk= 1385, nxpk= 25, iat= 547, 554, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 LEU  HA           37 LEU  HG          3.50    (#   1386:25  Unique         2.34, 2.81 A
)
 &rst
  ixpk= 1386, nxpk= 25, iat= 549, 554, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HA           55 ILE  HG1-        3.50    (#   1387:25  Unique         2.77, 2.94 A
)
 &rst
  ixpk= 1387, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 824, 825,
 &end
#
#    0 AMB  25-2:1388    55 ILE  HG1-        3.50    (#   1388:25  Single Ambig
)
 &rst
  ixpk= 1388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1= 818, 797, 798, 799, 801, 802, 803,
 igr2= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HG1-        2.80    (#   1390:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 1390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 827, 828, 829,
 igr2= 824, 825,
 &end
#
#   55 ILE  HA           55 ILE  HG1+        3.50    (#   1391:25  Unique         2.77, 2.94 A
)
 &rst
  ixpk= 1391, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 824, 825,
 &end
#
#   55 ILE  QG2          55 ILE  HG1+        3.50    (#   1392:25  Unique         2.48, 3.43 A
)
 &rst
  ixpk= 1392, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HG1+        3.50    (#   1394:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 1394, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 827, 828, 829,
 igr2= 824, 825,
 &end
#
#   64 PRO  HD+          64 PRO  HG+         2.80    (#   1397:25  Unique         2.30, 2.60 A
)
 &rst
  ixpk= 1397, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 937, 938,
 igr2= 940, 941,
 &end
#
#    0 AMB  25-2:1398     0 AMB  25-1:1398   2.80    (#   1398:25  Double Ambig
)
 &rst
  ixpk= 1398, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 988, 989, 943, 944,
 igr2= 940, 941, 940, 941,
 &end
#
#  109 LEU  HB-         109 LEU  HG          3.50    (#   1399:25  Unique         2.51, 2.78 A
)
 &rst
  ixpk= 1399, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1612,1613,
 &end
#
#  109 LEU  MDX         109 LEU  HG          2.80    (#   1400:25  Unique         2.45, 2.67 A
)
 &rst
  ixpk= 1400, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  HN          109 LEU  HG          3.50    (#   1401:25  Unique         2.20, 2.34 A
)
 &rst
  ixpk= 1401, nxpk= 25, iat=1608,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 LEU  MDY         109 LEU  HG          2.80    (#   1402:25  Unique         2.45, 2.67 A
)
 &rst
  ixpk= 1402, nxpk= 25, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:1403     0 AMB  25-1:1403   3.50    (#   1403:25  Double Ambig
)
 &rst
  ixpk= 1403, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
 igr1=1554,1555,1722,1723,1724,1726,1727,1728,1722,1723,
      1724,1726,1727,1728,
 igr2=1551,1552,1551,1552,1551,1552,
 &end
#
#  104 PRO  HD+         104 PRO  HG+         3.50    (#   1407:25  Unique         2.30, 2.60 A
)
 &rst
  ixpk= 1407, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#  104 PRO  HD+         104 PRO  HG-         3.50    (#   1409:25  Unique         2.30, 2.60 A
)
 &rst
  ixpk= 1409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1548,1549,
 igr2=1551,1552,
 &end
#
#   94 GLU  HN           93 GLN  HB+         3.50    (#   1413:25  Unique         1.99, 2.62 A
)
 &rst
  ixpk= 1413, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   93 GLN  HA           93 GLN  HB+         3.50    (#   1414:25  Unique         2.41, 2.76 A
)
 &rst
  ixpk= 1414, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   93 GLN  HG+          93 GLN  HB+         3.50    (#   1416:25  Unique         2.37, 2.60 A
)
 &rst
  ixpk= 1416, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1366,1367,
 &end
#
#   93 GLN  HG+          93 GLN  HB-         3.50    (#   1419:25  Unique         2.37, 2.60 A
)
 &rst
  ixpk= 1419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1366,1367,
 &end
#
#    0 AMB  25-2:1420     0 AMB  25-1:1420   2.80    (#   1420:25  Double Ambig
)
 &rst
  ixpk= 1420, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1369,1370, 149, 150,
 igr2=1366,1367, 152, 153,
 &end
#
#   94 GLU  HN           93 GLN  HB-         3.50    (#   1421:25  Unique         1.99, 2.62 A
)
 &rst
  ixpk= 1421, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#   99 TRP  HZ2         126 LEU  MDX         4.50    (#   1423:25  Unique         2.25, 4.43 A
)
 &rst
  ixpk= 1423, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  126 LEU  HB+         126 LEU  MDX         3.50    (#   1425:25  Unique         2.21, 3.27 A
)
 &rst
  ixpk= 1425, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1906,1907,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  126 LEU  HB-         126 LEU  MDX         2.80    (#   1426:25  Unique         2.21, 3.27 A
)
 &rst
  ixpk= 1426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1906,1907,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  25-2:1427   126 LEU  MDX         3.50    (#   1427:25  Single Ambig
)
 &rst
  ixpk= 1427, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1960,1961,1960,1961,1398,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  126 LEU  HG          126 LEU  MDX         2.80    (#   1428:25  Unique         2.15, 2.65 A
)
 &rst
  ixpk= 1428, nxpk= 25, iat=1909,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  25-2:1429   126 LEU  MDX         3.50    (#   1429:25  Single Ambig
)
 &rst
  ixpk= 1429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1=1863,1864,1865,1867,1868,1869,1982,1983,1135,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  25-2:1430   126 LEU  MDX         2.80    (#   1430:25  Single Ambig
)
 &rst
  ixpk= 1430, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.93, r4= 6.68,
 igr1=1985,1986,1987,  71,  72,  73,  75,  76,  77,1105,
      1106,1107,1109,1110,1111,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#   77 ILE  HG1+        126 LEU  MDX         4.50    (#   1431:25  Unique         2.08, 3.82 A
)
 &rst
  ixpk= 1431, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1141,1142,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#   77 ILE  QD1         126 LEU  MDX         3.50    (#   1432:25  Unique         2.26, 5.03 A
)
 &rst
  ixpk= 1432, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1144,1145,1146,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#    4 VAL  MGY         126 LEU  MDX         3.50    (#   1433:25  Unique         2.16, 4.40 A
)
 &rst
  ixpk= 1433, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  71,  72,  73,  75,  76,  77,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#    9 LYS  HB-           9 LYS  HG-         2.80    (#   1435:25  Unique         2.39, 2.77 A
)
 &rst
  ixpk= 1435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 149, 150,
 igr2= 152, 153,
 &end
#
#   23 LYS  HB+          23 LYS  HG-         2.80    (#   1438:25  Unique         2.37, 2.75 A
)
 &rst
  ixpk= 1438, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 362, 363,
 igr2= 365, 366,
 &end
#
#    0 AMB  25-2:1439     2 LYS  HG-         3.50    (#   1439:25  Single Ambig
)
 &rst
  ixpk= 1439, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  23,   6,
 igr2=  28,  29,
 &end
#
#    0 AMB  25-2:1440    37 LEU  MDX         3.50    (#   1440:25  Single Ambig
)
 &rst
  ixpk= 1440, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 549, 147,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:1441    37 LEU  MDX         2.80    (#   1441:25  Single Ambig
)
 &rst
  ixpk= 1441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 551, 552, 149, 150,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:1442    37 LEU  MDX         2.80    (#   1442:25  Single Ambig
)
 &rst
  ixpk= 1442, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 551, 552, 554,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:1443    86 LEU  MDY         3.50    (#   1443:25  Single Ambig
)
 &rst
  ixpk= 1443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1312,1313,1280,1281,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HB+          86 LEU  MDY         3.50    (#   1444:25  Unique         2.31, 3.33 A
)
 &rst
  ixpk= 1444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1250,1251,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   96 PHE  HE           86 LEU  MDY         3.50    (#   1445:25  Unique         2.27, 5.93 A
)
 &rst
  ixpk= 1445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1423,1427,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:1446    86 LEU  MDY         3.50    (#   1446:25  Single Ambig
)
 &rst
  ixpk= 1446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1154,1155,1280,1281,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:1447    86 LEU  MDY         2.80    (#   1447:25  Single Ambig
)
 &rst
  ixpk= 1447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1253, 554,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HB-          86 LEU  MDY         3.50    (#   1448:25  Unique         2.31, 3.33 A
)
 &rst
  ixpk= 1448, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1250,1251,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   76 VAL  MGY          86 LEU  MDY         3.50    (#   1449:25  Unique         2.64, 6.70 A
)
 &rst
  ixpk= 1449, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   91 VAL  MGY          86 LEU  MDY         4.50    (#   1450:25  Unique         2.28, 6.94 A
)
 &rst
  ixpk= 1450, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   23 LYS  HE+          23 LYS  HG-         2.80    (#   1452:25  Unique         2.28, 2.90 A
)
 &rst
  ixpk= 1452, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 371, 372,
 igr2= 365, 366,
 &end
#
#   21 PHE  HB-          25 LEU  MDX         3.50    (#   1453:25  Unique         2.37, 4.70 A
)
 &rst
  ixpk= 1453, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  130 ILE  HN          130 ILE  HG1-        3.50    (#   1457:25  Unique         1.86, 2.43 A
)
 &rst
  ixpk= 1457, nxpk= 25, iat=1972,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1982,1983,
 &end
#
#  127 ILE  HA          130 ILE  HG1-        3.50    (#   1458:25  Unique         1.98, 2.34 A
)
 &rst
  ixpk= 1458, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1982,1983,
 &end
#
#    0 AMB  25-2:1459     0 AMB  25-1:1459   2.80    (#   1459:25  Double Ambig
)
 &rst
  ixpk= 1459, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1972, 459,
 igr2=1982,1983, 469, 470,
 &end
#
#   25 LEU  HA           25 LEU  MDX         4.50    (#   1460:25  Unique         2.22, 3.88 A
)
 &rst
  ixpk= 1460, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  124 GLU  HA           25 LEU  MDX         3.50    (#   1461:25  Unique         2.91, 4.72 A
)
 &rst
  ixpk= 1461, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   21 PHE  HB+          25 LEU  MDX         3.50    (#   1462:25  Unique         2.37, 4.70 A
)
 &rst
  ixpk= 1462, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  124 GLU  HG-          25 LEU  MDX         3.50    (#   1463:25  Unique         2.27, 3.43 A
)
 &rst
  ixpk= 1463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1880,1881,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   25 LEU  HB+          25 LEU  MDX         2.80    (#   1464:25  Unique         2.35, 3.27 A
)
 &rst
  ixpk= 1464, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 398, 399,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#  124 GLU  HG+          25 LEU  MDX         2.80    (#   1466:25  Unique         2.27, 3.43 A
)
 &rst
  ixpk= 1466, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1880,1881,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#    0 AMB  25-2:1467     0 AMB  25-1:1467   2.80    (#   1467:25  Double Ambig
)
 &rst
  ixpk= 1467, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 401, 738, 739, 740,
 igr2= 403, 404, 405, 407, 408, 409,1617,1618,1619,1621,
      1622,1623,
 &end
#
#    0 AMB  25-2:1468   109 LEU  MDX         2.80    (#   1468:25  Single Ambig
)
 &rst
  ixpk= 1468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1612,1613,1615,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  HB-         109 LEU  MDX         2.80    (#   1469:25  Unique         2.43, 3.33 A
)
 &rst
  ixpk= 1469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1612,1613,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   41 ARG  HB+          41 ARG  HG+         2.80    (#   1475:25  Unique         2.32, 2.75 A
)
 &rst
  ixpk= 1475, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 607, 608,
 igr2= 610, 611,
 &end
#
#   29 LYS  HA           29 LYS  HG+         3.50    (#   1476:25  Unique         3.64, 3.97 A
)
 &rst
  ixpk= 1476, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 444, 445,
 &end
#
#    0 AMB  25-2:1478     0 AMB  25-1:1478   4.50    (#   1478:25  Double Ambig
)
 &rst
  ixpk= 1478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 492, 401,1906,1907,
 igr2= 469, 470,1863,1864,1865,1867,1868,1869,1982,1983,
      
 &end
#
#    0 AMB  25-2:1480    30 ILE  HG1-        2.80    (#   1480:25  Single Ambig
)
 &rst
  ixpk= 1480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2= 469, 470,
 &end
#
#    3 LYS  HA            3 LYS  HG+         3.50    (#   1481:25  Unique         2.31, 2.40 A
)
 &rst
  ixpk= 1481, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#   30 ILE  HN           30 ILE  HG1+        3.50    (#   1482:25  Unique         2.66, 2.95 A
)
 &rst
  ixpk= 1482, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 469, 470,
 &end
#
#    0 AMB  25-2:1483     0 AMB  25-1:1483   3.50    (#   1483:25  Double Ambig
)
 &rst
  ixpk= 1483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 447, 448, 463,
 igr2= 469, 470, 469, 470,
 &end
#
#   30 ILE  QD1          30 ILE  HG1+        2.80    (#   1485:25  Unique         2.37, 2.66 A
)
 &rst
  ixpk= 1485, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 472, 473, 474,
 igr2= 469, 470,
 &end
#
#   77 ILE  QD1          77 ILE  HG1-        2.80    (#   1487:25  Unique         2.35, 2.66 A
)
 &rst
  ixpk= 1487, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1144,1145,1146,
 igr2=1141,1142,
 &end
#
#   77 ILE  QD1          77 ILE  HG1+        2.80    (#   1489:25  Unique         2.35, 2.66 A
)
 &rst
  ixpk= 1489, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1144,1145,1146,
 igr2=1141,1142,
 &end
#
#  123 VAL  HN          123 VAL  MGY         2.80    (#   1490:25  Unique         2.13, 3.79 A
)
 &rst
  ixpk= 1490, nxpk= 25, iat=1857,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    6 PHE  HZ          123 VAL  MGY         2.80    (#   1492:25  Unique         2.30, 3.48 A
)
 &rst
  ixpk= 1492, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  HA          123 VAL  MGY         2.80    (#   1493:25  Unique         2.56, 3.17 A
)
 &rst
  ixpk= 1493, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   18 ALA  HA          123 VAL  MGY         2.80    (#   1494:25  Unique         2.22, 4.08 A
)
 &rst
  ixpk= 1494, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   21 PHE  HB-         123 VAL  MGY         3.50    (#   1495:25  Unique         2.43, 4.14 A
)
 &rst
  ixpk= 1495, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  HB          123 VAL  MGY         2.80    (#   1496:25  Unique         2.32, 2.64 A
)
 &rst
  ixpk= 1496, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   18 ALA  MB          123 VAL  MGY         3.50    (#   1498:25  Unique         2.23, 4.77 A
)
 &rst
  ixpk= 1498, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:1499   120 LYS  HG-         2.80    (#   1499:25  Single Ambig
)
 &rst
  ixpk= 1499, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1806,1807,1800,1801,
 igr2=1803,1804,
 &end
#
#  120 LYS  HA          120 LYS  HG+         3.50    (#   1504:25  Unique         2.57, 2.94 A
)
 &rst
  ixpk= 1504, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1803,1804,
 &end
#
#    0 AMB  25-2:1505     0 AMB  25-1:1505   2.80    (#   1505:25  Double Ambig
)
 &rst
  ixpk= 1505, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1806,1807,1800,1801,
 igr2=1803,1804,1803,1804,
 &end
#
#  119 VAL  HN          119 VAL  MGY         3.50    (#   1507:25  Unique         2.33, 3.91 A
)
 &rst
  ixpk= 1507, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:1508   119 VAL  MGY         4.50    (#   1508:25  Single Ambig
)
 &rst
  ixpk= 1508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1734,1765,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  HA          119 VAL  MGY         3.50    (#   1509:25  Unique         2.45, 3.16 A
)
 &rst
  ixpk= 1509, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:1510   119 VAL  MGY         2.80    (#   1510:25  Single Ambig
)
 &rst
  ixpk= 1510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1784, 283, 284,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:1511   119 VAL  MGY         3.50    (#   1511:25  Single Ambig
)
 &rst
  ixpk= 1511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 283, 284, 290, 291, 292,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:1512   119 VAL  MGY         4.50    (#   1512:25  Single Ambig
)
 &rst
  ixpk= 1512, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1739,1740,1736,1737,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  101 LEU  HB+         119 VAL  MGY         3.50    (#   1513:25  Unique         3.61, 5.75 A
)
 &rst
  ixpk= 1513, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1505,1506,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:1514   119 VAL  MGY         2.80    (#   1514:25  Single Ambig
)
 &rst
  ixpk= 1514, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1722,1723,1724,1726,1727,1728,1508,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   76 VAL  MGY          86 LEU  MDX         4.50    (#   1515:25  Unique         2.64, 6.70 A
)
 &rst
  ixpk= 1515, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HA           86 LEU  MDX         3.50    (#   1516:25  Unique         2.12, 3.81 A
)
 &rst
  ixpk= 1516, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:1517    86 LEU  MDX         4.50    (#   1517:25  Single Ambig
)
 &rst
  ixpk= 1517, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1154,1155,1280,1281,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:1518    86 LEU  MDX         4.50    (#   1518:25  Single Ambig
)
 &rst
  ixpk= 1518, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1312,1313,1280,1281,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:1519    86 LEU  MDX         2.80    (#   1519:25  Single Ambig
)
 &rst
  ixpk= 1519, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1253, 554,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HB-          86 LEU  MDX         3.50    (#   1521:25  Unique         2.31, 3.33 A
)
 &rst
  ixpk= 1521, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1250,1251,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   65 ILE  QD1          86 LEU  MDX         4.50    (#   1522:25  Unique         2.54, 4.73 A
)
 &rst
  ixpk= 1522, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 963, 964, 965,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#  111 VAL  HA          115 VAL  MGY         4.50    (#   1524:25  Unique         3.60, 6.02 A
)
 &rst
  ixpk= 1524, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HN          115 VAL  MGY         2.80    (#   1525:25  Unique         2.22, 3.83 A
)
 &rst
  ixpk= 1525, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  104 PRO  HD+         115 VAL  MGY         4.50    (#   1526:25  Unique         2.24, 4.36 A
)
 &rst
  ixpk= 1526, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1548,1549,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HA          115 VAL  MGY         2.80    (#   1527:25  Unique         2.39, 3.14 A
)
 &rst
  ixpk= 1527, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#   17 MET  ME          115 VAL  MGY         4.50    (#   1528:25  Unique         2.46, 5.20 A
)
 &rst
  ixpk= 1528, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 290, 291, 292,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HB          115 VAL  MGY         2.80    (#   1529:25  Unique         2.39, 2.67 A
)
 &rst
  ixpk= 1529, nxpk= 25, iat=1720,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  102 GLU  HB-         115 VAL  MGY         2.80    (#   1530:25  Unique         2.42, 5.13 A
)
 &rst
  ixpk= 1530, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1524,1525,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  104 PRO  HG+         115 VAL  MGY         4.50    (#   1531:25  Unique         2.39, 3.82 A
)
 &rst
  ixpk= 1531, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1551,1552,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  111 VAL  MGX         115 VAL  MGY         3.50    (#   1532:25  Unique         2.79, 6.56 A
)
 &rst
  ixpk= 1532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:1533   101 LEU  MDX         4.50    (#   1533:25  Single Ambig
)
 &rst
  ixpk= 1533, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1520,1780,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  101 LEU  HA          101 LEU  MDX         2.80    (#   1534:25  Unique         2.13, 3.43 A
)
 &rst
  ixpk= 1534, nxpk= 25, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  118 GLN  HB+         101 LEU  MDX         3.50    (#   1535:25  Unique         2.23, 3.83 A
)
 &rst
  ixpk= 1535, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1767,1768,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  122 ARG  HD-         101 LEU  MDX         4.50    (#   1536:25  Unique         2.44, 4.77 A
)
 &rst
  ixpk= 1536, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1843,1844,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  122 ARG  HD+         101 LEU  MDX         4.50    (#   1537:25  Unique         2.44, 4.77 A
)
 &rst
  ixpk= 1537, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1843,1844,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  118 GLN  HB-         101 LEU  MDX         3.50    (#   1538:25  Unique         2.23, 3.83 A
)
 &rst
  ixpk= 1538, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1767,1768,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  101 LEU  HB+         101 LEU  MDX         2.80    (#   1539:25  Unique         2.29, 3.54 A
)
 &rst
  ixpk= 1539, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1505,1506,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#    6 PHE  HD           32 VAL  MGY         3.50    (#   1541:25  Unique         2.14, 6.17 A
)
 &rst
  ixpk= 1541, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 106, 114,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:1542   126 LEU  MDY         2.80    (#   1542:25  Single Ambig
)
 &rst
  ixpk= 1542, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#   77 ILE  QD1         126 LEU  MDY         3.50    (#   1543:25  Unique         2.26, 5.03 A
)
 &rst
  ixpk= 1543, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1144,1145,1146,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  109 LEU  HA          109 LEU  MDY         2.80    (#   1544:25  Unique         2.14, 3.81 A
)
 &rst
  ixpk= 1544, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  HB-         109 LEU  MDY         3.50    (#   1545:25  Unique         2.43, 3.33 A
)
 &rst
  ixpk= 1545, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1612,1613,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   49 MET  ME          109 LEU  MDY         2.80    (#   1546:25  Unique         2.69, 5.25 A
)
 &rst
  ixpk= 1546, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 738, 739, 740,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:1547   109 LEU  MDY         2.80    (#   1547:25  Single Ambig
)
 &rst
  ixpk= 1547, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1612,1613,1615,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   45 THR  MG2         109 LEU  MDY         2.80    (#   1548:25  Unique         2.51, 4.85 A
)
 &rst
  ixpk= 1548, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 680, 681, 682,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:1549    32 VAL  MGY         3.50    (#   1549:25  Single Ambig
)
 &rst
  ixpk= 1549, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 504, 358,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HE           32 VAL  MGY         3.50    (#   1550:25  Unique         2.10, 5.78 A
)
 &rst
  ixpk= 1550, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 108, 112,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HA           32 VAL  MGY         3.50    (#   1551:25  Unique         2.37, 3.55 A
)
 &rst
  ixpk= 1551, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   19 GLU  HA           32 VAL  MGY         3.50    (#   1552:25  Unique         1.94, 3.50 A
)
 &rst
  ixpk= 1552, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  HB           32 VAL  MGY         2.80    (#   1553:25  Unique         2.32, 2.64 A
)
 &rst
  ixpk= 1553, nxpk= 25, iat= 492,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  MB           32 VAL  MGY         2.80    (#   1554:25  Unique         2.08, 4.17 A
)
 &rst
  ixpk= 1554, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 352, 353, 354,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   23 LYS  HG-          32 VAL  MGY         3.50    (#   1555:25  Unique         3.42, 5.98 A
)
 &rst
  ixpk= 1555, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 365, 366,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   21 PHE  HD          119 VAL  MGX         2.80    (#   1556:25  Unique         2.43, 7.00 A
)
 &rst
  ixpk= 1556, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 336, 344,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#    6 PHE  HZ          126 LEU  MDY         3.50    (#   1557:25  Unique         2.11, 4.08 A
)
 &rst
  ixpk= 1557, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#   18 ALA  HA          119 VAL  MGX         2.80    (#   1558:25  Unique         2.36, 4.45 A
)
 &rst
  ixpk= 1558, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#  119 VAL  HA          119 VAL  MGX         3.50    (#   1559:25  Unique         2.45, 3.16 A
)
 &rst
  ixpk= 1559, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   99 TRP  HZ2         126 LEU  MDY         3.50    (#   1561:25  Unique         2.25, 4.43 A
)
 &rst
  ixpk= 1561, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#    0 AMB  25-2:1562     0 AMB  25-1:1562   3.50    (#   1562:25  Double Ambig
)
 &rst
  ixpk= 1562, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1859,1875,
 igr2=1911,1912,1913,1915,1916,1917, 403, 404, 405, 407,
       408, 409,
 &end
#
#    0 AMB  25-2:1563     0 AMB  25-1:1563   2.80    (#   1563:25  Double Ambig
)
 &rst
  ixpk= 1563, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1906,1907,1784, 283, 284,
 igr2=1911,1912,1913,1915,1916,1917,1786,1787,1788,1790,
      1791,1792,
 &end
#
#    0 AMB  25-2:1564     0 AMB  25-1:1564   2.80    (#   1564:25  Double Ambig
)
 &rst
  ixpk= 1564, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.65, r4= 7.40,
 igr1=1863,1864,1865,1867,1868,1869,1982,1983,1806,1807,
      
 igr2= 403, 404, 405, 407, 408, 409,1911,1912,1913,1915,
      1916,1917,1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  25-2:1565     0 AMB  25-1:1565   3.50    (#   1565:25  Double Ambig
)
 &rst
  ixpk= 1565, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 394,  81,
 igr2= 403, 404, 405, 407, 408, 409,1911,1912,1913,1915,
      1916,1917,
 &end
#
#   25 LEU  HA           25 LEU  MDY         2.80    (#   1566:25  Unique         2.22, 3.88 A
)
 &rst
  ixpk= 1566, nxpk= 25, iat= 396,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#    0 AMB  25-2:1567     0 AMB  25-1:1567   2.80    (#   1567:25  Double Ambig
)
 &rst
  ixpk= 1567, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1906,1907, 401,
 igr2=1911,1912,1913,1915,1916,1917, 403, 404, 405, 407,
       408, 409,
 &end
#
#    0 AMB  25-2:1568     0 AMB  25-1:1568   2.80    (#   1568:25  Double Ambig
)
 &rst
  ixpk= 1568, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1909, 398, 399,
 igr2=1911,1912,1913,1915,1916,1917, 403, 404, 405, 407,
       408, 409,
 &end
#
#   34 SER  HN           33 THR  MG2         2.80    (#   1570:25  Unique         2.94, 3.70 A
)
 &rst
  ixpk= 1570, nxpk= 25, iat= 518,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 510, 511, 512,
 &end
#
#   68 PHE  HE           33 THR  MG2         3.50    (#   1571:25  Unique         2.75, 3.97 A
)
 &rst
  ixpk= 1571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1008,1012,
 igr2= 510, 511, 512,
 &end
#
#  102 GLU  HB+         111 VAL  MGY         4.50    (#   1574:25  Unique         2.17, 4.02 A
)
 &rst
  ixpk= 1574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1524,1525,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HN          111 VAL  MGY         2.80    (#   1577:25  Unique         2.27, 3.87 A
)
 &rst
  ixpk= 1577, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HA          111 VAL  MGY         2.80    (#   1578:25  Unique         2.47, 3.16 A
)
 &rst
  ixpk= 1578, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:1580   111 VAL  MGY         2.80    (#   1580:25  Single Ambig
)
 &rst
  ixpk= 1580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1587,1588,1584,1585,1631,1632,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  112 PHE  HZ           45 THR  MG2         3.50    (#   1581:25  Unique         3.88, 4.50 A
)
 &rst
  ixpk= 1581, nxpk= 25, iat=1670,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 680, 681, 682,
 &end
#
#   45 THR  HA           45 THR  MG2         3.50    (#   1583:25  Unique         2.52, 3.18 A
)
 &rst
  ixpk= 1583, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 680, 681, 682,
 &end
#
#    0 AMB  25-2:1584    45 THR  MG2         2.80    (#   1584:25  Single Ambig
)
 &rst
  ixpk= 1584, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 678,1662,1663,
 igr2= 680, 681, 682,
 &end
#
#   49 MET  HG+          45 THR  MG2         3.50    (#   1585:25  Unique         2.97, 4.75 A
)
 &rst
  ixpk= 1585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 734, 735,
 igr2= 680, 681, 682,
 &end
#
#    0 AMB  25-2:1586    45 THR  MG2         3.50    (#   1586:25  Single Ambig
)
 &rst
  ixpk= 1586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 738, 739, 740, 664, 665,
 igr2= 680, 681, 682,
 &end
#
#   48 ALA  MB           45 THR  MG2         4.50    (#   1587:25  Unique         3.13, 4.78 A
)
 &rst
  ixpk= 1587, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 721, 722, 723,
 igr2= 680, 681, 682,
 &end
#
#  109 LEU  MDY          45 THR  MG2         2.80    (#   1588:25  Unique         2.51, 4.85 A
)
 &rst
  ixpk= 1588, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 680, 681, 682,
 &end
#
#    6 PHE  HZ          123 VAL  MGX         3.50    (#   1591:25  Unique         2.30, 3.48 A
)
 &rst
  ixpk= 1591, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:1592     0 AMB  25-1:1592   3.50    (#   1592:25  Double Ambig
)
 &rst
  ixpk= 1592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 371, 372, 332, 333,
 igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 &end
#
#   21 PHE  HB-         123 VAL  MGX         3.50    (#   1593:25  Unique         2.43, 4.14 A
)
 &rst
  ixpk= 1593, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  HB          123 VAL  MGX         2.80    (#   1594:25  Unique         2.32, 2.64 A
)
 &rst
  ixpk= 1594, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   22 ALA  MB            0 AMB  25-1:1595   2.80    (#   1595:25  Single Ambig
)
 &rst
  ixpk= 1595, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 352, 353, 354,
 igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 &end
#
#   32 VAL  HA           32 VAL  MGX         3.50    (#   1597:25  Unique         2.37, 3.55 A
)
 &rst
  ixpk= 1597, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   23 LYS  HA           32 VAL  MGX         3.50    (#   1598:25  Unique         2.78, 4.74 A
)
 &rst
  ixpk= 1598, nxpk= 25, iat= 360,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   37 LEU  HN           37 LEU  MDY         3.50    (#   1600:25  Unique         2.16, 4.35 A
)
 &rst
  ixpk= 1600, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  HA           37 LEU  MDY         2.80    (#   1601:25  Unique         2.14, 3.87 A
)
 &rst
  ixpk= 1601, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   65 ILE  QD1          37 LEU  MDY         3.50    (#   1603:25  Unique         2.40, 5.57 A
)
 &rst
  ixpk= 1603, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 963, 964, 965,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   61 THR  HN           61 THR  MG2         3.50    (#   1605:25  Unique         2.93, 3.66 A
)
 &rst
  ixpk= 1605, nxpk= 25, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 905, 906, 907,
 &end
#
#   61 THR  HA           61 THR  MG2         2.80    (#   1606:25  Unique         2.27, 3.04 A
)
 &rst
  ixpk= 1606, nxpk= 25, iat= 901,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 905, 906, 907,
 &end
#
#   61 THR  HB           61 THR  MG2         2.80    (#   1607:25  Unique         2.40, 2.64 A
)
 &rst
  ixpk= 1607, nxpk= 25, iat= 903,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 905, 906, 907,
 &end
#
#   22 ALA  HN          123 VAL  MGX         4.50    (#   1609:25  Unique         2.63, 3.95 A
)
 &rst
  ixpk= 1609, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:1610    32 VAL  MGX         4.50    (#   1610:25  Single Ambig
)
 &rst
  ixpk= 1610, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 504, 358,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    6 PHE  HE            0 AMB  25-1:1611   3.50    (#   1611:25  Single Ambig
)
 &rst
  ixpk= 1611, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 108, 112,
 igr2= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 &end
#
#    0 AMB  25-2:1612    32 VAL  MGX         4.50    (#   1612:25  Single Ambig
)
 &rst
  ixpk= 1612, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 480,  83,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#   22 ALA  HA          123 VAL  MGX         2.80    (#   1613:25  Unique         2.19, 3.82 A
)
 &rst
  ixpk= 1613, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   32 VAL  HB           32 VAL  MGX         2.80    (#   1614:25  Unique         2.32, 2.64 A
)
 &rst
  ixpk= 1614, nxpk= 25, iat= 492,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:1615     0 AMB  25-1:1615   3.50    (#   1615:25  Double Ambig
)
 &rst
  ixpk= 1615, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 901,1248,
 igr2= 633, 634, 635, 637, 638, 639, 556, 557, 558, 560,
       561, 562,
 &end
#
#    0 AMB  25-2:1617    42 VAL  MGY         4.50    (#   1617:25  Single Ambig
)
 &rst
  ixpk= 1617, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 886, 887, 889, 890,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#    0 AMB  25-2:1621   115 VAL  MGX         3.50    (#   1621:25  Single Ambig
)
 &rst
  ixpk= 1621, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1784,1767,1768, 283, 284,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HN          115 VAL  MGX         4.50    (#   1622:25  Unique         2.22, 3.83 A
)
 &rst
  ixpk= 1622, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  104 PRO  HD+         115 VAL  MGX         3.50    (#   1623:25  Unique         2.24, 4.36 A
)
 &rst
  ixpk= 1623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1548,1549,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HA          115 VAL  MGX         2.80    (#   1624:25  Unique         2.39, 3.14 A
)
 &rst
  ixpk= 1624, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  115 VAL  HB          115 VAL  MGX         2.80    (#   1625:25  Unique         2.39, 2.67 A
)
 &rst
  ixpk= 1625, nxpk= 25, iat=1720,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#   84 VAL  HA           84 VAL  MGY         3.50    (#   1627:25  Unique         2.42, 3.17 A
)
 &rst
  ixpk= 1627, nxpk= 25, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   80 CYS  HB-          84 VAL  MGY         3.50    (#   1628:25  Unique         2.24, 4.10 A
)
 &rst
  ixpk= 1628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1184,1185,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HB           84 VAL  MGY         2.80    (#   1629:25  Unique         2.38, 2.66 A
)
 &rst
  ixpk= 1629, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    0 AMB  25-2:1630    42 VAL  MGY         3.50    (#   1630:25  Single Ambig
)
 &rst
  ixpk= 1630, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 627, 643,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#    0 AMB  25-2:1631    42 VAL  MGY         2.80    (#   1631:25  Single Ambig
)
 &rst
  ixpk= 1631, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 629, 866,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#    0 AMB  25-2:1632    42 VAL  MGY         2.80    (#   1632:25  Single Ambig
)
 &rst
  ixpk= 1632, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 849, 269, 270,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   42 VAL  HB           42 VAL  MGY         2.80    (#   1633:25  Unique         2.29, 2.63 A
)
 &rst
  ixpk= 1633, nxpk= 25, iat= 631,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   57 ILE  QD1          42 VAL  MGY         2.80    (#   1634:25  Unique         2.29, 5.44 A
)
 &rst
  ixpk= 1634, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 858, 859, 860,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   16 GLN  HE2+         42 VAL  MGY         4.50    (#   1635:25  Unique         2.99, 5.50 A
)
 &rst
  ixpk= 1635, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 274, 275,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#    0 AMB  25-2:1636    49 MET  ME          3.50    (#   1636:25  Single Ambig
)
 &rst
  ixpk= 1636, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 727,1732,
 igr2= 738, 739, 740,
 &end
#
#   49 MET  HA           49 MET  ME          2.80    (#   1638:25  Unique         2.07, 3.26 A
)
 &rst
  ixpk= 1638, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 738, 739, 740,
 &end
#
#  112 PHE  HB-          49 MET  ME          4.50    (#   1639:25  Unique         2.19, 3.45 A
)
 &rst
  ixpk= 1639, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1662,1663,
 igr2= 738, 739, 740,
 &end
#
#   49 MET  HG+          49 MET  ME          2.80    (#   1640:25  Unique         2.29, 3.60 A
)
 &rst
  ixpk= 1640, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 734, 735,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:1641    49 MET  ME          3.50    (#   1641:25  Single Ambig
)
 &rst
  ixpk= 1641, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 731, 732, 783, 784,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:1642    49 MET  ME          2.80    (#   1642:25  Single Ambig
)
 &rst
  ixpk= 1642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1685,1686,1612,1613,
 igr2= 738, 739, 740,
 &end
#
#  109 LEU  MDX          49 MET  ME          3.50    (#   1643:25  Unique         2.69, 5.25 A
)
 &rst
  ixpk= 1643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 738, 739, 740,
 &end
#
#  109 LEU  MDY          49 MET  ME          2.80    (#   1644:25  Unique         2.69, 5.25 A
)
 &rst
  ixpk= 1644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2= 738, 739, 740,
 &end
#
#   45 THR  MG2          49 MET  ME          3.50    (#   1645:25  Unique         3.69, 5.16 A
)
 &rst
  ixpk= 1645, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 680, 681, 682,
 igr2= 738, 739, 740,
 &end
#
#  109 LEU  HA           49 MET  ME          4.50    (#   1646:25  Unique         2.74, 4.32 A
)
 &rst
  ixpk= 1646, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 738, 739, 740,
 &end
#
#  112 PHE  HB+          49 MET  ME          4.50    (#   1647:25  Unique         2.19, 3.45 A
)
 &rst
  ixpk= 1647, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1662,1663,
 igr2= 738, 739, 740,
 &end
#
#  118 GLN  HE2+        114 THR  MG2         4.50    (#   1648:25  Unique         2.28, 3.90 A
)
 &rst
  ixpk= 1648, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1775,1776,
 igr2=1708,1709,1710,
 &end
#
#  118 GLN  HE2-        114 THR  MG2         4.50    (#   1649:25  Unique         2.28, 3.90 A
)
 &rst
  ixpk= 1649, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1775,1776,
 igr2=1708,1709,1710,
 &end
#
#  114 THR  HB          114 THR  MG2         2.80    (#   1650:25  Unique         2.37, 2.64 A
)
 &rst
  ixpk= 1650, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1708,1709,1710,
 &end
#
#  114 THR  HA          114 THR  MG2         2.80    (#   1651:25  Unique         2.48, 3.15 A
)
 &rst
  ixpk= 1651, nxpk= 25, iat=1704,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1708,1709,1710,
 &end
#
#    0 AMB  25-2:1653    92 THR  MG2         3.50    (#   1653:25  Single Ambig
)
 &rst
  ixpk= 1653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1348,1332,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  25-2:1654    92 THR  MG2         3.50    (#   1654:25  Single Ambig
)
 &rst
  ixpk= 1654, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1350,1352,
 igr2=1354,1355,1356,
 &end
#
#   91 VAL  MGX          92 THR  MG2         2.80    (#   1655:25  Unique         2.19, 5.36 A
)
 &rst
  ixpk= 1655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1354,1355,1356,
 &end
#
#    0 AMB  25-2:1657    76 VAL  MGY         3.50    (#   1657:25  Single Ambig
)
 &rst
  ixpk= 1657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1131,1115,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:1658    76 VAL  MGY         3.50    (#   1658:25  Single Ambig
)
 &rst
  ixpk= 1658, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1421,1429,1423,1427,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB+          76 VAL  MGY         3.50    (#   1659:25  Unique         2.08, 4.33 A
)
 &rst
  ixpk= 1659, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#  101 LEU  HB+         115 VAL  MGX         2.80    (#   1660:25  Unique         2.21, 3.87 A
)
 &rst
  ixpk= 1660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1505,1506,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#   76 VAL  HN           75 VAL  MGY         3.50    (#   1661:25  Unique         2.42, 4.34 A
)
 &rst
  ixpk= 1661, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HN           75 VAL  MGY         3.50    (#   1662:25  Unique         2.19, 3.83 A
)
 &rst
  ixpk= 1662, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HA           75 VAL  MGY         3.50    (#   1663:25  Unique         2.34, 3.60 A
)
 &rst
  ixpk= 1663, nxpk= 25, iat=1101,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HB            0 AMB  25-1:1664   2.80    (#   1664:25  Single Ambig
)
 &rst
  ixpk= 1664, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr2=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#   77 ILE  QD1          75 VAL  MGY         2.80    (#   1665:25  Unique         2.44, 5.63 A
)
 &rst
  ixpk= 1665, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1144,1145,1146,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   25 LEU  HN           24 THR  MG2         3.50    (#   1667:25  Unique         3.79, 4.45 A
)
 &rst
  ixpk= 1667, nxpk= 25, iat= 394,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 386, 387, 388,
 &end
#
#   24 THR  HN           24 THR  MG2         4.50    (#   1668:25  Unique         4.30, 4.41 A
)
 &rst
  ixpk= 1668, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 386, 387, 388,
 &end
#
#    0 AMB  25-2:1670    24 THR  MG2         2.80    (#   1670:25  Single Ambig
)
 &rst
  ixpk= 1670, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 384, 382,
 igr2= 386, 387, 388,
 &end
#
#   55 ILE  QD1          24 THR  MG2         3.50    (#   1671:25  Unique         2.38, 4.23 A
)
 &rst
  ixpk= 1671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 827, 828, 829,
 igr2= 386, 387, 388,
 &end
#
#    5 MET  HG+          76 VAL  MGY         3.50    (#   1672:25  Unique         2.02, 4.57 A
)
 &rst
  ixpk= 1672, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  88,  89,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  HB           76 VAL  MGY         2.80    (#   1674:25  Unique         2.21, 2.62 A
)
 &rst
  ixpk= 1674, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    7 VAL  MGX          76 VAL  MGY         4.50    (#   1675:25  Unique         2.23, 5.92 A
)
 &rst
  ixpk= 1675, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   53 VAL  HN           53 VAL  MGY         3.50    (#   1676:25  Unique         2.16, 3.79 A
)
 &rst
  ixpk= 1676, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1678    53 VAL  MGY         2.80    (#   1678:25  Single Ambig
)
 &rst
  ixpk= 1678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1742,1743, 795,1809,1810,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1679    53 VAL  MGY         5.50    (#   1679:25  Single Ambig
)
 &rst
  ixpk= 1679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 751, 752,1739,1740,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    4 VAL  HN            4 VAL  MGX         3.50    (#   1680:25  Unique         2.08, 3.87 A
)
 &rst
  ixpk= 1680, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1681     0 AMB  25-1:1681   3.50    (#   1681:25  Double Ambig
)
 &rst
  ixpk= 1681, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  81, 504,
 igr2=  71,  72,  73,  75,  76,  77,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    0 AMB  25-2:1682     4 VAL  MGX         4.50    (#   1682:25  Single Ambig
)
 &rst
  ixpk= 1682, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  45, 100,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  HA            0 AMB  25-1:1683   3.50    (#   1683:25  Single Ambig
)
 &rst
  ixpk= 1683, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr2=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#    0 AMB  25-2:1684     0 AMB  25-1:1684   2.80    (#   1684:25  Double Ambig
)
 &rst
  ixpk= 1684, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1398,  69, 463,
 igr2=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#    0 AMB  25-2:1685     0 AMB  25-1:1685   4.50    (#   1685:25  Double Ambig
)
 &rst
  ixpk= 1685, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1=1404,1405,  31,  32,  25,  26,1909,
 igr2=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#    0 AMB  25-2:1687     7 VAL  MGY         4.50    (#   1687:25  Single Ambig
)
 &rst
  ixpk= 1687, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 134,1131,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:1688     7 VAL  MGY         2.80    (#   1688:25  Single Ambig
)
 &rst
  ixpk= 1688, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  88,  89, 122,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  QD1           7 VAL  MGY         3.50    (#   1689:25  Unique         2.23, 4.14 A
)
 &rst
  ixpk= 1689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 963, 964, 965,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   96 PHE  HE           91 VAL  MGY         3.50    (#   1690:25  Unique         2.75, 5.76 A
)
 &rst
  ixpk= 1690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1423,1427,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  HN           91 VAL  MGY         4.50    (#   1691:25  Unique         1.97, 3.80 A
)
 &rst
  ixpk= 1691, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  HA           91 VAL  MGY         3.50    (#   1692:25  Unique         2.25, 3.47 A
)
 &rst
  ixpk= 1692, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   31 ALA  HN           31 ALA  MB          2.80    (#   1695:25  Unique         2.52, 3.22 A
)
 &rst
  ixpk= 1695, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 482, 483, 484,
 &end
#
#    3 LYS  HA           31 ALA  MB          3.50    (#   1696:25  Unique         2.93, 4.06 A
)
 &rst
  ixpk= 1696, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 482, 483, 484,
 &end
#
#   31 ALA  HA           31 ALA  MB          2.80    (#   1697:25  Unique         2.41, 2.67 A
)
 &rst
  ixpk= 1697, nxpk= 25, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 482, 483, 484,
 &end
#
#   84 VAL  HN           84 VAL  MGX         3.50    (#   1698:25  Unique         2.02, 3.91 A
)
 &rst
  ixpk= 1698, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HA           84 VAL  MGX         3.50    (#   1699:25  Unique         2.42, 3.17 A
)
 &rst
  ixpk= 1699, nxpk= 25, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HB           84 VAL  MGX         2.80    (#   1700:25  Unique         2.38, 2.66 A
)
 &rst
  ixpk= 1700, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    7 VAL  HA            7 VAL  MGY         3.50    (#   1701:25  Unique         2.38, 3.20 A
)
 &rst
  ixpk= 1701, nxpk= 25, iat= 120,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HN            7 VAL  MGX         4.50    (#   1702:25  Unique         2.11, 4.04 A
)
 &rst
  ixpk= 1702, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HA            7 VAL  MGX         3.50    (#   1703:25  Unique         2.38, 3.20 A
)
 &rst
  ixpk= 1703, nxpk= 25, iat= 120,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:1705     7 VAL  MGX         4.50    (#   1705:25  Single Ambig
)
 &rst
  ixpk= 1705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=  88,  89, 122,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   76 VAL  MGY           7 VAL  MGX         4.50    (#   1706:25  Unique         2.23, 5.92 A
)
 &rst
  ixpk= 1706, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:1707     7 VAL  MGX         3.50    (#   1707:25  Single Ambig
)
 &rst
  ixpk= 1707, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1255,1256,1257,1259,1260,1261, 556, 557, 558, 560,
       561, 562,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  QD1           7 VAL  MGX         3.50    (#   1709:25  Unique         2.23, 4.14 A
)
 &rst
  ixpk= 1709, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 963, 964, 965,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:1711     4 VAL  MGY         3.50    (#   1711:25  Single Ambig
)
 &rst
  ixpk= 1711, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  81, 504,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    6 PHE  HZ            4 VAL  MGY         3.50    (#   1712:25  Unique         2.47, 4.02 A
)
 &rst
  ixpk= 1712, nxpk= 25, iat= 110,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1713     4 VAL  MGY         3.50    (#   1713:25  Single Ambig
)
 &rst
  ixpk= 1713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  67,  83,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   75 VAL  HB            4 VAL  MGY         5.50    (#   1714:25  Unique         2.44, 6.17 A
)
 &rst
  ixpk= 1714, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1715     4 VAL  MGY         2.80    (#   1715:25  Single Ambig
)
 &rst
  ixpk= 1715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  69,1931,1932,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1716     4 VAL  MGY         2.80    (#   1716:25  Single Ambig
)
 &rst
  ixpk= 1716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:1718    76 VAL  MGX         3.50    (#   1718:25  Single Ambig
)
 &rst
  ixpk= 1718, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1366,1367,1070,1071,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    9 LYS  HE+          84 VAL  MGX         3.50    (#   1719:25  Unique         2.41, 4.92 A
)
 &rst
  ixpk= 1719, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 158, 159,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   80 CYS  HB-          84 VAL  MGX         4.50    (#   1720:25  Unique         2.24, 4.10 A
)
 &rst
  ixpk= 1720, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1184,1185,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   76 VAL  HN           76 VAL  MGX         3.50    (#   1722:25  Unique         2.45, 4.23 A
)
 &rst
  ixpk= 1722, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   73 TYR  HN           76 VAL  MGX         5.50    (#   1723:25  Unique         5.06, 6.90 A
)
 &rst
  ixpk= 1723, nxpk= 25, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   93 GLN  HG+          76 VAL  MGX         4.50    (#   1725:25  Unique         2.39, 4.60 A
)
 &rst
  ixpk= 1725, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1369,1370,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  HB           76 VAL  MGX         2.80    (#   1726:25  Unique         2.21, 2.62 A
)
 &rst
  ixpk= 1726, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    5 MET  HB+          76 VAL  MGX         3.50    (#   1727:25  Unique         2.15, 4.19 A
)
 &rst
  ixpk= 1727, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  85,  86,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#  104 PRO  HA          111 VAL  MGX         3.50    (#   1728:25  Unique         2.89, 5.02 A
)
 &rst
  ixpk= 1728, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HA          111 VAL  MGX         2.80    (#   1729:25  Unique         2.47, 3.16 A
)
 &rst
  ixpk= 1729, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:1730   111 VAL  MGX         2.80    (#   1730:25  Single Ambig
)
 &rst
  ixpk= 1730, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1587,1588,1646,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:1731   111 VAL  MGX         2.80    (#   1731:25  Single Ambig
)
 &rst
  ixpk= 1731, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1587,1588,1584,1585,1631,1632,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#   75 VAL  HN           75 VAL  MGX         3.50    (#   1732:25  Unique         2.19, 3.83 A
)
 &rst
  ixpk= 1732, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    4 VAL  HA           75 VAL  MGX         4.50    (#   1733:25  Unique         1.99, 3.62 A
)
 &rst
  ixpk= 1733, nxpk= 25, iat=  67,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HA           75 VAL  MGX         3.50    (#   1734:25  Unique         2.34, 3.60 A
)
 &rst
  ixpk= 1734, nxpk= 25, iat=1101,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   74 ASP  HB+          75 VAL  MGX         3.50    (#   1735:25  Unique         2.15, 5.46 A
)
 &rst
  ixpk= 1735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1091,1092,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   74 ASP  HB-          75 VAL  MGX         3.50    (#   1736:25  Unique         2.15, 5.46 A
)
 &rst
  ixpk= 1736, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1091,1092,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  HB           75 VAL  MGX         2.80    (#   1737:25  Unique         2.24, 2.62 A
)
 &rst
  ixpk= 1737, nxpk= 25, iat=1103,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HB           75 VAL  MGX         3.50    (#   1738:25  Unique         2.15, 3.71 A
)
 &rst
  ixpk= 1738, nxpk= 25, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  25-2:1739    75 VAL  MGX         2.80    (#   1739:25  Single Ambig
)
 &rst
  ixpk= 1739, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1404,1405,  31,  32,  25,  26,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HG1+         75 VAL  MGX         4.50    (#   1740:25  Unique         2.85, 5.70 A
)
 &rst
  ixpk= 1740, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1404,1405,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   55 ILE  HN           53 VAL  MGX         4.50    (#   1741:25  Unique         2.89, 5.43 A
)
 &rst
  ixpk= 1741, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   21 PHE  HE           53 VAL  MGX         3.50    (#   1742:25  Unique         2.24, 5.21 A
)
 &rst
  ixpk= 1742, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 338, 342,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   53 VAL  HN           53 VAL  MGX         2.80    (#   1743:25  Unique         2.16, 3.79 A
)
 &rst
  ixpk= 1743, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  116 ARG  HD+          53 VAL  MGX         3.50    (#   1745:25  Unique         2.30, 4.71 A
)
 &rst
  ixpk= 1745, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1742,1743,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1746    53 VAL  MGX         2.80    (#   1746:25  Single Ambig
)
 &rst
  ixpk= 1746, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1742,1743, 795,1809,1810,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1747    53 VAL  MGX         4.50    (#   1747:25  Single Ambig
)
 &rst
  ixpk= 1747, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 748, 749,1739,1740,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:1748    53 VAL  MGX         3.50    (#   1748:25  Single Ambig
)
 &rst
  ixpk= 1748, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 755, 756, 757,1800,1801,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   55 ILE  QD1          53 VAL  MGX         3.50    (#   1749:25  Unique         2.24, 4.78 A
)
 &rst
  ixpk= 1749, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 827, 828, 829,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   22 ALA  HN           22 ALA  MB          2.80    (#   1751:25  Unique         2.40, 2.88 A
)
 &rst
  ixpk= 1751, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 352, 353, 354,
 &end
#
#   23 LYS  HN           22 ALA  MB          3.50    (#   1752:25  Unique         2.67, 3.55 A
)
 &rst
  ixpk= 1752, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 352, 353, 354,
 &end
#
#    6 PHE  HE           22 ALA  MB          2.80    (#   1753:25  Unique         2.47, 4.05 A
)
 &rst
  ixpk= 1753, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 108, 112,
 igr2= 352, 353, 354,
 &end
#
#   22 ALA  HA           22 ALA  MB          2.80    (#   1754:25  Unique         2.41, 2.66 A
)
 &rst
  ixpk= 1754, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 352, 353, 354,
 &end
#
#   19 GLU  HA           22 ALA  MB          3.50    (#   1755:25  Unique         2.38, 3.47 A
)
 &rst
  ixpk= 1755, nxpk= 25, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:1756    22 ALA  MB          2.80    (#   1756:25  Single Ambig
)
 &rst
  ixpk= 1756, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 494, 495, 496, 498, 499, 500,1863,1864,1865,1867,
      1868,1869,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:1757    22 ALA  MB          2.80    (#   1757:25  Single Ambig
)
 &rst
  ixpk= 1757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 472, 473, 474,1934,1935,1936,
 igr2= 352, 353, 354,
 &end
#
#   32 VAL  MGY          22 ALA  MB          2.80    (#   1758:25  Unique         2.08, 4.17 A
)
 &rst
  ixpk= 1758, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 494, 495, 496, 498, 499, 500,
 igr2= 352, 353, 354,
 &end
#
#   91 VAL  HN           91 VAL  MGX         2.80    (#   1760:25  Unique         1.97, 3.80 A
)
 &rst
  ixpk= 1760, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  HA           91 VAL  MGX         3.50    (#   1761:25  Unique         2.25, 3.47 A
)
 &rst
  ixpk= 1761, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  HB           91 VAL  MGX         2.80    (#   1762:25  Unique         2.32, 2.63 A
)
 &rst
  ixpk= 1762, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   92 THR  MG2          91 VAL  MGX         2.80    (#   1763:25  Unique         2.19, 5.36 A
)
 &rst
  ixpk= 1763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1354,1355,1356,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   30 ILE  HN           30 ILE  QG2         4.50    (#   1766:25  Unique         2.70, 3.98 A
)
 &rst
  ixpk= 1766, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 465, 466, 467,
 &end
#
#   30 ILE  HA           30 ILE  QG2         3.50    (#   1767:25  Unique         2.31, 3.12 A
)
 &rst
  ixpk= 1767, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:1768    30 ILE  QG2         2.80    (#   1768:25  Single Ambig
)
 &rst
  ixpk= 1768, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 463,1931,1932,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:1769    30 ILE  QG2         3.50    (#   1769:25  Single Ambig
)
 &rst
  ixpk= 1769, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 469, 470,1982,1983,
 igr2= 465, 466, 467,
 &end
#
#   30 ILE  HG1+         30 ILE  QG2         2.80    (#   1770:25  Unique         2.21, 3.48 A
)
 &rst
  ixpk= 1770, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 469, 470,
 igr2= 465, 466, 467,
 &end
#
#   31 ALA  HN           30 ILE  QG2         4.50    (#   1771:25  Unique         3.83, 4.51 A
)
 &rst
  ixpk= 1771, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 465, 466, 467,
 &end
#
#    2 LYS  HB-          30 ILE  QG2         2.80    (#   1772:25  Unique         2.07, 3.37 A
)
 &rst
  ixpk= 1772, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  25,  26,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:1776    46 ALA  MB          3.50    (#   1776:25  Single Ambig
)
 &rst
  ixpk= 1776, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 698,1668,1672,
 igr2= 692, 693, 694,
 &end
#
#   46 ALA  HN           46 ALA  MB          3.50    (#   1777:25  Unique         2.22, 2.80 A
)
 &rst
  ixpk= 1777, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 692, 693, 694,
 &end
#
#   46 ALA  HA           46 ALA  MB          2.80    (#   1779:25  Unique         2.37, 2.68 A
)
 &rst
  ixpk= 1779, nxpk= 25, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 692, 693, 694,
 &end
#
#    0 AMB  25-2:1780    46 ALA  MB          3.50    (#   1780:25  Single Ambig
)
 &rst
  ixpk= 1780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 286, 287, 647, 648,
 igr2= 692, 693, 694,
 &end
#
#    0 AMB  25-2:1781    46 ALA  MB          3.50    (#   1781:25  Single Ambig
)
 &rst
  ixpk= 1781, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 858, 859, 860, 708, 709,
 igr2= 692, 693, 694,
 &end
#
#   27 ALA  HA           27 ALA  MB          2.80    (#   1782:25  Unique         2.44, 2.68 A
)
 &rst
  ixpk= 1782, nxpk= 25, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 424, 425, 426,
 &end
#
#  128 ALA  HN          128 ALA  MB          2.80    (#   1783:25  Unique         2.47, 2.93 A
)
 &rst
  ixpk= 1783, nxpk= 25, iat=1940,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#  125 ASN  HA          128 ALA  MB          2.80    (#   1784:25  Unique         2.76, 3.48 A
)
 &rst
  ixpk= 1784, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#   49 MET  HN           48 ALA  MB          3.50    (#   1786:25  Unique         2.58, 3.46 A
)
 &rst
  ixpk= 1786, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 721, 722, 723,
 &end
#
#   48 ALA  HN           48 ALA  MB          2.80    (#   1787:25  Unique         2.45, 2.87 A
)
 &rst
  ixpk= 1787, nxpk= 25, iat= 717,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 721, 722, 723,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#   1788:25  Unique         2.45, 2.66 A
)
 &rst
  ixpk= 1788, nxpk= 25, iat= 719,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 721, 722, 723,
 &end
#
#   45 THR  HA           48 ALA  MB          3.50    (#   1789:25  Unique         2.59, 3.53 A
)
 &rst
  ixpk= 1789, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 721, 722, 723,
 &end
#
#   57 ILE  HA           57 ILE  QG2         3.50    (#   1790:25  Unique         2.25, 2.80 A
)
 &rst
  ixpk= 1790, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 851, 852, 853,
 &end
#
#    0 AMB  25-2:1791    57 ILE  QG2         3.50    (#   1791:25  Single Ambig
)
 &rst
  ixpk= 1791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 323, 324, 866,
 igr2= 851, 852, 853,
 &end
#
#   20 GLY  HA-          57 ILE  QG2         3.50    (#   1792:25  Unique         3.66, 5.22 A
)
 &rst
  ixpk= 1792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 323, 324,
 igr2= 851, 852, 853,
 &end
#
#    0 AMB  25-2:1793    57 ILE  QG2         2.80    (#   1793:25  Single Ambig
)
 &rst
  ixpk= 1793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 889, 890, 849,
 igr2= 851, 852, 853,
 &end
#
#   42 VAL  HB           57 ILE  QG2         5.50    (#   1794:25  Unique         3.90, 4.67 A
)
 &rst
  ixpk= 1794, nxpk= 25, iat= 631,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  HG1+         57 ILE  QG2         3.50    (#   1795:25  Unique         2.45, 3.53 A
)
 &rst
  ixpk= 1795, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 855, 856,
 igr2= 851, 852, 853,
 &end
#
#   70 ALA  HA           70 ALA  MB          2.80    (#   1797:25  Unique         2.38, 2.64 A
)
 &rst
  ixpk= 1797, nxpk= 25, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1036,1037,1038,
 &end
#
#   70 ALA  HN           70 ALA  MB          3.50    (#   1798:25  Unique         2.29, 2.91 A
)
 &rst
  ixpk= 1798, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1799    70 ALA  MB          3.50    (#   1799:25  Single Ambig
)
 &rst
  ixpk= 1799, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1042,1321,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HA           70 ALA  MB          3.50    (#   1800:25  Unique         2.28, 2.69 A
)
 &rst
  ixpk= 1800, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1036,1037,1038,
 &end
#
#   89 GLU  HB+          70 ALA  MB          4.50    (#   1801:25  Unique         2.30, 4.71 A
)
 &rst
  ixpk= 1801, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1297,1298,
 igr2=1036,1037,1038,
 &end
#
#   89 GLU  HB-          70 ALA  MB          3.50    (#   1802:25  Unique         2.30, 4.71 A
)
 &rst
  ixpk= 1802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1297,1298,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:1803    46 ALA  MB          3.50    (#   1803:25  Single Ambig
)
 &rst
  ixpk= 1803, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1= 633, 634, 635, 637, 638, 639, 711, 712, 713,
 igr2= 692, 693, 694,
 &end
#
#   27 ALA  HN           27 ALA  MB          2.80    (#   1804:25  Unique         2.57, 2.95 A
)
 &rst
  ixpk= 1804, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 424, 425, 426,
 &end
#
#    0 AMB  25-2:1805     5 MET  ME          3.50    (#   1805:25  Single Ambig
)
 &rst
  ixpk= 1805, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1006,1014,1321,
 igr2=  92,  93,  94,
 &end
#
#   73 TYR  HD            5 MET  ME          3.50    (#   1806:25  Unique         3.41, 4.85 A
)
 &rst
  ixpk= 1806, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1074,1083,
 igr2=  92,  93,  94,
 &end
#
#   95 ILE  HA           95 ILE  QG2         3.50    (#   1808:25  Unique         2.59, 3.21 A
)
 &rst
  ixpk= 1808, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1400,1401,1402,
 &end
#
#   97 GLU  HG-          95 ILE  QG2         3.50    (#   1809:25  Unique         3.44, 5.22 A
)
 &rst
  ixpk= 1809, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1440,1441,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  25-2:1810    95 ILE  QG2         3.50    (#   1810:25  Single Ambig
)
 &rst
  ixpk= 1810, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1437,1438,1440,1441,
 igr2=1400,1401,1402,
 &end
#
#   73 TYR  HE            5 MET  ME          3.50    (#   1811:25  Unique         2.86, 4.23 A
)
 &rst
  ixpk= 1811, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1076,1081,
 igr2=  92,  93,  94,
 &end
#
#   68 PHE  HB+           5 MET  ME          4.50    (#   1814:25  Unique         2.20, 3.53 A
)
 &rst
  ixpk= 1814, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1002,1003,
 igr2=  92,  93,  94,
 &end
#
#    5 MET  HG+           5 MET  ME          2.80    (#   1816:25  Unique         2.41, 3.59 A
)
 &rst
  ixpk= 1816, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  88,  89,
 igr2=  92,  93,  94,
 &end
#
#    0 AMB  25-2:1817     5 MET  ME          2.80    (#   1817:25  Single Ambig
)
 &rst
  ixpk= 1817, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 510, 511, 512, 960, 961,
 igr2=  92,  93,  94,
 &end
#
#   33 THR  HB            5 MET  ME          3.50    (#   1818:25  Unique         2.57, 3.64 A
)
 &rst
  ixpk= 1818, nxpk= 25, iat= 508,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  92,  93,  94,
 &end
#
#   48 ALA  HN           47 ILE  QG2         3.50    (#   1819:25  Unique         3.62, 4.39 A
)
 &rst
  ixpk= 1819, nxpk= 25, iat= 717,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 704, 705, 706,
 &end
#
#  131 SER  HB+         127 ILE  QG2         3.50    (#   1821:25  Unique         3.86, 5.03 A
)
 &rst
  ixpk= 1821, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1995,1996,
 igr2=1927,1928,1929,
 &end
#
#   47 ILE  HA           47 ILE  QG2         3.50    (#   1823:25  Unique         2.35, 3.06 A
)
 &rst
  ixpk= 1823, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 704, 705, 706,
 &end
#
#  127 ILE  HN            0 AMB  25-1:1826   4.50    (#   1826:25  Single Ambig
)
 &rst
  ixpk= 1826, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1927,1928,1929,1978,1979,1980,
 &end
#
#    0 AMB  25-2:1827     0 AMB  25-1:1827   2.80    (#   1827:25  Double Ambig
)
 &rst
  ixpk= 1827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1972,1940,
 igr2=1978,1979,1980,1927,1928,1929,
 &end
#
#  130 ILE  HA          130 ILE  QG2         2.80    (#   1829:25  Unique         2.24, 3.00 A
)
 &rst
  ixpk= 1829, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1978,1979,1980,
 &end
#
#  127 ILE  HA          127 ILE  QG2         2.80    (#   1831:25  Unique         2.57, 3.22 A
)
 &rst
  ixpk= 1831, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1927,1928,1929,
 &end
#
#   29 LYS  HE+         127 ILE  QG2         3.50    (#   1832:25  Unique         2.19, 4.18 A
)
 &rst
  ixpk= 1832, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 450, 451,
 igr2=1927,1928,1929,
 &end
#
#  130 ILE  HB          130 ILE  QG2         2.80    (#   1833:25  Unique         2.40, 2.70 A
)
 &rst
  ixpk= 1833, nxpk= 25, iat=1976,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1978,1979,1980,
 &end
#
#    0 AMB  25-2:1834     0 AMB  25-1:1834   2.80    (#   1834:25  Double Ambig
)
 &rst
  ixpk= 1834, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1960,1961, 447, 448,1398,
 igr2=1978,1979,1980,1927,1928,1929,
 &end
#
#    0 AMB  25-2:1835   130 ILE  QG2         2.80    (#   1835:25  Single Ambig
)
 &rst
  ixpk= 1835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  31,  32,  25,  26,1404,1405,
 igr2=1978,1979,1980,
 &end
#
#    0 AMB  25-2:1836     0 AMB  25-1:1836   2.80    (#   1836:25  Double Ambig
)
 &rst
  ixpk= 1836, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1982,1983,1982,1983,
 igr2=1978,1979,1980,1927,1928,1929,
 &end
#
#  127 ILE  HG1+        127 ILE  QG2         2.80    (#   1837:25  Unique         2.54, 3.55 A
)
 &rst
  ixpk= 1837, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1931,1932,
 igr2=1927,1928,1929,
 &end
#
#   96 PHE  HN           95 ILE  QG2         3.50    (#   1838:25  Unique         2.80, 3.36 A
)
 &rst
  ixpk= 1838, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  25-2:1839    95 ILE  QG2         2.80    (#   1839:25  Single Ambig
)
 &rst
  ixpk= 1839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1398,1960,1961,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  25-2:1841    17 MET  ME          4.50    (#   1841:25  Single Ambig
)
 &rst
  ixpk= 1841, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1662,1663,1742,1743,
 igr2= 290, 291, 292,
 &end
#
#  116 ARG  HN           17 MET  ME          4.50    (#   1842:25  Unique         3.05, 4.28 A
)
 &rst
  ixpk= 1842, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 290, 291, 292,
 &end
#
#  112 PHE  HD           17 MET  ME          3.50    (#   1843:25  Unique         2.83, 5.75 A
)
 &rst
  ixpk= 1843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1666,1674,
 igr2= 290, 291, 292,
 &end
#
#  116 ARG  HA           17 MET  ME          3.50    (#   1844:25  Unique         2.53, 3.68 A
)
 &rst
  ixpk= 1844, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#   46 ALA  HA           17 MET  ME          3.50    (#   1845:25  Unique         3.73, 4.50 A
)
 &rst
  ixpk= 1845, nxpk= 25, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#   14 ARG  HA           17 MET  ME          3.50    (#   1846:25  Unique         2.95, 4.24 A
)
 &rst
  ixpk= 1846, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 290, 291, 292,
 &end
#
#   17 MET  HG+          17 MET  ME          3.50    (#   1847:25  Unique         2.53, 3.63 A
)
 &rst
  ixpk= 1847, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 286, 287,
 igr2= 290, 291, 292,
 &end
#
#    0 AMB  25-2:1848    17 MET  ME          3.50    (#   1848:25  Single Ambig
)
 &rst
  ixpk= 1848, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1551,1552,1786,1787,1788,1790,1791,1792,
 igr2= 290, 291, 292,
 &end
#
#    0 AMB  25-2:1849    17 MET  ME          2.80    (#   1849:25  Single Ambig
)
 &rst
  ixpk= 1849, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,1554,1555,
 igr2= 290, 291, 292,
 &end
#
#   27 ALA  HA            1 MET  ME          5.50    (#   1850:25  Unique         4.39, 5.60 A
)
 &rst
  ixpk= 1850, nxpk= 25, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   56 ASP  HN           55 ILE  QG2         3.50    (#   1851:25  Unique         1.76, 2.70 A
)
 &rst
  ixpk= 1851, nxpk= 25, iat= 833,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 820, 821, 822,
 &end
#
#   55 ILE  HA           55 ILE  QG2         3.50    (#   1853:25  Unique         2.42, 3.15 A
)
 &rst
  ixpk= 1853, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 820, 821, 822,
 &end
#
#   20 GLY  HA-          55 ILE  QG2         4.50    (#   1854:25  Unique         3.02, 3.99 A
)
 &rst
  ixpk= 1854, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 323, 324,
 igr2= 820, 821, 822,
 &end
#
#   50 MET  HB-          55 ILE  QG2         3.50    (#   1855:25  Unique         2.65, 4.67 A
)
 &rst
  ixpk= 1855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 748, 749,
 igr2= 820, 821, 822,
 &end
#
#  123 VAL  MGY          18 ALA  MB          2.80    (#   1856:25  Unique         2.23, 4.77 A
)
 &rst
  ixpk= 1856, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 300, 301, 302,
 &end
#
#    0 AMB  25-2:1857     0 AMB  25-1:1857   2.80    (#   1857:25  Double Ambig
)
 &rst
  ixpk= 1857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1786,1787,1788,1790,1791,1792, 818,
 igr2= 300, 301, 302, 820, 821, 822,
 &end
#
#   50 MET  ME           55 ILE  QG2         2.80    (#   1858:25  Unique         2.28, 3.69 A
)
 &rst
  ixpk= 1858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 755, 756, 757,
 igr2= 820, 821, 822,
 &end
#
#   18 ALA  HN           18 ALA  MB          2.80    (#   1859:25  Unique         2.28, 2.90 A
)
 &rst
  ixpk= 1859, nxpk= 25, iat= 296,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 300, 301, 302,
 &end
#
#   19 GLU  HN           18 ALA  MB          3.50    (#   1860:25  Unique         2.71, 3.59 A
)
 &rst
  ixpk= 1860, nxpk= 25, iat= 306,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 300, 301, 302,
 &end
#
#    0 AMB  25-2:1861    18 ALA  MB          3.50    (#   1861:25  Single Ambig
)
 &rst
  ixpk= 1861, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114, 110,
 igr2= 300, 301, 302,
 &end
#
#    0 AMB  25-2:1862     0 AMB  25-1:1862   2.80    (#   1862:25  Double Ambig
)
 &rst
  ixpk= 1862, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 253, 323, 324,
 igr2= 300, 301, 302, 820, 821, 822,
 &end
#
#   18 ALA  HA           18 ALA  MB          2.80    (#   1863:25  Unique         2.29, 2.64 A
)
 &rst
  ixpk= 1863, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 300, 301, 302,
 &end
#
#   65 ILE  HN           65 ILE  QG2         2.80    (#   1864:25  Unique         2.20, 3.15 A
)
 &rst
  ixpk= 1864, nxpk= 25, iat= 950,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 956, 957, 958,
 &end
#
#   37 LEU  HA           65 ILE  QG2         3.50    (#   1865:25  Unique         2.14, 3.09 A
)
 &rst
  ixpk= 1865, nxpk= 25, iat= 549,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 956, 957, 958,
 &end
#
#   65 ILE  HB           65 ILE  QG2         2.80    (#   1866:25  Unique         2.41, 2.67 A
)
 &rst
  ixpk= 1866, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 956, 957, 958,
 &end
#
#   65 ILE  QD1          65 ILE  QG2         2.80    (#   1867:25  Unique         2.25, 3.68 A
)
 &rst
  ixpk= 1867, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 963, 964, 965,
 igr2= 956, 957, 958,
 &end
#
#   21 PHE  HN           50 MET  ME          3.50    (#   1869:25  Unique         2.36, 3.36 A
)
 &rst
  ixpk= 1869, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:1870    50 MET  ME          4.50    (#   1870:25  Single Ambig
)
 &rst
  ixpk= 1870, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 321, 814,
 igr2= 755, 756, 757,
 &end
#
#   21 PHE  HD           50 MET  ME          4.50    (#   1871:25  Unique         2.61, 4.19 A
)
 &rst
  ixpk= 1871, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 336, 344,
 igr2= 755, 756, 757,
 &end
#
#   17 MET  HA           50 MET  ME          3.50    (#   1873:25  Unique         3.37, 4.27 A
)
 &rst
  ixpk= 1873, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 755, 756, 757,
 &end
#
#   20 GLY  HA-          50 MET  ME          4.50    (#   1874:25  Unique         2.14, 3.73 A
)
 &rst
  ixpk= 1874, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 323, 324,
 igr2= 755, 756, 757,
 &end
#
#   50 MET  HG+          50 MET  ME          3.50    (#   1876:25  Unique         2.41, 3.67 A
)
 &rst
  ixpk= 1876, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 751, 752,
 igr2= 755, 756, 757,
 &end
#
#   50 MET  HB-          50 MET  ME          3.50    (#   1877:25  Unique         2.12, 3.66 A
)
 &rst
  ixpk= 1877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 748, 749,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:1878    50 MET  ME          4.50    (#   1878:25  Single Ambig
)
 &rst
  ixpk= 1878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 824, 825,1806,1807,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:1879    50 MET  ME          2.80    (#   1879:25  Single Ambig
)
 &rst
  ixpk= 1879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 818, 855, 856,
 igr2= 755, 756, 757,
 &end
#
#   55 ILE  QD1          50 MET  ME          3.50    (#   1880:25  Unique         2.47, 3.90 A
)
 &rst
  ixpk= 1880, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 827, 828, 829,
 igr2= 755, 756, 757,
 &end
#
#   55 ILE  QG2          50 MET  ME          3.50    (#   1881:25  Unique         2.28, 3.69 A
)
 &rst
  ixpk= 1881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 820, 821, 822,
 igr2= 755, 756, 757,
 &end
#
#  130 ILE  HB          130 ILE  QD1         3.50    (#   1885:25  Unique         2.54, 3.18 A
)
 &rst
  ixpk= 1885, nxpk= 25, iat=1976,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:1886   130 ILE  QD1         3.50    (#   1886:25  Single Ambig
)
 &rst
  ixpk= 1886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1931,1932,  69, 463,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:1887   130 ILE  QD1         3.50    (#   1887:25  Single Ambig
)
 &rst
  ixpk= 1887, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  25,  26,1982,1983,
 igr2=1985,1986,1987,
 &end
#
#  130 ILE  HG1+        130 ILE  QD1         2.80    (#   1888:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 1888, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1982,1983,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:1889   130 ILE  QD1         2.80    (#   1889:25  Single Ambig
)
 &rst
  ixpk= 1889, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:1890   130 ILE  QD1         2.80    (#   1890:25  Single Ambig
)
 &rst
  ixpk= 1890, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1978,1979,1980, 465, 466, 467,
 igr2=1985,1986,1987,
 &end
#
#   21 PHE  HD           55 ILE  QD1         3.50    (#   1891:25  Unique         2.30, 4.73 A
)
 &rst
  ixpk= 1891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 336, 344,
 igr2= 827, 828, 829,
 &end
#
#   21 PHE  HA           55 ILE  QD1         3.50    (#   1892:25  Unique         2.53, 3.41 A
)
 &rst
  ixpk= 1892, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 827, 828, 829,
 &end
#
#   24 THR  HB           55 ILE  QD1         4.50    (#   1893:25  Unique         2.83, 3.69 A
)
 &rst
  ixpk= 1893, nxpk= 25, iat= 384,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 827, 828, 829,
 &end
#
#   55 ILE  HG1-         55 ILE  QD1         2.80    (#   1894:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 1894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 824, 825,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:1895    55 ILE  QD1         3.50    (#   1895:25  Single Ambig
)
 &rst
  ixpk= 1895, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1= 797, 798, 799, 801, 802, 803, 818,
 igr2= 827, 828, 829,
 &end
#
#   55 ILE  HG1+         55 ILE  QD1         2.80    (#   1896:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 1896, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 824, 825,
 igr2= 827, 828, 829,
 &end
#
#   55 ILE  QG2          55 ILE  QD1         2.80    (#   1897:25  Unique         2.19, 3.88 A
)
 &rst
  ixpk= 1897, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 820, 821, 822,
 igr2= 827, 828, 829,
 &end
#
#   57 ILE  HG1+         57 ILE  QD1         2.80    (#   1898:25  Unique         2.24, 2.64 A
)
 &rst
  ixpk= 1898, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 855, 856,
 igr2= 858, 859, 860,
 &end
#
#   47 ILE  HA           57 ILE  QD1         4.50    (#   1899:25  Unique         3.08, 3.99 A
)
 &rst
  ixpk= 1899, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  25-2:1900    57 ILE  QD1         2.80    (#   1900:25  Single Ambig
)
 &rst
  ixpk= 1900, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 751, 752, 849,
 igr2= 858, 859, 860,
 &end
#
#   16 GLN  HB+          57 ILE  QD1         3.50    (#   1901:25  Unique         2.81, 4.11 A
)
 &rst
  ixpk= 1901, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 266, 267,
 igr2= 858, 859, 860,
 &end
#
#   46 ALA  MB           57 ILE  QD1         3.50    (#   1902:25  Unique         2.19, 3.33 A
)
 &rst
  ixpk= 1902, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 692, 693, 694,
 igr2= 858, 859, 860,
 &end
#
#   57 ILE  HG1-         57 ILE  QD1         3.50    (#   1903:25  Unique         2.24, 2.64 A
)
 &rst
  ixpk= 1903, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 855, 856,
 igr2= 858, 859, 860,
 &end
#
#   42 VAL  MGY          57 ILE  QD1         2.80    (#   1904:25  Unique         2.29, 5.44 A
)
 &rst
  ixpk= 1904, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 858, 859, 860,
 &end
#
#  127 ILE  HA            0 AMB  25-1:1906   3.50    (#   1906:25  Single Ambig
)
 &rst
  ixpk= 1906, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 472, 473, 474,1934,1935,1936,
 &end
#
#    0 AMB  25-2:1907     0 AMB  25-1:1907   2.80    (#   1907:25  Double Ambig
)
 &rst
  ixpk= 1907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 398, 399, 352, 353, 354,
 igr2=1934,1935,1936, 472, 473, 474,
 &end
#
#    0 AMB  25-2:1908     0 AMB  25-1:1908   2.80    (#   1908:25  Double Ambig
)
 &rst
  ixpk= 1908, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1931,1932, 469, 470,1931,1932,
 igr2= 472, 473, 474,1934,1935,1936,
 &end
#
#   26 GLY  HN            0 AMB  25-1:1909   4.50    (#   1909:25  Single Ambig
)
 &rst
  ixpk= 1909, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1934,1935,1936, 472, 473, 474,
 &end
#
#    0 AMB  25-2:1910     0 AMB  25-1:1910   3.50    (#   1910:25  Double Ambig
)
 &rst
  ixpk= 1910, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 415, 416, 415, 416,
 igr2=1934,1935,1936, 472, 473, 474,
 &end
#
#   22 ALA  HA          127 ILE  QD1         3.50    (#   1911:25  Unique         2.30, 3.23 A
)
 &rst
  ixpk= 1911, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1934,1935,1936,
 &end
#
#   26 GLY  HA-           0 AMB  25-1:1912   2.80    (#   1912:25  Single Ambig
)
 &rst
  ixpk= 1912, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 415, 416,
 igr2=1934,1935,1936, 472, 473, 474,
 &end
#
#    6 PHE  HE           77 ILE  QG2         3.50    (#   1913:25  Unique         2.69, 6.01 A
)
 &rst
  ixpk= 1913, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 108, 112,
 igr2=1137,1138,1139,
 &end
#
#    6 PHE  HD           77 ILE  QG2         3.50    (#   1914:25  Unique         2.47, 5.30 A
)
 &rst
  ixpk= 1914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 106, 114,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HA           77 ILE  QG2         3.50    (#   1915:25  Unique         2.45, 3.27 A
)
 &rst
  ixpk= 1915, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HB           77 ILE  QG2         3.50    (#   1916:25  Unique         2.35, 2.62 A
)
 &rst
  ixpk= 1916, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HG1+         77 ILE  QG2         3.50    (#   1917:25  Unique         2.29, 3.45 A
)
 &rst
  ixpk= 1917, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1141,1142,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  QD1          77 ILE  QG2         3.50    (#   1918:25  Unique         2.29, 3.89 A
)
 &rst
  ixpk= 1918, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1144,1145,1146,
 igr2=1137,1138,1139,
 &end
#
#    0 AMB  25-2:1921     0 AMB  25-1:1921   2.80    (#   1921:25  Double Ambig
)
 &rst
  ixpk= 1921, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1931,1932, 463,
 igr2= 472, 473, 474,1934,1935,1936,
 &end
#
#    0 AMB  25-2:1922     0 AMB  25-1:1922   2.80    (#   1922:25  Double Ambig
)
 &rst
  ixpk= 1922, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1863,1864,1865,1867,1868,1869, 469, 470,
 igr2=1934,1935,1936, 472, 473, 474,
 &end
#
#  127 ILE  HB          127 ILE  QD1         2.80    (#   1923:25  Unique         2.56, 3.24 A
)
 &rst
  ixpk= 1923, nxpk= 25, iat=1925,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1934,1935,1936,
 &end
#
#   44 PRO  HA           47 ILE  QD1         2.80    (#   1924:25  Unique         2.08, 2.64 A
)
 &rst
  ixpk= 1924, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 711, 712, 713,
 &end
#
#   58 SER  HA           47 ILE  QD1         3.50    (#   1925:25  Unique         3.06, 4.21 A
)
 &rst
  ixpk= 1925, nxpk= 25, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 711, 712, 713,
 &end
#
#   47 ILE  HB           47 ILE  QD1         2.80    (#   1926:25  Unique         2.34, 2.97 A
)
 &rst
  ixpk= 1926, nxpk= 25, iat= 702,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 711, 712, 713,
 &end
#
#   47 ILE  HG1-         47 ILE  QD1         3.50    (#   1927:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 1927, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 708, 709,
 igr2= 711, 712, 713,
 &end
#
#   45 THR  HA           47 ILE  QD1         4.50    (#   1928:25  Unique         4.86, 5.84 A
)
 &rst
  ixpk= 1928, nxpk= 25, iat= 676,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 711, 712, 713,
 &end
#
#   65 ILE  HB           65 ILE  QD1         3.50    (#   1929:25  Unique         2.27, 3.05 A
)
 &rst
  ixpk= 1929, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 963, 964, 965,
 &end
#
#   65 ILE  QG2          65 ILE  QD1         2.80    (#   1930:25  Unique         2.25, 3.68 A
)
 &rst
  ixpk= 1930, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 956, 957, 958,
 igr2= 963, 964, 965,
 &end
#
#   86 LEU  MDY          65 ILE  QD1         2.80    (#   1931:25  Unique         2.54, 4.73 A
)
 &rst
  ixpk= 1931, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2= 963, 964, 965,
 &end
#
#    7 VAL  MGY          65 ILE  QD1         3.50    (#   1932:25  Unique         2.23, 4.14 A
)
 &rst
  ixpk= 1932, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:1934    95 ILE  QD1         3.50    (#   1934:25  Single Ambig
)
 &rst
  ixpk= 1934, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1960,1961,1398,
 igr2=1407,1408,1409,
 &end
#
#   95 ILE  HG1-         95 ILE  QD1         2.80    (#   1935:25  Unique         2.36, 2.63 A
)
 &rst
  ixpk= 1935, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1404,1405,
 igr2=1407,1408,1409,
 &end
#
#   95 ILE  HG1+         95 ILE  QD1         2.80    (#   1936:25  Unique         2.36, 2.63 A
)
 &rst
  ixpk= 1936, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1404,1405,
 igr2=1407,1408,1409,
 &end
#
#   97 GLU  HN           77 ILE  QD1         3.50    (#   1937:25  Unique         2.73, 3.72 A
)
 &rst
  ixpk= 1937, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HA           77 ILE  QD1         3.50    (#   1938:25  Unique         2.12, 2.90 A
)
 &rst
  ixpk= 1938, nxpk= 25, iat=1133,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HB+          77 ILE  QD1         3.50    (#   1939:25  Unique         2.13, 3.71 A
)
 &rst
  ixpk= 1939, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HB-          77 ILE  QD1         3.50    (#   1940:25  Unique         2.13, 3.71 A
)
 &rst
  ixpk= 1940, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  25-2:1941    77 ILE  QD1         2.80    (#   1941:25  Single Ambig
)
 &rst
  ixpk= 1941, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  25-2:1942    77 ILE  QD1         2.80    (#   1942:25  Single Ambig
)
 &rst
  ixpk= 1942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1141,1142,1105,1106,1107,1109,1110,1111,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  QG2          77 ILE  QD1         3.50    (#   1943:25  Unique         2.29, 3.89 A
)
 &rst
  ixpk= 1943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1137,1138,1139,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  25-2:1944    77 ILE  QD1         3.50    (#   1944:25  Single Ambig
)
 &rst
  ixpk= 1944, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
 igr2=1144,1145,1146,
 &end
#
#   78 SER  HN           77 ILE  HA          2.80    (#   1945:25  Unique         2.12, 2.18 A
)
 &rst
  ixpk= 1945, nxpk= 25, iat=1150,1133, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  25-2:1946     4 VAL  HB          4.50    (#   1946:25  Single Ambig
)
 &rst
  ixpk= 1946, nxpk= 25, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  81, 504, 478,
 &end
#
#   74 ASP  HN            3 LYS  HB-         4.50    (#   1947:25  Unique         2.15, 2.76 A
)
 &rst
  ixpk= 1947, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  47,  48,
 &end
#
#   74 ASP  HN            3 LYS  HB+         4.50    (#   1948:25  Unique         2.15, 2.76 A
)
 &rst
  ixpk= 1948, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  47,  48,
 &end
#
#    2 LYS  HN            0 AMB  25-1:1949   3.50    (#   1949:25  Single Ambig
)
 &rst
  ixpk= 1949, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=   8,   9,  47,  48,
 &end
#
#   39 SER  HN           38 GLU  HB-         3.50    (#   1950:25  Unique         2.63, 3.63 A
)
 &rst
  ixpk= 1950, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 570, 571,
 &end
#
#    0 AMB  25-2:1951     0 AMB  25-1:1951   4.50    (#   1951:25  Double Ambig
)
 &rst
  ixpk= 1951, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 461,  45,
 igr2=   8,   9,   8,   9,
 &end
#
#    0 AMB  25-2:1954     0 AMB  25-1:1954   3.50    (#   1954:25  Double Ambig
)
 &rst
  ixpk= 1954, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  45, 461,
 igr2=  47,  48,  25,  26,
 &end
#
#   43 HIS  HA           44 PRO  HD+         2.80    (#   1955:25  Unique         2.24, 2.56 A
)
 &rst
  ixpk= 1955, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 661, 662,
 &end
#
#    1 MET  HB-           1 MET  HG-         2.80    (#   1956:25  Unique         2.31, 2.75 A
)
 &rst
  ixpk= 1956, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=   8,   9,
 igr2=  11,  12,
 &end
#
#   29 LYS  HA            1 MET  HG+         5.50    (#   1957:25  Unique         3.86, 5.02 A
)
 &rst
  ixpk= 1957, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  11,  12,
 &end
#
#   29 LYS  HA            1 MET  HG-         5.50    (#   1958:25  Unique         3.86, 5.02 A
)
 &rst
  ixpk= 1958, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  11,  12,
 &end
#
#   30 ILE  HA            1 MET  HG+         4.50    (#   1961:25  Unique         2.06, 2.54 A
)
 &rst
  ixpk= 1961, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   30 ILE  HA            1 MET  HG-         3.50    (#   1962:25  Unique         2.06, 2.54 A
)
 &rst
  ixpk= 1962, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  11,  12,
 &end
#
#    2 LYS  HN            1 MET  HG+         4.50    (#   1963:25  Unique         2.46, 2.76 A
)
 &rst
  ixpk= 1963, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#    2 LYS  HN            1 MET  HG-         4.50    (#   1964:25  Unique         2.46, 2.76 A
)
 &rst
  ixpk= 1964, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   61 THR  MG2          60 GLN  HA          3.50    (#   1965:25  Unique         3.36, 4.70 A
)
 &rst
  ixpk= 1965, nxpk= 25, iat=  -1, 884, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 905, 906, 907,
 &end
#
#   74 ASP  HB-           2 LYS  HB-         4.50    (#   1967:25  Unique         2.52, 4.46 A
)
 &rst
  ixpk= 1967, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1091,1092,
 igr2=  25,  26,
 &end
#
#    2 LYS  HN            2 LYS  HB-         3.50    (#   1968:25  Unique         2.29, 3.04 A
)
 &rst
  ixpk= 1968, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  25,  26,
 &end
#
#    3 LYS  HN            2 LYS  HB-         4.50    (#   1969:25  Unique         2.73, 3.81 A
)
 &rst
  ixpk= 1969, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  25,  26,
 &end
#
#   99 TRP  HE1          97 GLU  HB-         3.50    (#   1970:25  Unique         2.37, 2.81 A
)
 &rst
  ixpk= 1970, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#    2 LYS  HA            2 LYS  HD-         3.50    (#   1971:25  Unique         2.08, 2.76 A
)
 &rst
  ixpk= 1971, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  31,  32,
 &end
#
#    0 AMB  25-2:1974     0 AMB  25-1:1974   4.50    (#   1974:25  Double Ambig
)
 &rst
  ixpk= 1974, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  45, 461,
 igr2=  53,  54,  31,  32,
 &end
#
#    2 LYS  HN            2 LYS  HD+         5.50    (#   1975:25  Unique         3.96, 4.69 A
)
 &rst
  ixpk= 1975, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  31,  32,
 &end
#
#    2 LYS  HN            2 LYS  HD-         5.50    (#   1976:25  Unique         3.96, 4.69 A
)
 &rst
  ixpk= 1976, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  31,  32,
 &end
#
#    0 AMB  25-2:1977     2 LYS  HD-         3.50    (#   1977:25  Single Ambig
)
 &rst
  ixpk= 1977, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1978,1979,1980,1407,1408,1409,
 igr2=  31,  32,
 &end
#
#    0 AMB  25-2:1978     2 LYS  HD-         4.50    (#   1978:25  Single Ambig
)
 &rst
  ixpk= 1978, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1105,1106,1107,1109,1110,1111,1985,1986,1987,
 igr2=  31,  32,
 &end
#
#  130 ILE  QD1           2 LYS  HD+         4.50    (#   1979:25  Unique         3.49, 5.56 A
)
 &rst
  ixpk= 1979, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1985,1986,1987,
 igr2=  31,  32,
 &end
#
#    6 PHE  HN            6 PHE  HA          4.50    (#   1980:25  Unique         3.00, 3.02 A
)
 &rst
  ixpk= 1980, nxpk= 25, iat=  98, 100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:1981     3 LYS  HA          4.50    (#   1981:25  Single Ambig
)
 &rst
  ixpk= 1981, nxpk= 25, iat=  -1,  45, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  71,  72,  73,  75,  76,  77,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    3 LYS  HN            3 LYS  HG-         4.50    (#   1982:25  Unique         2.99, 3.92 A
)
 &rst
  ixpk= 1982, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  50,  51,
 &end
#
#    3 LYS  HN            3 LYS  HG+         5.50    (#   1983:25  Unique         2.99, 3.92 A
)
 &rst
  ixpk= 1983, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  50,  51,
 &end
#
#   29 LYS  HN           29 LYS  HG+         3.50    (#   1984:25  Unique         2.26, 3.19 A
)
 &rst
  ixpk= 1984, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 444, 445,
 &end
#
#    2 LYS  HN            2 LYS  HG+         4.50    (#   1985:25  Unique         2.53, 3.32 A
)
 &rst
  ixpk= 1985, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  28,  29,
 &end
#
#    3 LYS  HA            3 LYS  HG-         3.50    (#   1986:25  Unique         2.31, 2.40 A
)
 &rst
  ixpk= 1986, nxpk= 25, iat=  45,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  50,  51,
 &end
#
#  130 ILE  HA          130 ILE  HG1+        4.50    (#   1989:25  Unique         3.71, 3.77 A
)
 &rst
  ixpk= 1989, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1982,1983,
 &end
#
#   26 GLY  HA+          30 ILE  HG1-        3.50    (#   1990:25  Unique         2.08, 3.18 A
)
 &rst
  ixpk= 1990, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 415, 416,
 igr2= 469, 470,
 &end
#
#  127 ILE  HA          130 ILE  HG1+        2.80    (#   1991:25  Unique         1.98, 2.34 A
)
 &rst
  ixpk= 1991, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1982,1983,
 &end
#
#  130 ILE  QD1         130 ILE  HG1-        2.80    (#   1992:25  Unique         2.37, 2.65 A
)
 &rst
  ixpk= 1992, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1985,1986,1987,
 igr2=1982,1983,
 &end
#
#    0 AMB  25-2:1993   130 ILE  HG1-        2.80    (#   1993:25  Single Ambig
)
 &rst
  ixpk= 1993, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1978,1979,1980, 465, 466, 467,
 igr2=1982,1983,
 &end
#
#    3 LYS  HN            0 AMB  25-1:1994   4.50    (#   1994:25  Single Ambig
)
 &rst
  ixpk= 1994, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=  31,  32,  53,  54,
 &end
#
#    6 PHE  HA            6 PHE  HB+         4.50    (#   1995:25  Unique         2.39, 2.71 A
)
 &rst
  ixpk= 1995, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 102, 103,
 &end
#
#    6 PHE  HA            6 PHE  HB-         3.50    (#   1996:25  Unique         2.39, 2.71 A
)
 &rst
  ixpk= 1996, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 102, 103,
 &end
#
#   34 SER  HA            6 PHE  HB+         5.50    (#   1997:25  Unique         2.33, 3.27 A
)
 &rst
  ixpk= 1997, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#   34 SER  HA            6 PHE  HB-         5.50    (#   1998:25  Unique         2.33, 3.27 A
)
 &rst
  ixpk= 1998, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    6 PHE  HD            6 PHE  HB+         3.50    (#   1999:25  Unique         2.36, 3.08 A
)
 &rst
  ixpk= 1999, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 114,
 igr2= 102, 103,
 &end
#
#    6 PHE  HN            6 PHE  HB+         5.50    (#   2000:25  Unique         2.51, 3.24 A
)
 &rst
  ixpk= 2000, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    6 PHE  HN            6 PHE  HB-         4.50    (#   2001:25  Unique         2.51, 3.24 A
)
 &rst
  ixpk= 2001, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 102, 103,
 &end
#
#    7 VAL  HN            6 PHE  HB+         5.50    (#   2002:25  Unique         2.98, 3.90 A
)
 &rst
  ixpk= 2002, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    7 VAL  HN            6 PHE  HB-         5.50    (#   2003:25  Unique         2.98, 3.90 A
)
 &rst
  ixpk= 2003, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#   34 SER  HB+           6 PHE  HB+         3.50    (#   2004:25  Unique         2.42, 3.75 A
)
 &rst
  ixpk= 2004, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 522, 523,
 igr2= 102, 103,
 &end
#
#   15 SER  HA            6 PHE  HB-         3.50    (#   2005:25  Unique         2.25, 2.75 A
)
 &rst
  ixpk= 2005, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 102, 103,
 &end
#
#    0 AMB  25-2:2006     4 VAL  HA          4.50    (#   2006:25  Single Ambig
)
 &rst
  ixpk= 2006, nxpk= 25, iat=  -1,  67, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  85,  86,  50,  51,
 &end
#
#   75 VAL  HB            4 VAL  HA          4.50    (#   2007:25  Unique         2.01, 4.29 A
)
 &rst
  ixpk= 2007, nxpk= 25, iat=1103,  67, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  HN            4 VAL  HA          5.50    (#   2009:25  Unique         4.97, 5.17 A
)
 &rst
  ixpk= 2009, nxpk= 25, iat=1115,  67, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 VAL  HN            4 VAL  HA          3.50    (#   2010:25  Unique         2.93, 2.95 A
)
 &rst
  ixpk= 2010, nxpk= 25, iat=  65,  67, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 VAL  HA            4 VAL  HB          3.50    (#   2011:25  Unique         2.46, 2.72 A
)
 &rst
  ixpk= 2011, nxpk= 25, iat=  67,  69, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  HA            4 VAL  MGX         4.50    (#   2013:25  Unique         2.17, 4.46 A
)
 &rst
  ixpk= 2013, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  25-2:2014    75 VAL  MGY         4.50    (#   2014:25  Single Ambig
)
 &rst
  ixpk= 2014, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  23,1133,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#    4 VAL  HN            4 VAL  MGY         4.50    (#   2016:25  Unique         2.08, 3.87 A
)
 &rst
  ixpk= 2016, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   32 VAL  HA            4 VAL  MGY         5.50    (#   2017:25  Unique         2.17, 4.46 A
)
 &rst
  ixpk= 2017, nxpk= 25, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   34 SER  HA            5 MET  HA          4.50    (#   2018:25  Unique         3.76, 4.21 A
)
 &rst
  ixpk= 2018, nxpk= 25, iat= 520,  83, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 THR  HB            5 MET  HA          4.50    (#   2019:25  Unique         2.92, 3.33 A
)
 &rst
  ixpk= 2019, nxpk= 25, iat= 508,  83, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HB+           5 MET  HA          4.50    (#   2020:25  Unique         4.57, 5.23 A
)
 &rst
  ixpk= 2020, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 102, 103,
 &end
#
#   32 VAL  MGY           5 MET  HA          5.50    (#   2021:25  Unique         3.39, 6.01 A
)
 &rst
  ixpk= 2021, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:2022     5 MET  HA          4.50    (#   2022:25  Single Ambig
)
 &rst
  ixpk= 2022, nxpk= 25, iat=  -1,  83, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=  92,  93,  94, 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:2023     5 MET  HB-         3.50    (#   2023:25  Single Ambig
)
 &rst
  ixpk= 2023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  92,  93,  94, 124, 125, 126, 128, 129, 130,
 igr2=  85,  86,
 &end
#
#    0 AMB  25-2:2024     0 AMB  25-1:2024   3.50    (#   2024:25  Double Ambig
)
 &rst
  ixpk= 2024, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  92,  93,  94, 124, 125, 126, 128, 129, 130,
 igr2=  85,  86,  85,  86,
 &end
#
#    5 MET  HA            5 MET  HB+         3.50    (#   2025:25  Unique         2.31, 2.71 A
)
 &rst
  ixpk= 2025, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  85,  86,
 &end
#
#    5 MET  HA            5 MET  HB-         3.50    (#   2028:25  Unique         2.31, 2.71 A
)
 &rst
  ixpk= 2028, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  85,  86,
 &end
#
#    5 MET  HN            5 MET  HB+         3.50    (#   2030:25  Unique         2.25, 2.92 A
)
 &rst
  ixpk= 2030, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  85,  86,
 &end
#
#    5 MET  HN            5 MET  HB-         4.50    (#   2031:25  Unique         2.25, 2.92 A
)
 &rst
  ixpk= 2031, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  85,  86,
 &end
#
#    5 MET  HA            5 MET  HG+         4.50    (#   2032:25  Unique         2.36, 3.19 A
)
 &rst
  ixpk= 2032, nxpk= 25, iat=  83,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  88,  89,
 &end
#
#   76 VAL  HB            5 MET  HG+         4.50    (#   2033:25  Unique         4.02, 5.28 A
)
 &rst
  ixpk= 2033, nxpk= 25, iat=1119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  88,  89,
 &end
#
#   79 LEU  MDX           6 PHE  HA          3.50    (#   2034:25  Unique         2.48, 4.51 A
)
 &rst
  ixpk= 2034, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  25-2:2035     6 PHE  HA          5.50    (#   2035:25  Single Ambig
)
 &rst
  ixpk= 2035, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1141,1142, 300, 301, 302,
 &end
#
#    7 VAL  MGX           6 PHE  HA          5.50    (#   2036:25  Unique         3.38, 5.64 A
)
 &rst
  ixpk= 2036, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:2037     6 PHE  HA          4.50    (#   2037:25  Single Ambig
)
 &rst
  ixpk= 2037, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1168,1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:2038     6 PHE  HA          4.50    (#   2038:25  Single Ambig
)
 &rst
  ixpk= 2038, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 253,1154,1155,
 &end
#
#    6 PHE  HE            6 PHE  HA          4.50    (#   2039:25  Unique         4.89, 5.32 A
)
 &rst
  ixpk= 2039, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 108, 112,
 &end
#
#   79 LEU  MDX           6 PHE  HB+         4.50    (#   2042:25  Unique         2.18, 4.28 A
)
 &rst
  ixpk= 2042, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 102, 103,
 &end
#
#   79 LEU  MDX           6 PHE  HB-         3.50    (#   2043:25  Unique         2.18, 4.28 A
)
 &rst
  ixpk= 2043, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2= 102, 103,
 &end
#
#   18 ALA  MB            6 PHE  HB+         5.50    (#   2044:25  Unique         3.00, 4.22 A
)
 &rst
  ixpk= 2044, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 300, 301, 302,
 igr2= 102, 103,
 &end
#
#   18 ALA  MB            6 PHE  HB-         4.50    (#   2045:25  Unique         3.00, 4.22 A
)
 &rst
  ixpk= 2045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 300, 301, 302,
 igr2= 102, 103,
 &end
#
#   77 ILE  QG2           6 PHE  HA          4.50    (#   2046:25  Unique         3.51, 4.32 A
)
 &rst
  ixpk= 2046, nxpk= 25, iat=  -1, 100, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#   63 ASP  HN           35 CYS  HA          4.50    (#   2047:25  Unique         3.40, 3.71 A
)
 &rst
  ixpk= 2047, nxpk= 25, iat= 924, 531, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN            6 PHE  HB+         5.50    (#   2048:25  Unique         2.51, 3.24 A
)
 &rst
  ixpk= 2048, nxpk= 25, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#   34 SER  HA            7 VAL  HA          5.50    (#   2053:25  Unique         4.24, 4.42 A
)
 &rst
  ixpk= 2053, nxpk= 25, iat= 520, 120, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HN            7 VAL  HA          4.50    (#   2054:25  Unique         2.94, 2.98 A
)
 &rst
  ixpk= 2054, nxpk= 25, iat= 118, 120, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HB-           7 VAL  HB          5.50    (#   2055:25  Unique         2.68, 4.24 A
)
 &rst
  ixpk= 2055, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1154,1155,
 &end
#
#   86 LEU  MDY           7 VAL  HB          2.80    (#   2056:25  Unique         2.22, 3.91 A
)
 &rst
  ixpk= 2056, nxpk= 25, iat=  -1, 122, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:2058     7 VAL  MGY         3.50    (#   2058:25  Single Ambig
)
 &rst
  ixpk= 2058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1121,1122,1123,1125,1126,1127, 960, 961,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:2062     7 VAL  MGY         5.50    (#   2062:25  Single Ambig
)
 &rst
  ixpk= 2062, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 542, 543, 136,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   37 LEU  HN            7 VAL  MGY         5.50    (#   2063:25  Unique         3.27, 5.67 A
)
 &rst
  ixpk= 2063, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:2065     7 VAL  MGX         4.50    (#   2065:25  Single Ambig
)
 &rst
  ixpk= 2065, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 134,1131,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HN            7 VAL  MGY         4.50    (#   2066:25  Unique         2.11, 4.04 A
)
 &rst
  ixpk= 2066, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   37 LEU  HN            8 CYS  HA          4.50    (#   2067:25  Unique         4.53, 4.67 A
)
 &rst
  ixpk= 2067, nxpk= 25, iat= 547, 136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HN            8 CYS  HA          5.50    (#   2068:25  Unique         3.56, 4.06 A
)
 &rst
  ixpk= 2068, nxpk= 25, iat=1180, 136, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    8 CYS  HN            8 CYS  HA          4.50    (#   2069:25  Unique         2.96, 2.99 A
)
 &rst
  ixpk= 2069, nxpk= 25, iat= 134, 136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 LEU  HN            8 CYS  HA          5.50    (#   2070:25  Unique         2.85, 3.00 A
)
 &rst
  ixpk= 2070, nxpk= 25, iat=1161, 136, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 CYS  HA            8 CYS  HA          4.50    (#   2071:25  Unique         2.33, 3.26 A
)
 &rst
  ixpk= 2071, nxpk= 25, iat=1182, 136, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 LEU  HB-           8 CYS  HA          4.50    (#   2072:25  Unique         2.40, 4.15 A
)
 &rst
  ixpk= 2072, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1165,1166,
 &end
#
#    0 AMB  25-2:2073     8 CYS  HA          5.50    (#   2073:25  Single Ambig
)
 &rst
  ixpk= 2073, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1255,1256,1257,1259,1260,1261,1170,1171,1172,1174,
      1175,1176,
 &end
#
#    7 VAL  MGY           8 CYS  HA          5.50    (#   2074:25  Unique         3.38, 5.67 A
)
 &rst
  ixpk= 2074, nxpk= 25, iat=  -1, 136, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    8 CYS  HA            8 CYS  HB+         3.50    (#   2075:25  Unique         2.28, 2.62 A
)
 &rst
  ixpk= 2075, nxpk= 25, iat= 136,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 138, 139,
 &end
#
#    8 CYS  HA            8 CYS  HB-         3.50    (#   2076:25  Unique         2.28, 2.62 A
)
 &rst
  ixpk= 2076, nxpk= 25, iat= 136,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 138, 139,
 &end
#
#   90 TRP  HN           90 TRP  HB+         3.50    (#   2079:25  Unique         2.29, 2.98 A
)
 &rst
  ixpk= 2079, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   91 VAL  HN           90 TRP  HB+         4.50    (#   2080:25  Unique         2.69, 3.54 A
)
 &rst
  ixpk= 2080, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1312,1313,
 &end
#
#   91 VAL  HN           90 TRP  HB-         3.50    (#   2081:25  Unique         2.69, 3.54 A
)
 &rst
  ixpk= 2081, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   90 TRP  HA           90 TRP  HB-         3.50    (#   2082:25  Unique         2.37, 2.75 A
)
 &rst
  ixpk= 2082, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1312,1313,
 &end
#
#   86 LEU  HB-          90 TRP  HB+         3.50    (#   2083:25  Unique         2.50, 3.78 A
)
 &rst
  ixpk= 2083, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1312,1313,
 &end
#
#   86 LEU  HB-          90 TRP  HB-         3.50    (#   2084:25  Unique         2.50, 3.78 A
)
 &rst
  ixpk= 2084, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1312,1313,
 &end
#
#   76 VAL  MGY          90 TRP  HB-         3.50    (#   2085:25  Unique         2.08, 4.33 A
)
 &rst
  ixpk= 2085, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1312,1313,
 &end
#
#   79 LEU  HB-           8 CYS  HB+         3.50    (#   2086:25  Unique         2.07, 3.71 A
)
 &rst
  ixpk= 2086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1165,1166,
 igr2= 138, 139,
 &end
#
#   86 LEU  MDY          90 TRP  HB-         3.50    (#   2087:25  Unique         2.24, 4.38 A
)
 &rst
  ixpk= 2087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1312,1313,
 &end
#
#   86 LEU  MDY          90 TRP  HB+         3.50    (#   2088:25  Unique         2.24, 4.38 A
)
 &rst
  ixpk= 2088, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1312,1313,
 &end
#
#   91 VAL  MGY          90 TRP  HB+         5.50    (#   2089:25  Unique         3.60, 6.38 A
)
 &rst
  ixpk= 2089, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1312,1313,
 &end
#
#   91 VAL  MGY          90 TRP  HB-         5.50    (#   2090:25  Unique         3.60, 6.38 A
)
 &rst
  ixpk= 2090, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1312,1313,
 &end
#
#    0 AMB  25-2:2092     9 LYS  HA          5.50    (#   2092:25  Single Ambig
)
 &rst
  ixpk= 2092, nxpk= 25, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 136, 542, 543,
 &end
#
#   38 GLU  HN            9 LYS  HA          4.50    (#   2093:25  Unique         3.63, 4.00 A
)
 &rst
  ixpk= 2093, nxpk= 25, iat= 566, 147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 LYS  HG-           9 LYS  HB+         3.50    (#   2096:25  Unique         2.39, 2.77 A
)
 &rst
  ixpk= 2096, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 152, 153,
 igr2= 149, 150,
 &end
#
#    9 LYS  HA            9 LYS  HG-         3.50    (#   2097:25  Unique         2.34, 2.76 A
)
 &rst
  ixpk= 2097, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 152, 153,
 &end
#
#    9 LYS  HA            9 LYS  HG+         3.50    (#   2098:25  Unique         2.34, 2.76 A
)
 &rst
  ixpk= 2098, nxpk= 25, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 152, 153,
 &end
#
#   93 GLN  HA           93 GLN  HB-         3.50    (#   2100:25  Unique         2.41, 2.76 A
)
 &rst
  ixpk= 2100, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#    9 LYS  HE+           9 LYS  HG+         3.50    (#   2101:25  Unique         2.38, 2.91 A
)
 &rst
  ixpk= 2101, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 158, 159,
 igr2= 152, 153,
 &end
#
#    9 LYS  HE+           9 LYS  HG-         3.50    (#   2102:25  Unique         2.38, 2.91 A
)
 &rst
  ixpk= 2102, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 158, 159,
 igr2= 152, 153,
 &end
#
#   93 GLN  HN           93 GLN  HB-         3.50    (#   2103:25  Unique         2.23, 3.06 A
)
 &rst
  ixpk= 2103, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1366,1367,
 &end
#
#    0 AMB  25-2:2106    23 LYS  HG-         4.50    (#   2106:25  Single Ambig
)
 &rst
  ixpk= 2106, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 382, 360,
 igr2= 365, 366,
 &end
#
#   20 GLY  HA+          23 LYS  HE+         2.80    (#   2107:25  Unique         2.84, 4.49 A
)
 &rst
  ixpk= 2107, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 323, 324,
 igr2= 371, 372,
 &end
#
#    0 AMB  25-2:2111    10 ARG  HA          4.50    (#   2111:25  Single Ambig
)
 &rst
  ixpk= 2111, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 573, 574, 195, 196,
 &end
#
#   10 ARG  HD-          10 ARG  HA          4.50    (#   2112:25  Unique         3.19, 4.95 A
)
 &rst
  ixpk= 2112, nxpk= 25, iat=  -1, 169, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 177, 178,
 &end
#
#   38 GLU  HN           10 ARG  HA          4.50    (#   2114:25  Unique         3.18, 3.46 A
)
 &rst
  ixpk= 2114, nxpk= 25, iat= 566, 169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 ARG  HN           10 ARG  HB-         3.50    (#   2115:25  Unique         2.65, 3.52 A
)
 &rst
  ixpk= 2115, nxpk= 25, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 171, 172,
 &end
#
#  117 GLY  HN          116 ARG  HB-         4.50    (#   2116:25  Unique         2.49, 3.26 A
)
 &rst
  ixpk= 2116, nxpk= 25, iat=1756,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1736,1737,
 &end
#
#  104 PRO  HG-         115 VAL  HB          3.50    (#   2117:25  Unique         2.43, 2.97 A
)
 &rst
  ixpk= 2117, nxpk= 25, iat=  -1,1720, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1551,1552,
 &end
#
#  125 ASN  HB-         126 LEU  HG          5.50    (#   2118:25  Unique         5.53, 6.19 A
)
 &rst
  ixpk= 2118, nxpk= 25, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#   10 ARG  HN           10 ARG  HG+         3.50    (#   2119:25  Unique         2.13, 2.82 A
)
 &rst
  ixpk= 2119, nxpk= 25, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 174, 175,
 &end
#
#   55 ILE  HN           55 ILE  HG1-        4.50    (#   2120:25  Unique         2.68, 3.44 A
)
 &rst
  ixpk= 2120, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 824, 825,
 &end
#
#   89 GLU  HN           89 GLU  HB-         4.50    (#   2121:25  Unique         2.42, 3.07 A
)
 &rst
  ixpk= 2121, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1297,1298,
 &end
#
#   10 ARG  HA           10 ARG  HD-         4.50    (#   2122:25  Unique         3.19, 4.95 A
)
 &rst
  ixpk= 2122, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 177, 178,
 &end
#
#   37 LEU  HN           36 GLY  HA-         3.50    (#   2123:25  Unique         2.24, 2.54 A
)
 &rst
  ixpk= 2123, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#   11 ASN  HB+          11 ASN  HA          5.50    (#   2124:25  Unique         2.44, 2.77 A
)
 &rst
  ixpk= 2124, nxpk= 25, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 195, 196,
 &end
#
#   35 CYS  HN           11 ASN  HA          4.50    (#   2125:25  Unique         4.17, 4.47 A
)
 &rst
  ixpk= 2125, nxpk= 25, iat= 529, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 ASN  HN           11 ASN  HB+         4.50    (#   2126:25  Unique         2.23, 3.20 A
)
 &rst
  ixpk= 2126, nxpk= 25, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 195, 196,
 &end
#
#   11 ASN  HN           11 ASN  HB-         4.50    (#   2127:25  Unique         2.23, 3.20 A
)
 &rst
  ixpk= 2127, nxpk= 25, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 195, 196,
 &end
#
#   11 ASN  HD2-         11 ASN  HB-         5.50    (#   2128:25  Unique         2.30, 3.19 A
)
 &rst
  ixpk= 2128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 200, 201,
 igr2= 195, 196,
 &end
#
#   36 GLY  HA+          11 ASN  HB+         5.50    (#   2130:25  Unique         2.15, 3.82 A
)
 &rst
  ixpk= 2130, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 542, 543,
 igr2= 195, 196,
 &end
#
#    0 AMB  25-2:2131     0 AMB  25-1:2131   5.50    (#   2131:25  Double Ambig
)
 &rst
  ixpk= 2131, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 531, 169,
 igr2= 195, 196, 195, 196,
 &end
#
#    0 AMB  25-2:2132     0 AMB  25-1:2132   5.50    (#   2132:25  Double Ambig
)
 &rst
  ixpk= 2132, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 946, 915,
 igr2= 195, 196, 195, 196,
 &end
#
#    0 AMB  25-2:2135    11 ASN  HB-         3.50    (#   2135:25  Single Ambig
)
 &rst
  ixpk= 2135, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 583, 193,
 igr2= 195, 196,
 &end
#
#   36 GLY  HA-          11 ASN  HB+         3.50    (#   2136:25  Unique         2.15, 3.82 A
)
 &rst
  ixpk= 2136, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 542, 543,
 igr2= 195, 196,
 &end
#
#   36 GLY  HA-          11 ASN  HB-         3.50    (#   2137:25  Unique         2.15, 3.82 A
)
 &rst
  ixpk= 2137, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 542, 543,
 igr2= 195, 196,
 &end
#
#   43 HIS  HN           12 SER  HA          4.50    (#   2138:25  Unique         2.97, 3.25 A
)
 &rst
  ixpk= 2138, nxpk= 25, iat= 643, 207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLN  HE2-         12 SER  HA          5.50    (#   2140:25  Unique         4.06, 5.40 A
)
 &rst
  ixpk= 2140, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 274, 275,
 &end
#
#   62 SER  HB-          12 SER  HA          4.50    (#   2141:25  Unique         3.11, 3.98 A
)
 &rst
  ixpk= 2141, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 917, 918,
 &end
#
#   43 HIS  HB+          12 SER  HA          4.50    (#   2142:25  Unique         3.89, 4.87 A
)
 &rst
  ixpk= 2142, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 647, 648,
 &end
#
#   16 GLN  HG+          12 SER  HA          4.50    (#   2143:25  Unique         2.21, 3.04 A
)
 &rst
  ixpk= 2143, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 269, 270,
 &end
#
#   10 ARG  HB-          12 SER  HA          5.50    (#   2144:25  Unique         4.79, 6.18 A
)
 &rst
  ixpk= 2144, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 171, 172,
 &end
#
#   16 GLN  HG-          12 SER  HA          4.50    (#   2145:25  Unique         2.21, 3.04 A
)
 &rst
  ixpk= 2145, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 269, 270,
 &end
#
#   42 VAL  MGY          12 SER  HA          4.50    (#   2146:25  Unique         2.81, 4.75 A
)
 &rst
  ixpk= 2146, nxpk= 25, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   10 ARG  HG+          12 SER  HB-         5.50    (#   2147:25  Unique         2.39, 4.83 A
)
 &rst
  ixpk= 2147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 174, 175,
 igr2= 209, 210,
 &end
#
#   10 ARG  HG+          12 SER  HB+         5.50    (#   2148:25  Unique         2.39, 4.83 A
)
 &rst
  ixpk= 2148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 174, 175,
 igr2= 209, 210,
 &end
#
#   10 ARG  HB-          12 SER  HB-         4.50    (#   2149:25  Unique         2.65, 4.93 A
)
 &rst
  ixpk= 2149, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 171, 172,
 igr2= 209, 210,
 &end
#
#   10 ARG  HB-          12 SER  HB+         4.50    (#   2150:25  Unique         2.65, 4.93 A
)
 &rst
  ixpk= 2150, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 171, 172,
 igr2= 209, 210,
 &end
#
#   43 HIS  HB-          12 SER  HB-         4.50    (#   2151:25  Unique         2.19, 4.00 A
)
 &rst
  ixpk= 2151, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 647, 648,
 igr2= 209, 210,
 &end
#
#   43 HIS  HB-          12 SER  HB+         4.50    (#   2152:25  Unique         2.19, 4.00 A
)
 &rst
  ixpk= 2152, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 647, 648,
 igr2= 209, 210,
 &end
#
#   43 HIS  HN           12 SER  HB-         5.50    (#   2156:25  Unique         2.35, 3.48 A
)
 &rst
  ixpk= 2156, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 209, 210,
 &end
#
#   43 HIS  HN           12 SER  HB+         5.50    (#   2157:25  Unique         2.35, 3.48 A
)
 &rst
  ixpk= 2157, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 209, 210,
 &end
#
#   80 CYS  HN           80 CYS  HB+         4.50    (#   2161:25  Unique         2.39, 3.04 A
)
 &rst
  ixpk= 2161, nxpk= 25, iat=1180,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1184,1185,
 &end
#
#   15 SER  HN           15 SER  HA          4.50    (#   2162:25  Unique         2.78, 2.84 A
)
 &rst
  ixpk= 2162, nxpk= 25, iat= 251, 253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2164    14 ARG  HA          4.50    (#   2164:25  Single Ambig
)
 &rst
  ixpk= 2164, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 286, 287,1539,1540,
 &end
#
#  113 ARG  HA          116 ARG  HB+         3.50    (#   2165:25  Unique         2.48, 3.07 A
)
 &rst
  ixpk= 2165, nxpk= 25, iat=1680,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#   14 ARG  HA           14 ARG  HB-         3.50    (#   2166:25  Unique         2.33, 2.79 A
)
 &rst
  ixpk= 2166, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 231, 232,
 &end
#
#  117 GLY  HN          116 ARG  HB+         3.50    (#   2167:25  Unique         2.49, 3.26 A
)
 &rst
  ixpk= 2167, nxpk= 25, iat=1756,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HN          116 ARG  HB+         3.50    (#   2168:25  Unique         2.33, 2.49 A
)
 &rst
  ixpk= 2168, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#   47 ILE  QG2          58 SER  HB-         3.50    (#   2169:25  Unique         2.58, 5.01 A
)
 &rst
  ixpk= 2169, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 704, 705, 706,
 igr2= 868, 869,
 &end
#
#   58 SER  HN           58 SER  HB+         4.50    (#   2170:25  Unique         2.42, 3.12 A
)
 &rst
  ixpk= 2170, nxpk= 25, iat= 864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 868, 869,
 &end
#
#   58 SER  HN           58 SER  HB-         4.50    (#   2171:25  Unique         2.42, 3.12 A
)
 &rst
  ixpk= 2171, nxpk= 25, iat= 864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 868, 869,
 &end
#
#   58 SER  HA           58 SER  HB+         3.50    (#   2172:25  Unique         2.24, 2.60 A
)
 &rst
  ixpk= 2172, nxpk= 25, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 868, 869,
 &end
#
#   60 GLN  HE2+         16 GLN  HA          3.50    (#   2173:25  Unique         3.12, 3.51 A
)
 &rst
  ixpk= 2173, nxpk= 25, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 894, 895,
 &end
#
#   38 GLU  HN           37 LEU  HA          3.50    (#   2174:25  Unique         3.47, 3.50 A
)
 &rst
  ixpk= 2174, nxpk= 25, iat= 566, 549, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HN           16 GLN  HA          3.50    (#   2176:25  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 2176, nxpk= 25, iat= 262, 264, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:2178     0 AMB  25-1:2178   4.50    (#   2178:25  Double Ambig
)
 &rst
  ixpk= 2178, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 976, 977, 889, 890, 533, 534, 283, 284, 943, 944,
       886, 887,
 igr2= 549, 264,
 &end
#
#   57 ILE  QD1          16 GLN  HA          4.50    (#   2179:25  Unique         4.46, 5.60 A
)
 &rst
  ixpk= 2179, nxpk= 25, iat=  -1, 264, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 858, 859, 860,
 &end
#
#   57 ILE  QD1          16 GLN  HB+         3.50    (#   2180:25  Unique         2.81, 4.11 A
)
 &rst
  ixpk= 2180, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 858, 859, 860,
 igr2= 266, 267,
 &end
#
#   42 VAL  MGY          16 GLN  HB+         3.50    (#   2181:25  Unique         2.38, 4.47 A
)
 &rst
  ixpk= 2181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 266, 267,
 &end
#
#  116 ARG  HD-         116 ARG  HG+         3.50    (#   2182:25  Unique         2.17, 2.54 A
)
 &rst
  ixpk= 2182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD+         116 ARG  HG+         4.50    (#   2183:25  Unique         2.17, 2.54 A
)
 &rst
  ixpk= 2183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HA          116 ARG  HG+         4.50    (#   2184:25  Unique         2.36, 2.99 A
)
 &rst
  ixpk= 2184, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1739,1740,
 &end
#
#   16 GLN  HA           16 GLN  HB+         4.50    (#   2185:25  Unique         2.64, 2.86 A
)
 &rst
  ixpk= 2185, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 266, 267,
 &end
#
#   16 GLN  HA           16 GLN  HB-         3.50    (#   2186:25  Unique         2.64, 2.86 A
)
 &rst
  ixpk= 2186, nxpk= 25, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 266, 267,
 &end
#
#   16 GLN  HN           16 GLN  HB+         4.50    (#   2188:25  Unique         2.15, 2.87 A
)
 &rst
  ixpk= 2188, nxpk= 25, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 266, 267,
 &end
#
#   16 GLN  HN           16 GLN  HB-         4.50    (#   2189:25  Unique         2.15, 2.87 A
)
 &rst
  ixpk= 2189, nxpk= 25, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 266, 267,
 &end
#
#   21 PHE  HD          116 ARG  HG+         4.50    (#   2190:25  Unique         4.44, 6.03 A
)
 &rst
  ixpk= 2190, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 336, 344,
 igr2=1739,1740,
 &end
#
#   21 PHE  HE          116 ARG  HG+         3.50    (#   2191:25  Unique         2.26, 3.98 A
)
 &rst
  ixpk= 2191, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 338, 342,
 igr2=1739,1740,
 &end
#
#   21 PHE  HE          116 ARG  HG-         4.50    (#   2193:25  Unique         2.26, 3.98 A
)
 &rst
  ixpk= 2193, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 338, 342,
 igr2=1739,1740,
 &end
#
#   16 GLN  HE2-         16 GLN  HG+         3.50    (#   2194:25  Unique         2.13, 3.20 A
)
 &rst
  ixpk= 2194, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 274, 275,
 igr2= 269, 270,
 &end
#
#   42 VAL  MGY          16 GLN  HG-         3.50    (#   2196:25  Unique         2.18, 4.42 A
)
 &rst
  ixpk= 2196, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 269, 270,
 &end
#
#   42 VAL  MGY          16 GLN  HG+         2.80    (#   2197:25  Unique         2.18, 4.42 A
)
 &rst
  ixpk= 2197, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 269, 270,
 &end
#
#   57 ILE  QD1          17 MET  HA          3.50    (#   2198:25  Unique         2.20, 3.09 A
)
 &rst
  ixpk= 2198, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 858, 859, 860,
 &end
#
#   57 ILE  HG1-         17 MET  HA          4.50    (#   2199:25  Unique         3.39, 4.25 A
)
 &rst
  ixpk= 2199, nxpk= 25, iat=  -1, 281, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 855, 856,
 &end
#
#   20 GLY  HN           17 MET  HA          3.50    (#   2202:25  Unique         3.29, 3.42 A
)
 &rst
  ixpk= 2202, nxpk= 25, iat= 321, 281, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 MET  HN           50 MET  HG+         4.50    (#   2203:25  Unique         2.05, 2.80 A
)
 &rst
  ixpk= 2203, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 751, 752,
 &end
#
#  100 GLN  HE2-        100 GLN  HG-         3.50    (#   2204:25  Unique         2.29, 3.46 A
)
 &rst
  ixpk= 2204, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#  100 GLN  HE2-        100 GLN  HG+         3.50    (#   2205:25  Unique         2.29, 3.46 A
)
 &rst
  ixpk= 2205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#   93 GLN  HN           93 GLN  HG+         3.50    (#   2206:25  Unique         2.46, 3.28 A
)
 &rst
  ixpk= 2206, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1369,1370,
 &end
#
#   17 MET  HN           17 MET  HG-         4.50    (#   2207:25  Unique         2.25, 3.05 A
)
 &rst
  ixpk= 2207, nxpk= 25, iat= 279,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 286, 287,
 &end
#
#   17 MET  HN           17 MET  HB+         4.50    (#   2208:25  Unique         2.30, 2.96 A
)
 &rst
  ixpk= 2208, nxpk= 25, iat= 279,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 283, 284,
 &end
#
#   17 MET  HA           17 MET  HB+         3.50    (#   2209:25  Unique         2.50, 2.80 A
)
 &rst
  ixpk= 2209, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 283, 284,
 &end
#
#  119 VAL  MGX          17 MET  HB+         4.50    (#   2210:25  Unique         2.55, 4.58 A
)
 &rst
  ixpk= 2210, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1786,1787,1788,1790,1791,1792,
 igr2= 283, 284,
 &end
#
#   76 VAL  MGX          93 GLN  HG-         4.50    (#   2211:25  Unique         2.39, 4.60 A
)
 &rst
  ixpk= 2211, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1369,1370,
 &end
#
#   57 ILE  QD1          50 MET  HG+         3.50    (#   2216:25  Unique         2.10, 3.81 A
)
 &rst
  ixpk= 2216, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 858, 859, 860,
 igr2= 751, 752,
 &end
#
#   57 ILE  HG1-         50 MET  HG+         5.50    (#   2217:25  Unique         1.99, 3.71 A
)
 &rst
  ixpk= 2217, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 855, 856,
 igr2= 751, 752,
 &end
#
#   17 MET  HA           17 MET  HG+         3.50    (#   2218:25  Unique         2.19, 2.68 A
)
 &rst
  ixpk= 2218, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 286, 287,
 &end
#
#   17 MET  HA           17 MET  HG-         3.50    (#   2219:25  Unique         2.19, 2.68 A
)
 &rst
  ixpk= 2219, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 286, 287,
 &end
#
#   43 HIS  HA           43 HIS  HB+         4.50    (#   2220:25  Unique         2.55, 2.82 A
)
 &rst
  ixpk= 2220, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   12 SER  HB-          43 HIS  HB+         5.50    (#   2221:25  Unique         2.19, 4.00 A
)
 &rst
  ixpk= 2221, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 209, 210,
 igr2= 647, 648,
 &end
#
#   93 GLN  HA           93 GLN  HG+         4.50    (#   2223:25  Unique         2.45, 3.44 A
)
 &rst
  ixpk= 2223, nxpk= 25, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1369,1370,
 &end
#
#   90 TRP  HA           93 GLN  HG+         5.50    (#   2224:25  Unique         2.37, 3.12 A
)
 &rst
  ixpk= 2224, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1369,1370,
 &end
#
#   43 HIS  HD2          43 HIS  HB-         5.50    (#   2227:25  Unique         2.70, 3.34 A
)
 &rst
  ixpk= 2227, nxpk= 25, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 647, 648,
 &end
#
#   46 ALA  HN           43 HIS  HB-         4.50    (#   2228:25  Unique         3.01, 4.14 A
)
 &rst
  ixpk= 2228, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   46 ALA  HN           43 HIS  HB+         4.50    (#   2229:25  Unique         3.01, 4.14 A
)
 &rst
  ixpk= 2229, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#  118 GLN  HE2+        118 GLN  HG+         3.50    (#   2230:25  Unique         2.20, 3.28 A
)
 &rst
  ixpk= 2230, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2+        118 GLN  HG-         3.50    (#   2231:25  Unique         2.20, 3.28 A
)
 &rst
  ixpk= 2231, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#   17 MET  HN           17 MET  HG+         3.50    (#   2232:25  Unique         2.25, 3.05 A
)
 &rst
  ixpk= 2232, nxpk= 25, iat= 279,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 286, 287,
 &end
#
#   21 PHE  HN           18 ALA  HA          4.50    (#   2233:25  Unique         3.35, 3.54 A
)
 &rst
  ixpk= 2233, nxpk= 25, iat= 328, 298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  HN           18 ALA  HA          5.50    (#   2234:25  Unique         3.58, 3.83 A
)
 &rst
  ixpk= 2234, nxpk= 25, iat= 348, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 GLU  HN           18 ALA  HA          4.50    (#   2235:25  Unique         3.53, 3.57 A
)
 &rst
  ixpk= 2235, nxpk= 25, iat= 306, 298, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HE           18 ALA  HA          5.50    (#   2236:25  Unique         3.68, 5.81 A
)
 &rst
  ixpk= 2236, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 338, 342,
 &end
#
#    6 PHE  HZ           18 ALA  HA          5.50    (#   2237:25  Unique         5.15, 5.32 A
)
 &rst
  ixpk= 2237, nxpk= 25, iat= 110, 298, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HB+          18 ALA  HA          4.50    (#   2238:25  Unique         2.60, 3.72 A
)
 &rst
  ixpk= 2238, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB-          18 ALA  HA          3.50    (#   2239:25  Unique         2.60, 3.72 A
)
 &rst
  ixpk= 2239, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#    0 AMB  25-2:2240    18 ALA  HA          4.50    (#   2240:25  Single Ambig
)
 &rst
  ixpk= 2240, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 283, 284,1784,
 &end
#
#   22 ALA  MB           18 ALA  HA          4.50    (#   2241:25  Unique         4.41, 5.52 A
)
 &rst
  ixpk= 2241, nxpk= 25, iat=  -1, 298, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 352, 353, 354,
 &end
#
#    0 AMB  25-2:2242     0 AMB  25-1:2242   3.50    (#   2242:25  Double Ambig
)
 &rst
  ixpk= 2242, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 837, 838, 332, 333,
 igr2= 820, 821, 822, 300, 301, 302,
 &end
#
#   21 PHE  HD            0 AMB  25-1:2244   5.50    (#   2244:25  Single Ambig
)
 &rst
  ixpk= 2244, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 336, 344,
 igr2= 820, 821, 822, 300, 301, 302,
 &end
#
#   21 PHE  HN            0 AMB  25-1:2245   5.50    (#   2245:25  Single Ambig
)
 &rst
  ixpk= 2245, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 820, 821, 822, 300, 301, 302,
 &end
#
#   22 ALA  HN           19 GLU  HA          4.50    (#   2246:25  Unique         3.16, 3.33 A
)
 &rst
  ixpk= 2246, nxpk= 25, iat= 348, 308, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2247    19 GLU  HA          4.50    (#   2247:25  Single Ambig
)
 &rst
  ixpk= 2247, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 358, 504,
 &end
#
#   18 ALA  MB           19 GLU  HA          4.50    (#   2248:25  Unique         4.06, 4.88 A
)
 &rst
  ixpk= 2248, nxpk= 25, iat=  -1, 308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 300, 301, 302,
 &end
#
#    0 AMB  25-2:2251     0 AMB  25-1:2251   4.50    (#   2251:25  Double Ambig
)
 &rst
  ixpk= 2251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 328, 894, 895,
 igr2= 323, 324, 323, 324,
 &end
#
#   23 LYS  HN           20 GLY  HA+         5.50    (#   2252:25  Unique         3.77, 4.55 A
)
 &rst
  ixpk= 2252, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:2253    20 GLY  HA-         5.50    (#   2253:25  Single Ambig
)
 &rst
  ixpk= 2253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 358, 833,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:2254    20 GLY  HA-         4.50    (#   2254:25  Single Ambig
)
 &rst
  ixpk= 2254, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 328, 894, 895,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:2258     0 AMB  25-1:2258   3.50    (#   2258:25  Double Ambig
)
 &rst
  ixpk= 2258, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 365, 366, 368, 369,
 igr2= 323, 324, 323, 324,
 &end
#
#    0 AMB  25-2:2259     0 AMB  25-1:2259   3.50    (#   2259:25  Double Ambig
)
 &rst
  ixpk= 2259, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 313, 314, 362, 363, 748, 749,
 igr2= 323, 324, 323, 324, 323, 324,
 &end
#
#    0 AMB  25-2:2260    20 GLY  HA-         4.50    (#   2260:25  Single Ambig
)
 &rst
  ixpk= 2260, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 365, 366, 368, 369,
 igr2= 323, 324,
 &end
#
#    0 AMB  25-2:2261    20 GLY  HA-         4.50    (#   2261:25  Single Ambig
)
 &rst
  ixpk= 2261, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 313, 314, 362, 363, 748, 749,
 igr2= 323, 324,
 &end
#
#   55 ILE  QG2          20 GLY  HA+         3.50    (#   2262:25  Unique         3.02, 3.99 A
)
 &rst
  ixpk= 2262, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 323, 324,
 &end
#
#   55 ILE  QG2          20 GLY  HA-         3.50    (#   2263:25  Unique         3.02, 3.99 A
)
 &rst
  ixpk= 2263, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 323, 324,
 &end
#
#   55 ILE  QG2          21 PHE  HA          5.50    (#   2264:25  Unique         3.42, 4.91 A
)
 &rst
  ixpk= 2264, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 820, 821, 822,
 &end
#
#   50 MET  ME           21 PHE  HA          4.50    (#   2265:25  Unique         3.06, 3.83 A
)
 &rst
  ixpk= 2265, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 755, 756, 757,
 &end
#
#    0 AMB  25-2:2266    21 PHE  HA          4.50    (#   2266:25  Single Ambig
)
 &rst
  ixpk= 2266, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,1806,
      1807,
 &end
#
#    0 AMB  25-2:2267    21 PHE  HA          4.50    (#   2267:25  Single Ambig
)
 &rst
  ixpk= 2267, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 398, 399, 352, 353, 354,
 &end
#
#   25 LEU  HG           21 PHE  HA          4.50    (#   2268:25  Unique         3.42, 3.49 A
)
 &rst
  ixpk= 2268, nxpk= 25, iat= 401, 330, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HE           21 PHE  HA          4.50    (#   2270:25  Unique         4.37, 5.22 A
)
 &rst
  ixpk= 2270, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 338, 342,
 &end
#
#    0 AMB  25-2:2271    21 PHE  HA          4.50    (#   2271:25  Single Ambig
)
 &rst
  ixpk= 2271, nxpk= 25, iat=  -1, 330, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 394, 358,
 &end
#
#   22 ALA  HN           21 PHE  HA          5.50    (#   2272:25  Unique         3.62, 3.63 A
)
 &rst
  ixpk= 2272, nxpk= 25, iat= 348, 330, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HN           21 PHE  HB+         4.50    (#   2273:25  Unique         2.44, 3.07 A
)
 &rst
  ixpk= 2273, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   22 ALA  HN           21 PHE  HB+         4.50    (#   2274:25  Unique         2.44, 3.05 A
)
 &rst
  ixpk= 2274, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   22 ALA  HN           21 PHE  HB-         4.50    (#   2275:25  Unique         2.44, 3.05 A
)
 &rst
  ixpk= 2275, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   21 PHE  HA           21 PHE  HB-         4.50    (#   2276:25  Unique         2.41, 2.77 A
)
 &rst
  ixpk= 2276, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   18 ALA  HA           21 PHE  HB+         4.50    (#   2277:25  Unique         2.60, 3.72 A
)
 &rst
  ixpk= 2277, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#   18 ALA  HA           21 PHE  HB-         5.50    (#   2278:25  Unique         2.60, 3.72 A
)
 &rst
  ixpk= 2278, nxpk= 25, iat= 298,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 332, 333,
 &end
#
#  123 VAL  MGY          21 PHE  HB+         3.50    (#   2279:25  Unique         2.43, 4.14 A
)
 &rst
  ixpk= 2279, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 332, 333,
 &end
#
#  123 VAL  MGY          21 PHE  HB-         3.50    (#   2280:25  Unique         2.43, 4.14 A
)
 &rst
  ixpk= 2280, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 332, 333,
 &end
#
#    0 AMB  25-2:2281     0 AMB  25-1:2281   5.50    (#   2281:25  Double Ambig
)
 &rst
  ixpk= 2281, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 755, 756, 757,1800,1801,
 igr2= 332, 333, 332, 333,
 &end
#
#    0 AMB  25-2:2282    21 PHE  HB-         5.50    (#   2282:25  Single Ambig
)
 &rst
  ixpk= 2282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1= 755, 756, 757,1800,1801,
 igr2= 332, 333,
 &end
#
#   76 VAL  MGX          73 TYR  HB+         4.50    (#   2283:25  Unique         2.46, 4.79 A
)
 &rst
  ixpk= 2283, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1070,1071,
 &end
#
#  123 VAL  HB           21 PHE  HB+         4.50    (#   2285:25  Unique         3.44, 3.63 A
)
 &rst
  ixpk= 2285, nxpk= 25, iat=1861,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 332, 333,
 &end
#
#  112 PHE  HD           46 ALA  HA          3.50    (#   2286:25  Unique         2.88, 4.98 A
)
 &rst
  ixpk= 2286, nxpk= 25, iat=  -1, 690, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#   21 PHE  HN           22 ALA  MB          5.50    (#   2287:25  Unique         4.88, 5.47 A
)
 &rst
  ixpk= 2287, nxpk= 25, iat= 328,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 352, 353, 354,
 &end
#
#   26 GLY  HN           22 ALA  MB          5.50    (#   2288:25  Unique         4.58, 5.23 A
)
 &rst
  ixpk= 2288, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 352, 353, 354,
 &end
#
#    0 AMB  25-2:2289    22 ALA  MB          5.50    (#   2289:25  Single Ambig
)
 &rst
  ixpk= 2289, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 360, 415, 416,
 igr2= 352, 353, 354,
 &end
#
#   21 PHE  HB+          22 ALA  MB          5.50    (#   2290:25  Unique         4.08, 5.39 A
)
 &rst
  ixpk= 2290, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 332, 333,
 igr2= 352, 353, 354,
 &end
#
#   21 PHE  HB-          22 ALA  MB          5.50    (#   2291:25  Unique         4.08, 5.39 A
)
 &rst
  ixpk= 2291, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 332, 333,
 igr2= 352, 353, 354,
 &end
#
#  123 VAL  MGY          22 ALA  MB          3.50    (#   2292:25  Unique         2.32, 4.16 A
)
 &rst
  ixpk= 2292, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1863,1864,1865,1867,1868,1869,
 igr2= 352, 353, 354,
 &end
#
#   45 THR  MG2         109 LEU  HA          4.50    (#   2293:25  Unique         3.90, 4.47 A
)
 &rst
  ixpk= 2293, nxpk= 25, iat=  -1,1610, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 680, 681, 682,
 &end
#
#   32 VAL  MGY          23 LYS  HA          4.50    (#   2294:25  Unique         2.78, 4.74 A
)
 &rst
  ixpk= 2294, nxpk= 25, iat=  -1, 360, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   24 THR  HN           23 LYS  HA          4.50    (#   2296:25  Unique         3.66, 3.67 A
)
 &rst
  ixpk= 2296, nxpk= 25, iat= 380, 360, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 PHE  HN          109 LEU  HA          3.50    (#   2297:25  Unique         3.18, 3.26 A
)
 &rst
  ixpk= 2297, nxpk= 25, iat=1658,1610, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HN           44 PRO  HB-         4.50    (#   2298:25  Unique         3.25, 3.74 A
)
 &rst
  ixpk= 2298, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 667, 668,
 &end
#
#   42 VAL  HN           41 ARG  HB+         3.50    (#   2299:25  Unique         2.48, 3.40 A
)
 &rst
  ixpk= 2299, nxpk= 25, iat= 627,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 607, 608,
 &end
#
#   41 ARG  HN           41 ARG  HB+         5.50    (#   2300:25  Unique         2.27, 3.05 A
)
 &rst
  ixpk= 2300, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 607, 608,
 &end
#
#   24 THR  HN           23 LYS  HB+         4.50    (#   2301:25  Unique         3.89, 4.09 A
)
 &rst
  ixpk= 2301, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 362, 363,
 &end
#
#   24 THR  HN           23 LYS  HB-         4.50    (#   2302:25  Unique         3.89, 4.09 A
)
 &rst
  ixpk= 2302, nxpk= 25, iat= 380,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 362, 363,
 &end
#
#   23 LYS  HG-          23 LYS  HB+         3.50    (#   2303:25  Unique         2.37, 2.75 A
)
 &rst
  ixpk= 2303, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 365, 366,
 igr2= 362, 363,
 &end
#
#   23 LYS  HN           23 LYS  HG+         4.50    (#   2304:25  Unique         2.13, 2.96 A
)
 &rst
  ixpk= 2304, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 366,
 &end
#
#   23 LYS  HN           23 LYS  HG-         4.50    (#   2305:25  Unique         2.13, 2.96 A
)
 &rst
  ixpk= 2305, nxpk= 25, iat= 358,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 366,
 &end
#
#    0 AMB  25-2:2306     0 AMB  25-1:2306   4.50    (#   2306:25  Double Ambig
)
 &rst
  ixpk= 2306, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 382, 360,
 igr2= 365, 366, 365, 366,
 &end
#
#   20 GLY  HA+          23 LYS  HG+         5.50    (#   2307:25  Unique         2.46, 4.15 A
)
 &rst
  ixpk= 2307, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 323, 324,
 igr2= 365, 366,
 &end
#
#    0 AMB  25-2:2310     0 AMB  25-1:2310   2.80    (#   2310:25  Double Ambig
)
 &rst
  ixpk= 2310, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 371, 372, 158, 159, 450, 451,
 igr2= 368, 369, 155, 156, 447, 448,
 &end
#
#   45 THR  HN           44 PRO  HA          5.50    (#   2312:25  Unique         3.57, 3.62 A
)
 &rst
  ixpk= 2312, nxpk= 25, iat= 674, 670, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2313    44 PRO  HA          4.50    (#   2313:25  Single Ambig
)
 &rst
  ixpk= 2313, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 661, 662, 647, 648,
 &end
#
#   47 ILE  HG1-         44 PRO  HA          4.50    (#   2314:25  Unique         2.69, 3.99 A
)
 &rst
  ixpk= 2314, nxpk= 25, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 708, 709,
 &end
#
#   61 THR  MG2          61 THR  HB          2.80    (#   2315:25  Unique         2.40, 2.64 A
)
 &rst
  ixpk= 2315, nxpk= 25, iat=  -1, 903, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 905, 906, 907,
 &end
#
#    0 AMB  25-2:2316    24 THR  HB          4.50    (#   2316:25  Single Ambig
)
 &rst
  ixpk= 2316, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 824, 825, 403, 404, 405, 407, 408, 409,
 &end
#
#   25 LEU  HG           24 THR  HB          4.50    (#   2317:25  Unique         2.88, 2.92 A
)
 &rst
  ixpk= 2317, nxpk= 25, iat= 401, 384, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 LEU  HB-          24 THR  HB          4.50    (#   2318:25  Unique         4.58, 5.09 A
)
 &rst
  ixpk= 2318, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 398, 399,
 &end
#
#    0 AMB  25-2:2320    24 THR  HB          5.50    (#   2320:25  Single Ambig
)
 &rst
  ixpk= 2320, nxpk= 25, iat=  -1, 384, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 413, 321,
 &end
#
#   61 THR  HN           61 THR  HB          5.50    (#   2321:25  Unique         3.63, 3.84 A
)
 &rst
  ixpk= 2321, nxpk= 25, iat= 899, 903, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2322     0 AMB  25-1:2322   3.50    (#   2322:25  Double Ambig
)
 &rst
  ixpk= 2322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 633, 634, 635, 637, 638, 639,1934,1935,1936, 711,
       712, 713,
 igr2= 645, 396,
 &end
#
#   27 ALA  HN           25 LEU  HA          5.50    (#   2323:25  Unique         5.07, 5.13 A
)
 &rst
  ixpk= 2323, nxpk= 25, iat= 420, 396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HN           25 LEU  HA          3.50    (#   2324:25  Unique         3.54, 3.55 A
)
 &rst
  ixpk= 2324, nxpk= 25, iat= 413, 396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HN           25 LEU  HB+         4.50    (#   2325:25  Unique         2.39, 2.98 A
)
 &rst
  ixpk= 2325, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 398, 399,
 &end
#
#   26 GLY  HN           25 LEU  HB-         4.50    (#   2326:25  Unique         2.39, 2.98 A
)
 &rst
  ixpk= 2326, nxpk= 25, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 398, 399,
 &end
#
#   22 ALA  HA           25 LEU  HB+         4.50    (#   2327:25  Unique         2.44, 3.31 A
)
 &rst
  ixpk= 2327, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 398, 399,
 &end
#
#   22 ALA  HA           25 LEU  HB-         4.50    (#   2328:25  Unique         2.44, 3.31 A
)
 &rst
  ixpk= 2328, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 398, 399,
 &end
#
#    0 AMB  25-2:2329    25 LEU  HG          4.50    (#   2329:25  Single Ambig
)
 &rst
  ixpk= 2329, nxpk= 25, iat=  -1, 401, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,1806,
      1807,
 &end
#
#   29 LYS  HN           26 GLY  HA-         5.50    (#   2331:25  Unique         3.84, 4.26 A
)
 &rst
  ixpk= 2331, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:2332    26 GLY  HA-         5.50    (#   2332:25  Single Ambig
)
 &rst
  ixpk= 2332, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 394, 358,
 igr2= 415, 416,
 &end
#
#   30 ILE  HN           26 GLY  HA+         5.50    (#   2333:25  Unique         3.86, 4.05 A
)
 &rst
  ixpk= 2333, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 415, 416,
 &end
#
#   30 ILE  HN           26 GLY  HA-         5.50    (#   2334:25  Unique         3.86, 4.05 A
)
 &rst
  ixpk= 2334, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 415, 416,
 &end
#
#   27 ALA  HN           26 GLY  HA+         3.50    (#   2335:25  Unique         3.12, 3.40 A
)
 &rst
  ixpk= 2335, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 415, 416,
 &end
#
#   27 ALA  HN           26 GLY  HA-         4.50    (#   2336:25  Unique         3.12, 3.40 A
)
 &rst
  ixpk= 2336, nxpk= 25, iat= 420,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 415, 416,
 &end
#
#    0 AMB  25-2:2337     0 AMB  25-1:2337   5.50    (#   2337:25  Double Ambig
)
 &rst
  ixpk= 2337, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 441, 442,1925,
 igr2= 415, 416, 415, 416,
 &end
#
#    0 AMB  25-2:2338    26 GLY  HA-         5.50    (#   2338:25  Single Ambig
)
 &rst
  ixpk= 2338, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 441, 442,1925, 401,
 igr2= 415, 416,
 &end
#
#   29 LYS  HD+          26 GLY  HA-         3.50    (#   2339:25  Unique         2.19, 3.08 A
)
 &rst
  ixpk= 2339, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 447, 448,
 igr2= 415, 416,
 &end
#
#   30 ILE  HG1-         26 GLY  HA-         3.50    (#   2340:25  Unique         2.08, 3.18 A
)
 &rst
  ixpk= 2340, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 469, 470,
 igr2= 415, 416,
 &end
#
#   30 ILE  HG1-         26 GLY  HA+         3.50    (#   2341:25  Unique         2.08, 3.18 A
)
 &rst
  ixpk= 2341, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 469, 470,
 igr2= 415, 416,
 &end
#
#   29 LYS  HN           27 ALA  HA          3.50    (#   2342:25  Unique         3.52, 3.56 A
)
 &rst
  ixpk= 2342, nxpk= 25, iat= 437, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HN           27 ALA  HA          5.50    (#   2343:25  Unique         4.90, 4.94 A
)
 &rst
  ixpk= 2343, nxpk= 25, iat= 413, 422, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 GLY  HN           28 GLY  HA+         4.50    (#   2344:25  Unique         2.49, 2.76 A
)
 &rst
  ixpk= 2344, nxpk= 25, iat= 430,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 432, 433,
 &end
#
#   28 GLY  HN           28 GLY  HA-         3.50    (#   2345:25  Unique         2.49, 2.76 A
)
 &rst
  ixpk= 2345, nxpk= 25, iat= 430,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 432, 433,
 &end
#
#   29 LYS  HN           28 GLY  HA+         3.50    (#   2346:25  Unique         2.83, 3.29 A
)
 &rst
  ixpk= 2346, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 432, 433,
 &end
#
#   29 LYS  HN           28 GLY  HA-         4.50    (#   2347:25  Unique         2.83, 3.29 A
)
 &rst
  ixpk= 2347, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 432, 433,
 &end
#
#  107 GLN  HN          106 GLY  HA+         4.50    (#   2348:25  Unique         2.91, 3.34 A
)
 &rst
  ixpk= 2348, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1575,1576,
 &end
#
#    0 AMB  25-2:2350    28 GLY  HA-         5.50    (#   2350:25  Single Ambig
)
 &rst
  ixpk= 2350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=  15,  16,  17, 441, 442,
 igr2= 432, 433,
 &end
#
#   27 ALA  MB           28 GLY  HA+         4.50    (#   2351:25  Unique         4.68, 5.41 A
)
 &rst
  ixpk= 2351, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 424, 425, 426,
 igr2= 432, 433,
 &end
#
#   27 ALA  MB           28 GLY  HA-         5.50    (#   2352:25  Unique         4.68, 5.41 A
)
 &rst
  ixpk= 2352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 424, 425, 426,
 igr2= 432, 433,
 &end
#
#   30 ILE  QG2          29 LYS  HA          4.50    (#   2353:25  Unique         4.73, 5.51 A
)
 &rst
  ixpk= 2353, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 465, 466, 467,
 &end
#
#    1 MET  HG-          29 LYS  HA          4.50    (#   2354:25  Unique         3.86, 5.02 A
)
 &rst
  ixpk= 2354, nxpk= 25, iat=  -1, 439, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#   30 ILE  HN           29 LYS  HB+         4.50    (#   2355:25  Unique         4.05, 4.25 A
)
 &rst
  ixpk= 2355, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 441, 442,
 &end
#
#   30 ILE  HN           29 LYS  HB-         4.50    (#   2356:25  Unique         4.05, 4.25 A
)
 &rst
  ixpk= 2356, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 441, 442,
 &end
#
#   26 GLY  HA+          29 LYS  HB-         5.50    (#   2357:25  Unique         5.23, 6.01 A
)
 &rst
  ixpk= 2357, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 415, 416,
 igr2= 441, 442,
 &end
#
#   29 LYS  HG+          29 LYS  HB+         2.80    (#   2358:25  Unique         2.26, 2.61 A
)
 &rst
  ixpk= 2358, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 444, 445,
 igr2= 441, 442,
 &end
#
#   29 LYS  HG+          29 LYS  HB-         2.80    (#   2359:25  Unique         2.26, 2.61 A
)
 &rst
  ixpk= 2359, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 444, 445,
 igr2= 441, 442,
 &end
#
#   30 ILE  QG2          29 LYS  HB-         3.50    (#   2360:25  Unique         3.83, 5.37 A
)
 &rst
  ixpk= 2360, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 465, 466, 467,
 igr2= 441, 442,
 &end
#
#   77 ILE  QD1          97 GLU  HB+         3.50    (#   2361:25  Unique         2.13, 3.71 A
)
 &rst
  ixpk= 2361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1144,1145,1146,
 igr2=1437,1438,
 &end
#
#   29 LYS  HE+          29 LYS  HG+         3.50    (#   2362:25  Unique         2.18, 3.64 A
)
 &rst
  ixpk= 2362, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 450, 451,
 igr2= 444, 445,
 &end
#
#   29 LYS  HB+          29 LYS  HG+         2.80    (#   2363:25  Unique         2.26, 2.61 A
)
 &rst
  ixpk= 2363, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 441, 442,
 igr2= 444, 445,
 &end
#
#   29 LYS  HA           29 LYS  HD+         4.50    (#   2365:25  Unique         4.14, 4.73 A
)
 &rst
  ixpk= 2365, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 447, 448,
 &end
#
#   29 LYS  HA           29 LYS  HD-         4.50    (#   2366:25  Unique         4.14, 4.73 A
)
 &rst
  ixpk= 2366, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 447, 448,
 &end
#
#    0 AMB  25-2:2367    30 ILE  HA          4.50    (#   2367:25  Single Ambig
)
 &rst
  ixpk= 2367, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  50,  51,  31,  32,
 &end
#
#   30 ILE  HG1+         30 ILE  HA          4.50    (#   2368:25  Unique         3.61, 3.83 A
)
 &rst
  ixpk= 2368, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 469, 470,
 &end
#
#    0 AMB  25-2:2369    30 ILE  HA          4.50    (#   2369:25  Single Ambig
)
 &rst
  ixpk= 2369, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=  71,  72,  73,  75,  76,  77,1985,1986,1987,
 &end
#
#   30 ILE  HN           30 ILE  HB          4.50    (#   2370:25  Unique         3.84, 3.89 A
)
 &rst
  ixpk= 2370, nxpk= 25, iat= 459, 463, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 VAL  HN           30 ILE  HB          5.50    (#   2371:25  Unique         3.34, 3.51 A
)
 &rst
  ixpk= 2371, nxpk= 25, iat=  65, 463, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 ARG  HN          122 ARG  HD-         4.50    (#   2372:25  Unique         2.42, 3.99 A
)
 &rst
  ixpk= 2372, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1843,1844,
 &end
#
#   26 GLY  HA+          30 ILE  HG1+        5.50    (#   2373:25  Unique         2.08, 3.18 A
)
 &rst
  ixpk= 2373, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 415, 416,
 igr2= 469, 470,
 &end
#
#   26 GLY  HA-          30 ILE  HG1+        3.50    (#   2374:25  Unique         2.08, 3.18 A
)
 &rst
  ixpk= 2374, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 415, 416,
 igr2= 469, 470,
 &end
#
#    0 AMB  25-2:2375     0 AMB  25-1:2375   2.80    (#   2375:25  Double Ambig
)
 &rst
  ixpk= 2375, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1= 447, 448,  47,  48, 607, 608, 463,
 igr2= 469, 470,  50,  51, 610, 611,
 &end
#
#    0 AMB  25-2:2376     0 AMB  25-1:2376   4.50    (#   2376:25  Double Ambig
)
 &rst
  ixpk= 2376, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 394, 358, 504,
 igr2=1934,1935,1936, 472, 473, 474,
 &end
#
#  127 ILE  HN           30 ILE  QD1         4.50    (#   2377:25  Unique         5.17, 5.77 A
)
 &rst
  ixpk= 2377, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 472, 473, 474,
 &end
#
#    0 AMB  25-2:2378     0 AMB  25-1:2378   4.50    (#   2378:25  Double Ambig
)
 &rst
  ixpk= 2378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 459,1972,
 igr2= 472, 473, 474,1934,1935,1936,
 &end
#
#    6 PHE  HE            0 AMB  25-1:2379   5.50    (#   2379:25  Single Ambig
)
 &rst
  ixpk= 2379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 108, 112,
 igr2= 472, 473, 474,1934,1935,1936,
 &end
#
#    2 LYS  HN           30 ILE  QG2         4.50    (#   2381:25  Unique         2.46, 3.95 A
)
 &rst
  ixpk= 2381, nxpk= 25, iat=  21,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 465, 466, 467,
 &end
#
#   29 LYS  HA           30 ILE  QG2         5.50    (#   2382:25  Unique         4.73, 5.51 A
)
 &rst
  ixpk= 2382, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 465, 466, 467,
 &end
#
#    0 AMB  25-2:2383    31 ALA  HA          5.50    (#   2383:25  Single Ambig
)
 &rst
  ixpk= 2383, nxpk= 25, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 494, 495, 496, 498, 499, 500, 469, 470,
 &end
#
#    0 AMB  25-2:2384    31 ALA  HA          4.50    (#   2384:25  Single Ambig
)
 &rst
  ixpk= 2384, nxpk= 25, iat=  -1, 480, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 463,  69,  47,  48,   8,   9,
 &end
#
#   32 VAL  HB           31 ALA  HA          4.50    (#   2385:25  Unique         4.30, 4.43 A
)
 &rst
  ixpk= 2385, nxpk= 25, iat= 492, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 VAL  HA           31 ALA  HA          4.50    (#   2386:25  Unique         4.46, 4.48 A
)
 &rst
  ixpk= 2386, nxpk= 25, iat= 490, 480, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 LYS  HE+          31 ALA  MB          4.50    (#   2387:25  Unique         2.84, 3.83 A
)
 &rst
  ixpk= 2387, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  56,  57,
 igr2= 482, 483, 484,
 &end
#
#    1 MET  HG-          31 ALA  MB          4.50    (#   2388:25  Unique         3.20, 4.66 A
)
 &rst
  ixpk= 2388, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  11,  12,
 igr2= 482, 483, 484,
 &end
#
#    1 MET  ME           31 ALA  MB          3.50    (#   2389:25  Unique         3.24, 5.40 A
)
 &rst
  ixpk= 2389, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  15,  16,  17,
 igr2= 482, 483, 484,
 &end
#
#    0 AMB  25-2:2390    31 ALA  MB          3.50    (#   2390:25  Single Ambig
)
 &rst
  ixpk= 2390, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=  47,  48,   8,   9, 463,
 igr2= 482, 483, 484,
 &end
#
#    4 VAL  MGY          32 VAL  HA          4.50    (#   2391:25  Unique         2.17, 4.46 A
)
 &rst
  ixpk= 2391, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGX          32 VAL  HA          4.50    (#   2392:25  Unique         2.17, 4.46 A
)
 &rst
  ixpk= 2392, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   31 ALA  MB           32 VAL  HA          4.50    (#   2393:25  Unique         4.58, 5.23 A
)
 &rst
  ixpk= 2393, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 482, 483, 484,
 &end
#
#    0 AMB  25-2:2394    32 VAL  HA          5.50    (#   2394:25  Single Ambig
)
 &rst
  ixpk= 2394, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  50,  51,  85,  86,
 &end
#
#    0 AMB  25-2:2395    32 VAL  HA          4.50    (#   2395:25  Single Ambig
)
 &rst
  ixpk= 2395, nxpk= 25, iat=  -1, 490, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  83, 480,  67,
 &end
#
#   22 ALA  HA           32 VAL  MGY         5.50    (#   2396:25  Unique         4.76, 5.98 A
)
 &rst
  ixpk= 2396, nxpk= 25, iat= 350,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  25-2:2397    57 ILE  HA          4.50    (#   2397:25  Single Ambig
)
 &rst
  ixpk= 2397, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 708, 709, 858, 859, 860,
 &end
#
#   47 ILE  QG2          57 ILE  HA          5.50    (#   2398:25  Unique         4.80, 5.88 A
)
 &rst
  ixpk= 2398, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 704, 705, 706,
 &end
#
#   32 VAL  HA           33 THR  HA          4.50    (#   2399:25  Unique         4.34, 4.38 A
)
 &rst
  ixpk= 2399, nxpk= 25, iat= 490, 506, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN           33 THR  HB          5.50    (#   2400:25  Unique         4.07, 4.42 A
)
 &rst
  ixpk= 2400, nxpk= 25, iat=  98, 508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 VAL  HA           33 THR  HB          5.50    (#   2402:25  Unique         4.55, 4.65 A
)
 &rst
  ixpk= 2402, nxpk= 25, iat= 490, 508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 MET  HA           33 THR  HB          4.50    (#   2403:25  Unique         2.92, 3.33 A
)
 &rst
  ixpk= 2403, nxpk= 25, iat=  83, 508, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2404    33 THR  HB          5.50    (#   2404:25  Single Ambig
)
 &rst
  ixpk= 2404, nxpk= 25, iat=  -1, 508, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  88,  89,  85,  86,
 &end
#
#    0 AMB  25-2:2405     0 AMB  25-1:2405   5.50    (#   2405:25  Double Ambig
)
 &rst
  ixpk= 2405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 952,1610,
 igr2= 510, 511, 512,1648,1649,1650,1652,1653,1654,
 &end
#
#  112 PHE  HN          111 VAL  MGY         4.50    (#   2406:25  Unique         3.41, 4.47 A
)
 &rst
  ixpk= 2406, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#   33 THR  HN           33 THR  MG2         4.50    (#   2407:25  Unique         4.42, 4.76 A
)
 &rst
  ixpk= 2407, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 510, 511, 512,
 &end
#
#   33 THR  MG2          34 SER  HA          4.50    (#   2408:25  Unique         3.95, 5.06 A
)
 &rst
  ixpk= 2408, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 510, 511, 512,
 &end
#
#    5 MET  HG+          34 SER  HA          4.50    (#   2409:25  Unique         3.47, 4.66 A
)
 &rst
  ixpk= 2409, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  88,  89,
 &end
#
#   19 GLU  HB+          34 SER  HA          5.50    (#   2410:25  Unique         3.65, 4.77 A
)
 &rst
  ixpk= 2410, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 310, 311,
 &end
#
#    6 PHE  HB+          34 SER  HA          3.50    (#   2412:25  Unique         2.33, 3.27 A
)
 &rst
  ixpk= 2412, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#   33 THR  HA           34 SER  HA          5.50    (#   2413:25  Unique         4.39, 4.45 A
)
 &rst
  ixpk= 2413, nxpk= 25, iat= 506, 520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 MET  HA           34 SER  HA          4.50    (#   2415:25  Unique         3.76, 4.21 A
)
 &rst
  ixpk= 2415, nxpk= 25, iat=  83, 520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 CYS  HA           34 SER  HA          4.50    (#   2416:25  Unique         4.46, 4.52 A
)
 &rst
  ixpk= 2416, nxpk= 25, iat= 531, 520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HD           34 SER  HA          4.50    (#   2417:25  Unique         3.45, 4.86 A
)
 &rst
  ixpk= 2417, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#   11 ASN  HD2+         34 SER  HA          5.50    (#   2418:25  Unique         4.19, 5.08 A
)
 &rst
  ixpk= 2418, nxpk= 25, iat=  -1, 520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 200, 201,
 &end
#
#    0 AMB  25-2:2419     0 AMB  25-1:2419   4.50    (#   2419:25  Double Ambig
)
 &rst
  ixpk= 2419, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 529,1780,
 igr2= 522, 523,1718,
 &end
#
#  115 VAL  HN          111 VAL  HA          4.50    (#   2420:25  Unique         3.75, 3.89 A
)
 &rst
  ixpk= 2420, nxpk= 25, iat=1716,1644, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 CYS  HN           34 SER  HB-         4.50    (#   2421:25  Unique         2.38, 3.49 A
)
 &rst
  ixpk= 2421, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 523,
 &end
#
#   11 ASN  HD2+         34 SER  HB-         4.50    (#   2422:25  Unique         2.60, 4.65 A
)
 &rst
  ixpk= 2422, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 200, 201,
 igr2= 522, 523,
 &end
#
#    6 PHE  HD           34 SER  HB-         5.50    (#   2423:25  Unique         2.92, 5.38 A
)
 &rst
  ixpk= 2423, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 114,
 igr2= 522, 523,
 &end
#
#   34 SER  HA           34 SER  HB+         3.50    (#   2424:25  Unique         2.31, 2.47 A
)
 &rst
  ixpk= 2424, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 522, 523,
 &end
#
#   34 SER  HA           34 SER  HB-         3.50    (#   2425:25  Unique         2.31, 2.47 A
)
 &rst
  ixpk= 2425, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 522, 523,
 &end
#
#   11 ASN  HD2+         34 SER  HB+         5.50    (#   2426:25  Unique         2.60, 4.65 A
)
 &rst
  ixpk= 2426, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 200, 201,
 igr2= 522, 523,
 &end
#
#    6 PHE  HB+          34 SER  HB-         4.50    (#   2429:25  Unique         2.42, 3.75 A
)
 &rst
  ixpk= 2429, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 102, 103,
 igr2= 522, 523,
 &end
#
#   19 GLU  HB+          34 SER  HB-         4.50    (#   2430:25  Unique         2.04, 3.32 A
)
 &rst
  ixpk= 2430, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 310, 311,
 igr2= 522, 523,
 &end
#
#   63 ASP  HB+          35 CYS  HA          4.50    (#   2431:25  Unique         2.97, 4.20 A
)
 &rst
  ixpk= 2431, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 928, 929,
 &end
#
#   36 GLY  HA-          35 CYS  HA          4.50    (#   2432:25  Unique         4.42, 4.53 A
)
 &rst
  ixpk= 2432, nxpk= 25, iat=  -1, 531, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 542, 543,
 &end
#
#   68 PHE  HE           35 CYS  HB+         5.50    (#   2435:25  Unique         3.02, 6.39 A
)
 &rst
  ixpk= 2435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1008,1012,
 igr2= 533, 534,
 &end
#
#   35 CYS  HA           35 CYS  HB-         4.50    (#   2436:25  Unique         2.38, 2.63 A
)
 &rst
  ixpk= 2436, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 533, 534,
 &end
#
#    0 AMB  25-2:2437     0 AMB  25-1:2437   4.50    (#   2437:25  Double Ambig
)
 &rst
  ixpk= 2437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 124, 125, 126, 128, 129, 130,  92,  93,  94,
 igr2= 533, 534, 533, 534,
 &end
#
#   36 GLY  HN           36 GLY  HA+         3.50    (#   2438:25  Unique         2.54, 2.81 A
)
 &rst
  ixpk= 2438, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#    8 CYS  HN           36 GLY  HA+         3.50    (#   2439:25  Unique         2.01, 2.74 A
)
 &rst
  ixpk= 2439, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#   38 GLU  HN           36 GLY  HA+         4.50    (#   2440:25  Unique         2.94, 3.65 A
)
 &rst
  ixpk= 2440, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 542, 543,
 &end
#
#    0 AMB  25-2:2441     0 AMB  25-1:2441   3.50    (#   2441:25  Double Ambig
)
 &rst
  ixpk= 2441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 120, 169,
 igr2= 542, 543, 542, 543,
 &end
#
#    0 AMB  25-2:2442     0 AMB  25-1:2442   5.50    (#   2442:25  Double Ambig
)
 &rst
  ixpk= 2442, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 549, 147,
 igr2= 542, 543, 542, 543,
 &end
#
#   11 ASN  HB+          36 GLY  HA+         5.50    (#   2443:25  Unique         2.15, 3.82 A
)
 &rst
  ixpk= 2443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 195, 196,
 igr2= 542, 543,
 &end
#
#   11 ASN  HB-          36 GLY  HA+         4.50    (#   2444:25  Unique         2.15, 3.82 A
)
 &rst
  ixpk= 2444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 195, 196,
 igr2= 542, 543,
 &end
#
#   37 LEU  HG           36 GLY  HA+         5.50    (#   2445:25  Unique         3.76, 4.65 A
)
 &rst
  ixpk= 2445, nxpk= 25, iat= 554,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 542, 543,
 &end
#
#    7 VAL  MGY          36 GLY  HA+         5.50    (#   2446:25  Unique         2.48, 5.45 A
)
 &rst
  ixpk= 2446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 542, 543,
 &end
#
#    7 VAL  MGY          36 GLY  HA-         5.50    (#   2447:25  Unique         2.48, 5.45 A
)
 &rst
  ixpk= 2447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 542, 543,
 &end
#
#   38 GLU  HN           36 GLY  HA-         4.50    (#   2448:25  Unique         2.94, 3.65 A
)
 &rst
  ixpk= 2448, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 542, 543,
 &end
#
#    8 CYS  HN           36 GLY  HA-         4.50    (#   2449:25  Unique         2.01, 2.74 A
)
 &rst
  ixpk= 2449, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 542, 543,
 &end
#
#   36 GLY  HN           36 GLY  HA-         3.50    (#   2450:25  Unique         2.54, 2.81 A
)
 &rst
  ixpk= 2450, nxpk= 25, iat= 540,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 542, 543,
 &end
#
#   35 CYS  HN           36 GLY  HA-         4.50    (#   2451:25  Unique         4.37, 4.75 A
)
 &rst
  ixpk= 2451, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 542, 543,
 &end
#
#   36 GLY  HA+          37 LEU  HA          5.50    (#   2453:25  Unique         4.12, 4.54 A
)
 &rst
  ixpk= 2453, nxpk= 25, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#   65 ILE  HB           37 LEU  HA          4.50    (#   2454:25  Unique         2.75, 3.47 A
)
 &rst
  ixpk= 2454, nxpk= 25, iat= 954, 549, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 ILE  QD1          37 LEU  HA          5.50    (#   2455:25  Unique         2.93, 4.29 A
)
 &rst
  ixpk= 2455, nxpk= 25, iat=  -1, 549, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 963, 964, 965,
 &end
#
#   37 LEU  MDY          37 LEU  HB+         3.50    (#   2456:25  Unique         2.38, 3.33 A
)
 &rst
  ixpk= 2456, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 556, 557, 558, 560, 561, 562,
 igr2= 551, 552,
 &end
#
#   37 LEU  HN           37 LEU  HB+         3.50    (#   2457:25  Unique         2.38, 3.04 A
)
 &rst
  ixpk= 2457, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   37 LEU  HN           37 LEU  HB-         3.50    (#   2458:25  Unique         2.38, 3.04 A
)
 &rst
  ixpk= 2458, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 551, 552,
 &end
#
#   38 GLU  HN           37 LEU  HB+         4.50    (#   2459:25  Unique         2.88, 3.37 A
)
 &rst
  ixpk= 2459, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 551, 552,
 &end
#
#   38 GLU  HN           37 LEU  HB-         5.50    (#   2460:25  Unique         2.88, 3.37 A
)
 &rst
  ixpk= 2460, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 551, 552,
 &end
#
#   78 SER  HB-          86 LEU  HG          3.50    (#   2461:25  Unique         2.25, 3.65 A
)
 &rst
  ixpk= 2461, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#   37 LEU  MDX          37 LEU  HG          2.80    (#   2462:25  Unique         2.41, 2.66 A
)
 &rst
  ixpk= 2462, nxpk= 25, iat=  -1, 554, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:2463     0 AMB  25-1:2463   2.80    (#   2463:25  Double Ambig
)
 &rst
  ixpk= 2463, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1255,1256,1257,1259,1260,1261, 556, 557, 558, 560,
       561, 562,1222,1223,1224,1226,1227,1228,
 igr2=1253, 554,
 &end
#
#   37 LEU  HN           37 LEU  MDX         4.50    (#   2464:25  Unique         2.16, 4.35 A
)
 &rst
  ixpk= 2464, nxpk= 25, iat= 547,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   38 GLU  HN           37 LEU  MDX         5.50    (#   2465:25  Unique         4.66, 5.88 A
)
 &rst
  ixpk= 2465, nxpk= 25, iat= 566,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#    0 AMB  25-2:2466    38 GLU  HA          5.50    (#   2466:25  Single Ambig
)
 &rst
  ixpk= 2466, nxpk= 25, iat=  -1, 568, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 551, 552, 554,
 &end
#
#   70 ALA  MB           93 GLN  HG+         5.50    (#   2467:25  Unique         2.17, 3.60 A
)
 &rst
  ixpk= 2467, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1036,1037,1038,
 igr2=1369,1370,
 &end
#
#   70 ALA  MB           93 GLN  HG-         5.50    (#   2468:25  Unique         2.17, 3.60 A
)
 &rst
  ixpk= 2468, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1036,1037,1038,
 igr2=1369,1370,
 &end
#
#   93 GLN  HE2+         93 GLN  HG-         3.50    (#   2469:25  Unique         2.21, 3.24 A
)
 &rst
  ixpk= 2469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#   11 ASN  HB+          39 SER  HA          4.50    (#   2472:25  Unique         2.24, 3.34 A
)
 &rst
  ixpk= 2472, nxpk= 25, iat=  -1, 583, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 195, 196,
 &end
#
#    0 AMB  25-2:2473    39 SER  HA          4.50    (#   2473:25  Single Ambig
)
 &rst
  ixpk= 2473, nxpk= 25, iat=  -1, 583, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 596, 597, 937, 938,
 &end
#
#   64 PRO  HA           39 SER  HA          4.50    (#   2474:25  Unique         3.32, 3.98 A
)
 &rst
  ixpk= 2474, nxpk= 25, iat= 946, 583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 ARG  HA           39 SER  HA          4.50    (#   2475:25  Unique         3.25, 4.04 A
)
 &rst
  ixpk= 2475, nxpk= 25, iat= 169, 583, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 SER  HN           39 SER  HB-         4.50    (#   2476:25  Unique         2.54, 3.28 A
)
 &rst
  ixpk= 2476, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 585, 586,
 &end
#
#   39 SER  HN           39 SER  HB-         4.50    (#   2477:25  Unique         2.63, 3.29 A
)
 &rst
  ixpk= 2477, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 585, 586,
 &end
#
#   39 SER  HN           39 SER  HB+         4.50    (#   2478:25  Unique         2.63, 3.29 A
)
 &rst
  ixpk= 2478, nxpk= 25, iat= 581,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 585, 586,
 &end
#
#   63 ASP  HA           39 SER  HB-         5.50    (#   2479:25  Unique         3.53, 4.11 A
)
 &rst
  ixpk= 2479, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 585, 586,
 &end
#
#   64 PRO  HA           39 SER  HB+         5.50    (#   2480:25  Unique         2.27, 3.57 A
)
 &rst
  ixpk= 2480, nxpk= 25, iat= 946,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 585, 586,
 &end
#
#   64 PRO  HB-          39 SER  HB+         4.50    (#   2482:25  Unique         2.23, 4.26 A
)
 &rst
  ixpk= 2482, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 585, 586,
 &end
#
#   64 PRO  HB-          39 SER  HB-         4.50    (#   2483:25  Unique         2.23, 4.26 A
)
 &rst
  ixpk= 2483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 585, 586,
 &end
#
#   40 SER  HN           40 SER  HB+         4.50    (#   2485:25  Unique         2.66, 3.35 A
)
 &rst
  ixpk= 2485, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 596, 597,
 &end
#
#    0 AMB  25-2:2486     0 AMB  25-1:2486   5.50    (#   2486:25  Double Ambig
)
 &rst
  ixpk= 2486, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 177, 178, 917, 918, 585, 586,
 igr2= 596, 597, 596, 597, 596, 597,
 &end
#
#   10 ARG  HB-          40 SER  HB+         3.50    (#   2487:25  Unique         2.48, 4.48 A
)
 &rst
  ixpk= 2487, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 171, 172,
 igr2= 596, 597,
 &end
#
#    0 AMB  25-2:2488     0 AMB  25-1:2488   4.50    (#   2488:25  Double Ambig
)
 &rst
  ixpk= 2488, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 610, 611, 174, 175,
 igr2= 596, 597, 596, 597,
 &end
#
#   41 ARG  HN           41 ARG  HB-         5.50    (#   2494:25  Unique         2.27, 3.05 A
)
 &rst
  ixpk= 2494, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 607, 608,
 &end
#
#   41 ARG  HN           41 ARG  HG-         5.50    (#   2495:25  Unique         2.25, 3.02 A
)
 &rst
  ixpk= 2495, nxpk= 25, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 610, 611,
 &end
#
#    3 LYS  HE+           3 LYS  HG+         4.50    (#   2496:25  Unique         2.36, 2.84 A
)
 &rst
  ixpk= 2496, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  56,  57,
 igr2=  50,  51,
 &end
#
#   16 GLN  HG+          42 VAL  HA          4.50    (#   2498:25  Unique         2.55, 3.71 A
)
 &rst
  ixpk= 2498, nxpk= 25, iat=  -1, 629, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 269, 270,
 &end
#
#   86 LEU  HG           78 SER  HB-         4.50    (#   2499:25  Unique         2.25, 3.65 A
)
 &rst
  ixpk= 2499, nxpk= 25, iat=1253,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   62 SER  HA           42 VAL  MGY         5.50    (#   2500:25  Unique         3.50, 5.76 A
)
 &rst
  ixpk= 2500, nxpk= 25, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   12 SER  HA           42 VAL  MGY         4.50    (#   2501:25  Unique         2.81, 4.75 A
)
 &rst
  ixpk= 2501, nxpk= 25, iat= 207,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   60 GLN  HN           42 VAL  MGY         5.50    (#   2502:25  Unique         3.86, 6.00 A
)
 &rst
  ixpk= 2502, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   43 HIS  HN           43 HIS  HA          3.50    (#   2503:25  Unique         2.82, 2.85 A
)
 &rst
  ixpk= 2503, nxpk= 25, iat= 643, 645, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  MB           43 HIS  HB-         4.50    (#   2504:25  Unique         2.46, 4.34 A
)
 &rst
  ixpk= 2504, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 692, 693, 694,
 igr2= 647, 648,
 &end
#
#   43 HIS  HA           43 HIS  HB-         4.50    (#   2505:25  Unique         2.55, 2.82 A
)
 &rst
  ixpk= 2505, nxpk= 25, iat= 645,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 647, 648,
 &end
#
#   43 HIS  HD2          43 HIS  HB+         5.50    (#   2508:25  Unique         2.70, 3.34 A
)
 &rst
  ixpk= 2508, nxpk= 25, iat= 656,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 647, 648,
 &end
#
#   27 ALA  HN           24 THR  HA          4.50    (#   2509:25  Unique         4.26, 4.31 A
)
 &rst
  ixpk= 2509, nxpk= 25, iat= 420, 382, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 PRO  HD+          44 PRO  HB+         3.50    (#   2510:25  Unique         3.00, 3.75 A
)
 &rst
  ixpk= 2510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#   44 PRO  HD-          44 PRO  HB+         3.50    (#   2511:25  Unique         3.00, 3.75 A
)
 &rst
  ixpk= 2511, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#   44 PRO  HD-          44 PRO  HB-         3.50    (#   2512:25  Unique         3.00, 3.75 A
)
 &rst
  ixpk= 2512, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 661, 662,
 igr2= 667, 668,
 &end
#
#   64 PRO  HA           64 PRO  HB-         3.50    (#   2513:25  Unique         2.29, 2.52 A
)
 &rst
  ixpk= 2513, nxpk= 25, iat= 946,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 943, 944,
 &end
#
#   66 GLU  HN           64 PRO  HB+         3.50    (#   2514:25  Unique         2.14, 3.16 A
)
 &rst
  ixpk= 2514, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 943, 944,
 &end
#
#   67 ASN  HN           64 PRO  HB+         5.50    (#   2515:25  Unique         3.53, 4.54 A
)
 &rst
  ixpk= 2515, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 943, 944,
 &end
#
#   64 PRO  HD+          64 PRO  HB+         3.50    (#   2516:25  Unique         2.86, 3.70 A
)
 &rst
  ixpk= 2516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 937, 938,
 igr2= 943, 944,
 &end
#
#   45 THR  HN           44 PRO  HB+         5.50    (#   2517:25  Unique         3.25, 3.74 A
)
 &rst
  ixpk= 2517, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 667, 668,
 &end
#
#   45 THR  HN           44 PRO  HG+         5.50    (#   2518:25  Unique         2.23, 3.09 A
)
 &rst
  ixpk= 2518, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 664, 665,
 &end
#
#   45 THR  HN           44 PRO  HG-         5.50    (#   2519:25  Unique         2.23, 3.09 A
)
 &rst
  ixpk= 2519, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 664, 665,
 &end
#
#   89 GLU  HN           88 PRO  HG-         4.50    (#   2520:25  Unique         3.44, 4.36 A
)
 &rst
  ixpk= 2520, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1283,1284,
 &end
#
#   89 GLU  HN           88 PRO  HG+         4.50    (#   2521:25  Unique         3.44, 4.36 A
)
 &rst
  ixpk= 2521, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1283,1284,
 &end
#
#   49 MET  HN           45 THR  HA          5.50    (#   2522:25  Unique         4.06, 4.37 A
)
 &rst
  ixpk= 2522, nxpk= 25, iat= 727, 676, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HN           45 THR  HA          4.50    (#   2523:25  Unique         3.43, 3.48 A
)
 &rst
  ixpk= 2523, nxpk= 25, iat= 688, 676, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2525    45 THR  HA          4.50    (#   2525:25  Single Ambig
)
 &rst
  ixpk= 2525, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 664, 665, 702, 738, 739, 740,
 &end
#
#    0 AMB  25-2:2526    45 THR  HA          5.50    (#   2526:25  Single Ambig
)
 &rst
  ixpk= 2526, nxpk= 25, iat=  -1, 676, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 711, 712, 713,1617,1618,1619,1621,1622,1623,
 &end
#
#   45 THR  HA           45 THR  HB          3.50    (#   2527:25  Unique         2.95, 3.04 A
)
 &rst
  ixpk= 2527, nxpk= 25, iat= 676, 678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HZ           45 THR  HB          4.50    (#   2528:25  Unique         2.40, 2.53 A
)
 &rst
  ixpk= 2528, nxpk= 25, iat=1670, 678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 ALA  HN           45 THR  HB          4.50    (#   2529:25  Unique         3.06, 3.23 A
)
 &rst
  ixpk= 2529, nxpk= 25, iat= 688, 678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 PHE  HE           45 THR  HB          3.50    (#   2530:25  Unique         2.94, 3.25 A
)
 &rst
  ixpk= 2530, nxpk= 25, iat=  -1, 678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1668,1672,
 &end
#
#   45 THR  HN           45 THR  MG2         5.50    (#   2531:25  Unique         3.93, 4.44 A
)
 &rst
  ixpk= 2531, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 680, 681, 682,
 &end
#
#   49 MET  HN           45 THR  MG2         5.50    (#   2532:25  Unique         4.16, 5.06 A
)
 &rst
  ixpk= 2532, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 680, 681, 682,
 &end
#
#  109 LEU  HA           45 THR  MG2         5.50    (#   2533:25  Unique         3.90, 4.47 A
)
 &rst
  ixpk= 2533, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 680, 681, 682,
 &end
#
#  112 PHE  HB-          45 THR  MG2         4.50    (#   2535:25  Unique         3.42, 4.44 A
)
 &rst
  ixpk= 2535, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1662,1663,
 igr2= 680, 681, 682,
 &end
#
#    0 AMB  25-2:2536    45 THR  MG2         5.50    (#   2536:25  Single Ambig
)
 &rst
  ixpk= 2536, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 731, 732,1584,1585,
 igr2= 680, 681, 682,
 &end
#
#    0 AMB  25-2:2537    45 THR  MG2         4.50    (#   2537:25  Single Ambig
)
 &rst
  ixpk= 2537, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1615, 692, 693, 694,
 igr2= 680, 681, 682,
 &end
#
#    0 AMB  25-2:2539     0 AMB  25-1:2539   4.50    (#   2539:25  Double Ambig
)
 &rst
  ixpk= 2539, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1931,1932, 494, 495, 496, 498, 499, 500,1551,1552,
      
 igr2= 350, 690,
 &end
#
#  123 VAL  MGY          22 ALA  HA          4.50    (#   2540:25  Unique         2.19, 3.82 A
)
 &rst
  ixpk= 2540, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#   21 PHE  HB-          22 ALA  HA          4.50    (#   2541:25  Unique         4.03, 4.24 A
)
 &rst
  ixpk= 2541, nxpk= 25, iat=  -1, 350, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#   43 HIS  HN           46 ALA  MB          4.50    (#   2542:25  Unique         3.48, 4.27 A
)
 &rst
  ixpk= 2542, nxpk= 25, iat= 643,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 692, 693, 694,
 &end
#
#   49 MET  HN           46 ALA  MB          5.50    (#   2543:25  Unique         5.31, 5.52 A
)
 &rst
  ixpk= 2543, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 692, 693, 694,
 &end
#
#   17 MET  HN           46 ALA  MB          5.50    (#   2544:25  Unique         4.30, 5.29 A
)
 &rst
  ixpk= 2544, nxpk= 25, iat= 279,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 692, 693, 694,
 &end
#
#  112 PHE  HZ           46 ALA  MB          4.50    (#   2545:25  Unique         4.82, 5.86 A
)
 &rst
  ixpk= 2545, nxpk= 25, iat=1670,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 692, 693, 694,
 &end
#
#   44 PRO  HA           46 ALA  MB          5.50    (#   2547:25  Unique         4.43, 5.41 A
)
 &rst
  ixpk= 2547, nxpk= 25, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 692, 693, 694,
 &end
#
#   45 THR  HB           46 ALA  MB          4.50    (#   2548:25  Unique         4.56, 5.52 A
)
 &rst
  ixpk= 2548, nxpk= 25, iat= 678,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 692, 693, 694,
 &end
#
#   17 MET  HG-          46 ALA  MB          3.50    (#   2549:25  Unique         2.29, 3.69 A
)
 &rst
  ixpk= 2549, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 286, 287,
 igr2= 692, 693, 694,
 &end
#
#    0 AMB  25-2:2550    47 ILE  HA          2.80    (#   2550:25  Single Ambig
)
 &rst
  ixpk= 2550, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 855, 856, 704, 705, 706,
 &end
#
#    0 AMB  25-2:2551    47 ILE  HA          3.50    (#   2551:25  Single Ambig
)
 &rst
  ixpk= 2551, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 849, 765, 766,
 &end
#
#    0 AMB  25-2:2552    47 ILE  HA          4.50    (#   2552:25  Single Ambig
)
 &rst
  ixpk= 2552, nxpk= 25, iat=  -1, 700, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 719, 670,
 &end
#
#   47 ILE  HN           47 ILE  HA          3.50    (#   2553:25  Unique         2.76, 2.78 A
)
 &rst
  ixpk= 2553, nxpk= 25, iat= 698, 700, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 ILE  HN           47 ILE  HA          4.50    (#   2554:25  Unique         2.64, 3.16 A
)
 &rst
  ixpk= 2554, nxpk= 25, iat= 845, 700, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 THR  HA           47 ILE  HB          5.50    (#   2555:25  Unique         4.28, 4.53 A
)
 &rst
  ixpk= 2555, nxpk= 25, iat= 676, 702, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 ILE  HA           47 ILE  HB          3.50    (#   2556:25  Unique         3.03, 3.04 A
)
 &rst
  ixpk= 2556, nxpk= 25, iat= 700, 702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  MB           47 ILE  HB          4.50    (#   2557:25  Unique         4.75, 5.75 A
)
 &rst
  ixpk= 2557, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 692, 693, 694,
 &end
#
#   48 ALA  MB           47 ILE  HB          4.50    (#   2558:25  Unique         3.91, 4.90 A
)
 &rst
  ixpk= 2558, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 721, 722, 723,
 &end
#
#   47 ILE  QG2          47 ILE  HB          2.80    (#   2559:25  Unique         2.40, 2.66 A
)
 &rst
  ixpk= 2559, nxpk= 25, iat=  -1, 702, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 704, 705, 706,
 &end
#
#   57 ILE  HG1-         47 ILE  HG1-        3.50    (#   2560:25  Unique         2.31, 4.19 A
)
 &rst
  ixpk= 2560, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 855, 856,
 igr2= 708, 709,
 &end
#
#   47 ILE  HB           47 ILE  HG1-        3.50    (#   2561:25  Unique         2.60, 2.85 A
)
 &rst
  ixpk= 2561, nxpk= 25, iat= 702,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 708, 709,
 &end
#
#   47 ILE  HA           47 ILE  HG1-        4.50    (#   2562:25  Unique         2.27, 2.95 A
)
 &rst
  ixpk= 2562, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 708, 709,
 &end
#
#   58 SER  HA           47 ILE  HG1-        5.50    (#   2563:25  Unique         3.20, 4.01 A
)
 &rst
  ixpk= 2563, nxpk= 25, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 708, 709,
 &end
#
#   47 ILE  HN           47 ILE  HG1-        4.50    (#   2564:25  Unique         1.88, 2.98 A
)
 &rst
  ixpk= 2564, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 708, 709,
 &end
#
#   47 ILE  HA           47 ILE  QD1         4.50    (#   2565:25  Unique         3.65, 4.54 A
)
 &rst
  ixpk= 2565, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 711, 712, 713,
 &end
#
#   47 ILE  HN           47 ILE  QD1         4.50    (#   2566:25  Unique         1.74, 3.39 A
)
 &rst
  ixpk= 2566, nxpk= 25, iat= 698,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 711, 712, 713,
 &end
#
#   44 PRO  HB+          47 ILE  QD1         4.50    (#   2567:25  Unique         3.33, 4.45 A
)
 &rst
  ixpk= 2567, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 667, 668,
 igr2= 711, 712, 713,
 &end
#
#   49 MET  HN           48 ALA  HA          3.50    (#   2568:25  Unique         3.51, 3.54 A
)
 &rst
  ixpk= 2568, nxpk= 25, iat= 727, 719, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 ALA  MB           71 ASP  HA          4.50    (#   2570:25  Unique         4.18, 5.06 A
)
 &rst
  ixpk= 2570, nxpk= 25, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   45 THR  MG2          48 ALA  MB          4.50    (#   2571:25  Unique         3.13, 4.78 A
)
 &rst
  ixpk= 2571, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 680, 681, 682,
 igr2= 721, 722, 723,
 &end
#
#    0 AMB  25-2:2572    48 ALA  MB          5.50    (#   2572:25  Single Ambig
)
 &rst
  ixpk= 2572, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 678,1662,1663, 700,
 igr2= 721, 722, 723,
 &end
#
#   50 MET  HN           49 MET  HA          4.50    (#   2574:25  Unique         3.53, 3.58 A
)
 &rst
  ixpk= 2574, nxpk= 25, iat= 744, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2575    49 MET  HA          5.50    (#   2575:25  Single Ambig
)
 &rst
  ixpk= 2575, nxpk= 25, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1685,1686, 721, 722, 723,
 &end
#
#  116 ARG  HD-          49 MET  HB+         3.50    (#   2576:25  Unique         2.17, 4.65 A
)
 &rst
  ixpk= 2576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1742,1743,
 igr2= 731, 732,
 &end
#
#  116 ARG  HD+          49 MET  HB+         5.50    (#   2577:25  Unique         2.17, 4.65 A
)
 &rst
  ixpk= 2577, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1742,1743,
 igr2= 731, 732,
 &end
#
#   46 ALA  HA           49 MET  HB-         3.50    (#   2578:25  Unique         2.32, 3.59 A
)
 &rst
  ixpk= 2578, nxpk= 25, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#   46 ALA  HA           49 MET  HB+         5.50    (#   2579:25  Unique         2.32, 3.59 A
)
 &rst
  ixpk= 2579, nxpk= 25, iat= 690,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 731, 732,
 &end
#
#   97 GLU  HA           97 GLU  HB-         3.50    (#   2580:25  Unique         2.57, 2.83 A
)
 &rst
  ixpk= 2580, nxpk= 25, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1437,1438,
 &end
#
#   49 MET  HA           49 MET  HB+         3.50    (#   2581:25  Unique         2.30, 2.78 A
)
 &rst
  ixpk= 2581, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#   49 MET  HA           49 MET  HB-         4.50    (#   2582:25  Unique         2.30, 2.78 A
)
 &rst
  ixpk= 2582, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 731, 732,
 &end
#
#   50 MET  HN           49 MET  HB+         5.50    (#   2583:25  Unique         2.60, 3.11 A
)
 &rst
  ixpk= 2583, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 731, 732,
 &end
#
#   49 MET  HN           49 MET  HB-         3.50    (#   2584:25  Unique         2.06, 2.96 A
)
 &rst
  ixpk= 2584, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 731, 732,
 &end
#
#   49 MET  HN           49 MET  HB+         4.50    (#   2585:25  Unique         2.06, 2.96 A
)
 &rst
  ixpk= 2585, nxpk= 25, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 731, 732,
 &end
#
#  112 PHE  HD           49 MET  HG+         5.50    (#   2586:25  Unique         2.14, 3.99 A
)
 &rst
  ixpk= 2586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1666,1674,
 igr2= 734, 735,
 &end
#
#   49 MET  HA           49 MET  HG+         4.50    (#   2587:25  Unique         2.85, 3.47 A
)
 &rst
  ixpk= 2587, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 734, 735,
 &end
#
#  112 PHE  HB+          49 MET  HG+         4.50    (#   2588:25  Unique         2.03, 3.33 A
)
 &rst
  ixpk= 2588, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1662,1663,
 igr2= 734, 735,
 &end
#
#    0 AMB  25-2:2589     0 AMB  25-1:2589   5.50    (#   2589:25  Double Ambig
)
 &rst
  ixpk= 2589, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.06, r4= 9.81,
 igr1= 721, 722, 723,1685,1686,
 igr2= 734, 735, 734, 735,
 &end
#
#    0 AMB  25-2:2590     0 AMB  25-1:2590   4.50    (#   2590:25  Double Ambig
)
 &rst
  ixpk= 2590, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 744, 814,
 igr2= 748, 749, 748, 749,
 &end
#
#  118 GLN  HA          118 GLN  HB-         2.80    (#   2591:25  Unique         2.48, 2.79 A
)
 &rst
  ixpk= 2591, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1767,1768,
 &end
#
#   57 ILE  QD1          50 MET  HB+         4.50    (#   2592:25  Unique         3.36, 4.96 A
)
 &rst
  ixpk= 2592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 858, 859, 860,
 igr2= 748, 749,
 &end
#
#   55 ILE  QG2          50 MET  HB-         4.50    (#   2593:25  Unique         2.65, 4.67 A
)
 &rst
  ixpk= 2593, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 820, 821, 822,
 igr2= 748, 749,
 &end
#
#   17 MET  HA           50 MET  HG+         3.50    (#   2594:25  Unique         3.53, 3.79 A
)
 &rst
  ixpk= 2594, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 751, 752,
 &end
#
#   52 GLU  HN           51 GLU  HA          4.50    (#   2596:25  Unique         3.50, 3.52 A
)
 &rst
  ixpk= 2596, nxpk= 25, iat= 776, 763, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 VAL  HN           51 GLU  HA          4.50    (#   2597:25  Unique         3.78, 3.87 A
)
 &rst
  ixpk= 2597, nxpk= 25, iat= 791, 763, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2598    51 GLU  HA          5.50    (#   2598:25  Single Ambig
)
 &rst
  ixpk= 2598, nxpk= 25, iat=  -1, 763, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 818, 797, 798, 799, 801, 802, 803,
 &end
#
#   52 GLU  HN           51 GLU  HB-         4.50    (#   2601:25  Unique         3.05, 3.42 A
)
 &rst
  ixpk= 2601, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 765, 766,
 &end
#
#   52 GLU  HN           51 GLU  HB+         3.50    (#   2602:25  Unique         3.05, 3.42 A
)
 &rst
  ixpk= 2602, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 765, 766,
 &end
#
#   47 ILE  QG2          51 GLU  HG+         3.50    (#   2604:25  Unique         2.51, 4.31 A
)
 &rst
  ixpk= 2604, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 704, 705, 706,
 igr2= 768, 769,
 &end
#
#   95 ILE  HG1-         94 GLU  HG-         4.50    (#   2605:25  Unique         2.64, 4.44 A
)
 &rst
  ixpk= 2605, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,
 igr2=1386,1387,
 &end
#
#   95 ILE  HG1-         94 GLU  HG+         4.50    (#   2606:25  Unique         2.64, 4.44 A
)
 &rst
  ixpk= 2606, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,
 igr2=1386,1387,
 &end
#
#    0 AMB  25-2:2608     0 AMB  25-1:2608   4.50    (#   2608:25  Double Ambig
)
 &rst
  ixpk= 2608, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1394, 807,
 igr2=1386,1387, 768, 769,
 &end
#
#   66 GLU  HN           66 GLU  HG+         3.50    (#   2609:25  Unique         1.92, 2.46 A
)
 &rst
  ixpk= 2609, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 976, 977,
 &end
#
#   66 GLU  HN           66 GLU  HG-         3.50    (#   2610:25  Unique         1.92, 2.46 A
)
 &rst
  ixpk= 2610, nxpk= 25, iat= 969,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 976, 977,
 &end
#
#   54 GLY  HN           52 GLU  HA          4.50    (#   2611:25  Unique         4.20, 4.33 A
)
 &rst
  ixpk= 2611, nxpk= 25, iat= 807, 778, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 MET  HA           52 GLU  HB+         4.50    (#   2612:25  Unique         3.65, 4.49 A
)
 &rst
  ixpk= 2612, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   49 MET  HA           52 GLU  HB-         4.50    (#   2613:25  Unique         3.65, 4.49 A
)
 &rst
  ixpk= 2613, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   53 VAL  HN           52 GLU  HB+         4.50    (#   2616:25  Unique         2.63, 3.37 A
)
 &rst
  ixpk= 2616, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   53 VAL  HN           52 GLU  HB-         4.50    (#   2617:25  Unique         2.63, 3.37 A
)
 &rst
  ixpk= 2617, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 780, 781,
 &end
#
#   49 MET  HA           52 GLU  HG+         4.50    (#   2618:25  Unique         2.11, 3.05 A
)
 &rst
  ixpk= 2618, nxpk= 25, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 783, 784,
 &end
#
#   52 GLU  HB+          52 GLU  HG+         2.80    (#   2619:25  Unique         2.31, 2.77 A
)
 &rst
  ixpk= 2619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 780, 781,
 igr2= 783, 784,
 &end
#
#   53 VAL  HN           53 VAL  HB          4.50    (#   2620:25  Unique         2.45, 2.74 A
)
 &rst
  ixpk= 2620, nxpk= 25, iat= 791, 795, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HB-          53 VAL  MGX         3.50    (#   2622:25  Unique         2.63, 5.42 A
)
 &rst
  ixpk= 2622, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 780, 781,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  116 ARG  HD+          53 VAL  MGY         4.50    (#   2623:25  Unique         2.30, 4.71 A
)
 &rst
  ixpk= 2623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1742,1743,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   84 VAL  HN           83 GLY  HA+         3.50    (#   2626:25  Unique         2.64, 3.25 A
)
 &rst
  ixpk= 2626, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1211,1212,
 &end
#
#   53 VAL  HN           54 GLY  HA-         5.50    (#   2627:25  Unique         4.42, 4.72 A
)
 &rst
  ixpk= 2627, nxpk= 25, iat= 791,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 809, 810,
 &end
#
#   55 ILE  HG1-         54 GLY  HA+         5.50    (#   2628:25  Unique         3.58, 4.90 A
)
 &rst
  ixpk= 2628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 824, 825,
 igr2= 809, 810,
 &end
#
#    0 AMB  25-2:2629     0 AMB  25-1:2629   5.50    (#   2629:25  Double Ambig
)
 &rst
  ixpk= 2629, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.58, r4=10.33,
 igr1= 797, 798, 799, 801, 802, 803, 818,
 igr2= 809, 810, 809, 810,
 &end
#
#   55 ILE  QD1          55 ILE  HA          4.50    (#   2630:25  Unique         4.60, 4.80 A
)
 &rst
  ixpk= 2630, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 827, 828, 829,
 &end
#
#   56 ASP  HB+          55 ILE  HA          4.50    (#   2631:25  Unique         4.03, 4.45 A
)
 &rst
  ixpk= 2631, nxpk= 25, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 837, 838,
 &end
#
#   55 ILE  HN           55 ILE  HA          3.50    (#   2632:25  Unique         2.98, 2.99 A
)
 &rst
  ixpk= 2632, nxpk= 25, iat= 814, 816, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HA           55 ILE  HB          4.50    (#   2634:25  Unique         3.02, 3.04 A
)
 &rst
  ixpk= 2634, nxpk= 25, iat= 816, 818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 MET  HB+          55 ILE  HB          4.50    (#   2635:25  Unique         2.21, 3.12 A
)
 &rst
  ixpk= 2635, nxpk= 25, iat=  -1, 818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 748, 749,
 &end
#
#   55 ILE  QG2          55 ILE  HG1-        3.50    (#   2636:25  Unique         2.48, 3.43 A
)
 &rst
  ixpk= 2636, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 820, 821, 822,
 igr2= 824, 825,
 &end
#
#   17 MET  HG+          57 ILE  QD1         5.50    (#   2638:25  Unique         2.11, 3.12 A
)
 &rst
  ixpk= 2638, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 286, 287,
 igr2= 858, 859, 860,
 &end
#
#   17 MET  HA           57 ILE  QD1         4.50    (#   2640:25  Unique         2.20, 3.09 A
)
 &rst
  ixpk= 2640, nxpk= 25, iat= 281,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 858, 859, 860,
 &end
#
#   21 PHE  HE           55 ILE  QD1         4.50    (#   2642:25  Unique         2.31, 5.11 A
)
 &rst
  ixpk= 2642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 342,
 igr2= 827, 828, 829,
 &end
#
#   55 ILE  HN           55 ILE  QD1         4.50    (#   2643:25  Unique         3.76, 4.49 A
)
 &rst
  ixpk= 2643, nxpk= 25, iat= 814,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 827, 828, 829,
 &end
#
#    0 AMB  25-2:2644    55 ILE  QD1         5.50    (#   2644:25  Single Ambig
)
 &rst
  ixpk= 2644, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 833, 394, 358,
 igr2= 827, 828, 829,
 &end
#
#   55 ILE  HA           56 ASP  HB+         4.50    (#   2648:25  Unique         4.03, 4.45 A
)
 &rst
  ixpk= 2648, nxpk= 25, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 837, 838,
 &end
#
#   60 GLN  HE2-         57 ILE  HA          5.50    (#   2649:25  Unique         3.64, 4.41 A
)
 &rst
  ixpk= 2649, nxpk= 25, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 894, 895,
 &end
#
#   57 ILE  HN           57 ILE  HA          3.50    (#   2650:25  Unique         2.89, 2.91 A
)
 &rst
  ixpk= 2650, nxpk= 25, iat= 845, 847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HE2+         57 ILE  HB          4.50    (#   2651:25  Unique         4.67, 5.29 A
)
 &rst
  ixpk= 2651, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 894, 895,
 &end
#
#   60 GLN  HE2-         57 ILE  HB          4.50    (#   2652:25  Unique         4.67, 5.29 A
)
 &rst
  ixpk= 2652, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 894, 895,
 &end
#
#   57 ILE  HG1+         57 ILE  HB          3.50    (#   2653:25  Unique         2.39, 2.73 A
)
 &rst
  ixpk= 2653, nxpk= 25, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 855, 856,
 &end
#
#   57 ILE  HN           57 ILE  HG1-        4.50    (#   2654:25  Unique         2.64, 3.28 A
)
 &rst
  ixpk= 2654, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 855, 856,
 &end
#
#   57 ILE  HN           57 ILE  HG1+        4.50    (#   2655:25  Unique         2.64, 3.28 A
)
 &rst
  ixpk= 2655, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 855, 856,
 &end
#
#   77 ILE  QG2          79 LEU  HG          4.50    (#   2658:25  Unique         2.36, 3.29 A
)
 &rst
  ixpk= 2658, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  25-2:2659    57 ILE  QD1         4.50    (#   2659:25  Single Ambig
)
 &rst
  ixpk= 2659, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 698, 321,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  25-2:2660    57 ILE  QD1         5.50    (#   2660:25  Single Ambig
)
 &rst
  ixpk= 2660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 845, 727,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  25-2:2661    57 ILE  QD1         5.50    (#   2661:25  Single Ambig
)
 &rst
  ixpk= 2661, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 894, 895, 328,
 igr2= 858, 859, 860,
 &end
#
#   60 GLN  HE2-         57 ILE  QD1         5.50    (#   2662:25  Unique         4.49, 5.60 A
)
 &rst
  ixpk= 2662, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 894, 895,
 igr2= 858, 859, 860,
 &end
#
#   57 ILE  HA           57 ILE  QD1         5.50    (#   2664:25  Unique         4.51, 4.81 A
)
 &rst
  ixpk= 2664, nxpk= 25, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 858, 859, 860,
 &end
#
#    0 AMB  25-2:2665    57 ILE  QD1         5.50    (#   2665:25  Single Ambig
)
 &rst
  ixpk= 2665, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 323, 324, 647, 648,
 igr2= 858, 859, 860,
 &end
#
#   60 GLN  HG+          57 ILE  QD1         4.50    (#   2666:25  Unique         5.71, 6.51 A
)
 &rst
  ixpk= 2666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 889, 890,
 igr2= 858, 859, 860,
 &end
#
#   16 GLN  HB-          57 ILE  QD1         4.50    (#   2667:25  Unique         2.81, 4.11 A
)
 &rst
  ixpk= 2667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 266, 267,
 igr2= 858, 859, 860,
 &end
#
#   57 ILE  HG1-         57 ILE  QG2         2.80    (#   2668:25  Unique         2.45, 3.53 A
)
 &rst
  ixpk= 2668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 855, 856,
 igr2= 851, 852, 853,
 &end
#
#   23 LYS  HD+          57 ILE  QG2         5.50    (#   2669:25  Unique         5.87, 7.95 A
)
 &rst
  ixpk= 2669, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 368, 369,
 igr2= 851, 852, 853,
 &end
#
#    0 AMB  25-2:2670    57 ILE  QG2         4.50    (#   2670:25  Single Ambig
)
 &rst
  ixpk= 2670, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 886, 887, 889, 890,
 igr2= 851, 852, 853,
 &end
#
#   56 ASP  HB-          57 ILE  QG2         5.50    (#   2671:25  Unique         6.58, 7.64 A
)
 &rst
  ixpk= 2671, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 837, 838,
 igr2= 851, 852, 853,
 &end
#
#   47 ILE  HA           57 ILE  QG2         5.50    (#   2672:25  Unique         5.45, 5.71 A
)
 &rst
  ixpk= 2672, nxpk= 25, iat= 700,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 851, 852, 853,
 &end
#
#   60 GLN  HE2-         57 ILE  QG2         4.50    (#   2674:25  Unique         2.22, 3.05 A
)
 &rst
  ixpk= 2674, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 894, 895,
 igr2= 851, 852, 853,
 &end
#
#   20 GLY  HN           57 ILE  QG2         4.50    (#   2675:25  Unique         3.80, 4.88 A
)
 &rst
  ixpk= 2675, nxpk= 25, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 851, 852, 853,
 &end
#
#   60 GLN  HE2+         57 ILE  QG2         4.50    (#   2676:25  Unique         2.22, 3.05 A
)
 &rst
  ixpk= 2676, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 894, 895,
 igr2= 851, 852, 853,
 &end
#
#   57 ILE  HN           57 ILE  QG2         4.50    (#   2677:25  Unique         4.59, 4.88 A
)
 &rst
  ixpk= 2677, nxpk= 25, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 851, 852, 853,
 &end
#
#   59 GLY  HN           58 SER  HA          4.50    (#   2678:25  Unique         3.55, 3.58 A
)
 &rst
  ixpk= 2678, nxpk= 25, iat= 875, 866, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HN           58 SER  HA          5.50    (#   2679:25  Unique         3.67, 4.04 A
)
 &rst
  ixpk= 2679, nxpk= 25, iat= 882, 866, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2680     0 AMB  25-1:2680   2.80    (#   2680:25  Double Ambig
)
 &rst
  ixpk= 2680, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 868, 869, 255, 256,
 igr2= 866, 253,
 &end
#
#   60 GLN  HN           59 GLY  HA-         4.50    (#   2683:25  Unique         3.00, 3.35 A
)
 &rst
  ixpk= 2683, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 877, 878,
 &end
#
#   60 GLN  HN           59 GLY  HA+         4.50    (#   2684:25  Unique         3.00, 3.35 A
)
 &rst
  ixpk= 2684, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 877, 878,
 &end
#
#   60 GLN  HA           60 GLN  HB+         3.50    (#   2685:25  Unique         2.36, 2.47 A
)
 &rst
  ixpk= 2685, nxpk= 25, iat= 884,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 886, 887,
 &end
#
#   60 GLN  HN           60 GLN  HB+         4.50    (#   2686:25  Unique         2.49, 3.33 A
)
 &rst
  ixpk= 2686, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 886, 887,
 &end
#
#   60 GLN  HN           60 GLN  HB-         3.50    (#   2687:25  Unique         2.49, 3.33 A
)
 &rst
  ixpk= 2687, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 886, 887,
 &end
#
#   61 THR  HN           60 GLN  HB+         3.50    (#   2688:25  Unique         2.28, 3.50 A
)
 &rst
  ixpk= 2688, nxpk= 25, iat= 899,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2+         60 GLN  HB+         3.50    (#   2689:25  Unique         2.18, 4.25 A
)
 &rst
  ixpk= 2689, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2+         60 GLN  HB-         3.50    (#   2690:25  Unique         2.18, 4.25 A
)
 &rst
  ixpk= 2690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2-         60 GLN  HB+         4.50    (#   2691:25  Unique         2.18, 4.25 A
)
 &rst
  ixpk= 2691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   60 GLN  HE2-         60 GLN  HB-         5.50    (#   2692:25  Unique         2.18, 4.25 A
)
 &rst
  ixpk= 2692, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 894, 895,
 igr2= 886, 887,
 &end
#
#   66 GLU  HA           66 GLU  HB+         2.80    (#   2693:25  Unique         2.40, 2.74 A
)
 &rst
  ixpk= 2693, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 973, 974,
 &end
#
#   60 GLN  HN           60 GLN  HG+         3.50    (#   2694:25  Unique         2.09, 2.73 A
)
 &rst
  ixpk= 2694, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 889, 890,
 &end
#
#   60 GLN  HN           60 GLN  HG-         4.50    (#   2695:25  Unique         2.09, 2.73 A
)
 &rst
  ixpk= 2695, nxpk= 25, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#   67 ASN  HD2-         67 ASN  HB-         4.50    (#   2696:25  Unique         2.24, 3.16 A
)
 &rst
  ixpk= 2696, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 993, 994,
 igr2= 988, 989,
 &end
#
#   61 THR  HB           61 THR  HA          3.50    (#   2697:25  Unique         2.36, 2.46 A
)
 &rst
  ixpk= 2697, nxpk= 25, iat= 903, 901, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 SER  HN           61 THR  MG2         3.50    (#   2699:25  Unique         3.77, 4.41 A
)
 &rst
  ixpk= 2699, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 905, 906, 907,
 &end
#
#   62 SER  HN           62 SER  HA          4.50    (#   2700:25  Unique         2.90, 2.95 A
)
 &rst
  ixpk= 2700, nxpk= 25, iat= 913, 915, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 ASP  HN           74 ASP  HA          3.50    (#   2701:25  Unique         2.87, 2.92 A
)
 &rst
  ixpk= 2701, nxpk= 25, iat=1087,1089, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLU  HN           74 ASP  HA          4.50    (#   2702:25  Unique         3.55, 3.79 A
)
 &rst
  ixpk= 2702, nxpk= 25, iat=1379,1089, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 VAL  HN           74 ASP  HA          4.50    (#   2703:25  Unique         3.53, 3.55 A
)
 &rst
  ixpk= 2703, nxpk= 25, iat=1099,1089, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLN  HE2+         62 SER  HA          3.50    (#   2704:25  Unique         2.03, 2.54 A
)
 &rst
  ixpk= 2704, nxpk= 25, iat=  -1, 915, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 274, 275,
 &end
#
#   62 SER  HB+          62 SER  HA          4.50    (#   2706:25  Unique         2.27, 2.47 A
)
 &rst
  ixpk= 2706, nxpk= 25, iat=  -1, 915, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 917, 918,
 &end
#
#    0 AMB  25-2:2707    74 ASP  HA          3.50    (#   2707:25  Single Ambig
)
 &rst
  ixpk= 2707, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1383,1384,1369,1370,
 &end
#
#    0 AMB  25-2:2708    74 ASP  HA          3.50    (#   2708:25  Single Ambig
)
 &rst
  ixpk= 2708, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1386,1387,1383,1384,
 &end
#
#   75 VAL  MGX          74 ASP  HA          5.50    (#   2709:25  Unique         4.50, 6.46 A
)
 &rst
  ixpk= 2709, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   42 VAL  MGY          62 SER  HB+         4.50    (#   2710:25  Unique         5.75, 7.68 A
)
 &rst
  ixpk= 2710, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 917, 918,
 &end
#
#  104 PRO  HG-         112 PHE  HA          4.50    (#   2711:25  Unique         3.09, 3.63 A
)
 &rst
  ixpk= 2711, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  104 PRO  HG+         112 PHE  HA          5.50    (#   2712:25  Unique         3.09, 3.63 A
)
 &rst
  ixpk= 2712, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1551,1552,
 &end
#
#  107 GLN  HG+         112 PHE  HA          5.50    (#   2713:25  Unique         5.33, 5.86 A
)
 &rst
  ixpk= 2713, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1587,1588,
 &end
#
#  112 PHE  HB+         112 PHE  HA          2.80    (#   2714:25  Unique         2.65, 2.84 A
)
 &rst
  ixpk= 2714, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1662,1663,
 &end
#
#    0 AMB  25-2:2715     0 AMB  25-1:2715   4.50    (#   2715:25  Double Ambig
)
 &rst
  ixpk= 2715, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 901, 594,
 igr2= 917, 918, 917, 918,
 &end
#
#    0 AMB  25-2:2716    62 SER  HB-         5.50    (#   2716:25  Single Ambig
)
 &rst
  ixpk= 2716, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 901, 594,
 igr2= 917, 918,
 &end
#
#   62 SER  HA           62 SER  HB+         4.50    (#   2719:25  Unique         2.27, 2.47 A
)
 &rst
  ixpk= 2719, nxpk= 25, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 917, 918,
 &end
#
#   62 SER  HA           62 SER  HB-         3.50    (#   2720:25  Unique         2.27, 2.47 A
)
 &rst
  ixpk= 2720, nxpk= 25, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 917, 918,
 &end
#
#  112 PHE  HD          112 PHE  HA          3.50    (#   2721:25  Unique         2.74, 3.41 A
)
 &rst
  ixpk= 2721, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1666,1674,
 &end
#
#   40 SER  HN           62 SER  HB-         5.50    (#   2722:25  Unique         2.81, 3.79 A
)
 &rst
  ixpk= 2722, nxpk= 25, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 917, 918,
 &end
#
#   62 SER  HN           62 SER  HB+         3.50    (#   2723:25  Unique         2.75, 3.27 A
)
 &rst
  ixpk= 2723, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 917, 918,
 &end
#
#   62 SER  HN           62 SER  HB-         3.50    (#   2724:25  Unique         2.75, 3.27 A
)
 &rst
  ixpk= 2724, nxpk= 25, iat= 913,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 917, 918,
 &end
#
#   63 ASP  HN           63 ASP  HA          4.50    (#   2725:25  Unique         2.91, 2.94 A
)
 &rst
  ixpk= 2725, nxpk= 25, iat= 924, 926, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2728    63 ASP  HA          4.50    (#   2728:25  Single Ambig
)
 &rst
  ixpk= 2728, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 585, 586, 917, 918,
 &end
#
#   63 ASP  HB-          63 ASP  HA          3.50    (#   2729:25  Unique         2.62, 2.87 A
)
 &rst
  ixpk= 2729, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 928, 929,
 &end
#
#    0 AMB  25-2:2730    63 ASP  HA          5.50    (#   2730:25  Single Ambig
)
 &rst
  ixpk= 2730, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 943, 944, 988, 989, 988, 989,
 &end
#
#   64 PRO  HG+          63 ASP  HA          4.50    (#   2731:25  Unique         4.50, 4.63 A
)
 &rst
  ixpk= 2731, nxpk= 25, iat=  -1, 926, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 940, 941,
 &end
#
#   35 CYS  HB-          63 ASP  HB+         4.50    (#   2732:25  Unique         4.24, 5.80 A
)
 &rst
  ixpk= 2732, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 533, 534,
 igr2= 928, 929,
 &end
#
#   35 CYS  HB-          63 ASP  HB-         5.50    (#   2733:25  Unique         4.24, 5.80 A
)
 &rst
  ixpk= 2733, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 533, 534,
 igr2= 928, 929,
 &end
#
#    0 AMB  25-2:2734     0 AMB  25-1:2734   4.50    (#   2734:25  Double Ambig
)
 &rst
  ixpk= 2734, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 533, 534, 988, 989,
 igr2= 928, 929, 928, 929,
 &end
#
#    0 AMB  25-2:2735    63 ASP  HB-         4.50    (#   2735:25  Single Ambig
)
 &rst
  ixpk= 2735, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 533, 534, 988, 989,
 igr2= 928, 929,
 &end
#
#   64 PRO  HD+          63 ASP  HB+         3.50    (#   2736:25  Unique         3.53, 4.44 A
)
 &rst
  ixpk= 2736, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 937, 938,
 igr2= 928, 929,
 &end
#
#   64 PRO  HD+          63 ASP  HB-         4.50    (#   2737:25  Unique         3.53, 4.44 A
)
 &rst
  ixpk= 2737, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 937, 938,
 igr2= 928, 929,
 &end
#
#   35 CYS  HA           63 ASP  HB+         5.50    (#   2738:25  Unique         2.97, 4.20 A
)
 &rst
  ixpk= 2738, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 928, 929,
 &end
#
#   35 CYS  HA           63 ASP  HB-         4.50    (#   2739:25  Unique         2.97, 4.20 A
)
 &rst
  ixpk= 2739, nxpk= 25, iat= 531,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 928, 929,
 &end
#
#   63 ASP  HA           63 ASP  HB-         4.50    (#   2740:25  Unique         2.62, 2.87 A
)
 &rst
  ixpk= 2740, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 928, 929,
 &end
#
#   63 ASP  HN           63 ASP  HB+         5.50    (#   2741:25  Unique         2.79, 3.03 A
)
 &rst
  ixpk= 2741, nxpk= 25, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 928, 929,
 &end
#
#   63 ASP  HN           63 ASP  HB-         4.50    (#   2742:25  Unique         2.79, 3.03 A
)
 &rst
  ixpk= 2742, nxpk= 25, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 928, 929,
 &end
#
#   65 ILE  HA           64 PRO  HA          4.50    (#   2743:25  Unique         4.42, 4.46 A
)
 &rst
  ixpk= 2743, nxpk= 25, iat= 952, 946, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 PRO  HD+          64 PRO  HA          5.50    (#   2744:25  Unique         3.52, 3.86 A
)
 &rst
  ixpk= 2744, nxpk= 25, iat=  -1, 946, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 937, 938,
 &end
#
#   39 SER  HB-          64 PRO  HA          4.50    (#   2745:25  Unique         2.27, 3.57 A
)
 &rst
  ixpk= 2745, nxpk= 25, iat=  -1, 946, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 585, 586,
 &end
#
#   65 ILE  HB           64 PRO  HA          4.50    (#   2746:25  Unique         4.33, 4.43 A
)
 &rst
  ixpk= 2746, nxpk= 25, iat= 954, 946, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 ILE  QG2          64 PRO  HA          4.50    (#   2747:25  Unique         4.11, 5.30 A
)
 &rst
  ixpk= 2747, nxpk= 25, iat=  -1, 946, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 956, 957, 958,
 &end
#
#   64 PRO  HD+          64 PRO  HB-         3.50    (#   2749:25  Unique         2.86, 3.70 A
)
 &rst
  ixpk= 2749, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 937, 938,
 igr2= 943, 944,
 &end
#
#    0 AMB  25-2:2750     0 AMB  25-1:2750   5.50    (#   2750:25  Double Ambig
)
 &rst
  ixpk= 2750, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 969,1732,
 igr2= 940, 941,1739,1740,
 &end
#
#   67 ASN  HD2-         64 PRO  HG+         5.50    (#   2751:25  Unique         2.57, 5.65 A
)
 &rst
  ixpk= 2751, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 993, 994,
 igr2= 940, 941,
 &end
#
#   63 ASP  HA           64 PRO  HG+         5.50    (#   2752:25  Unique         4.50, 4.63 A
)
 &rst
  ixpk= 2752, nxpk= 25, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 940, 941,
 &end
#
#   64 PRO  HA           64 PRO  HG+         5.50    (#   2753:25  Unique         3.83, 3.98 A
)
 &rst
  ixpk= 2753, nxpk= 25, iat= 946,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 940, 941,
 &end
#
#   65 ILE  QD1          88 PRO  HD+         4.50    (#   2754:25  Unique         3.37, 5.21 A
)
 &rst
  ixpk= 2754, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 963, 964, 965,
 igr2=1280,1281,
 &end
#
#   86 LEU  HB-          88 PRO  HD+         3.50    (#   2755:25  Unique         2.01, 3.69 A
)
 &rst
  ixpk= 2755, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1250,1251,
 igr2=1280,1281,
 &end
#
#   86 LEU  HB+          88 PRO  HD+         4.50    (#   2756:25  Unique         2.01, 3.69 A
)
 &rst
  ixpk= 2756, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1250,1251,
 igr2=1280,1281,
 &end
#
#   63 ASP  HB-          64 PRO  HD+         4.50    (#   2757:25  Unique         3.53, 4.44 A
)
 &rst
  ixpk= 2757, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 928, 929,
 igr2= 937, 938,
 &end
#
#   63 ASP  HB+          64 PRO  HD+         3.50    (#   2758:25  Unique         3.53, 4.44 A
)
 &rst
  ixpk= 2758, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 928, 929,
 igr2= 937, 938,
 &end
#
#   39 SER  HB-          64 PRO  HD+         3.50    (#   2759:25  Unique         2.42, 4.14 A
)
 &rst
  ixpk= 2759, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 585, 586,
 igr2= 937, 938,
 &end
#
#   67 ASN  HD2-         64 PRO  HD+         4.50    (#   2760:25  Unique         3.04, 5.05 A
)
 &rst
  ixpk= 2760, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 993, 994,
 igr2= 937, 938,
 &end
#
#   67 ASN  HD2+         64 PRO  HD+         3.50    (#   2761:25  Unique         3.04, 5.05 A
)
 &rst
  ixpk= 2761, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 993, 994,
 igr2= 937, 938,
 &end
#
#   68 PHE  HN           65 ILE  HA          5.50    (#   2762:25  Unique         3.79, 4.09 A
)
 &rst
  ixpk= 2762, nxpk= 25, iat= 998, 952, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 ASN  HN           65 ILE  HA          5.50    (#   2763:25  Unique         3.65, 3.83 A
)
 &rst
  ixpk= 2763, nxpk= 25, iat= 984, 952, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2765    65 ILE  HA          4.50    (#   2765:25  Single Ambig
)
 &rst
  ixpk= 2765, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 946,1000,
 &end
#
#   68 PHE  HB+          65 ILE  HA          5.50    (#   2766:25  Unique         3.83, 5.15 A
)
 &rst
  ixpk= 2766, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#   68 PHE  HB-          65 ILE  HA          5.50    (#   2767:25  Unique         3.83, 5.15 A
)
 &rst
  ixpk= 2767, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#   65 ILE  HG1+         65 ILE  HB          3.50    (#   2770:25  Unique         2.38, 2.72 A
)
 &rst
  ixpk= 2770, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 960, 961,
 &end
#
#   35 CYS  HB-          65 ILE  HB          4.50    (#   2771:25  Unique         2.46, 3.57 A
)
 &rst
  ixpk= 2771, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 533, 534,
 &end
#
#   64 PRO  HA           65 ILE  HB          4.50    (#   2772:25  Unique         4.33, 4.43 A
)
 &rst
  ixpk= 2772, nxpk= 25, iat= 946, 954, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2773    65 ILE  HB          5.50    (#   2773:25  Single Ambig
)
 &rst
  ixpk= 2773, nxpk= 25, iat=  -1, 954, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1006,1014,1321,
 &end
#
#   90 TRP  HE1          65 ILE  HG1-        5.50    (#   2774:25  Unique         1.69, 2.54 A
)
 &rst
  ixpk= 2774, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   90 TRP  HE1          65 ILE  HG1+        4.50    (#   2775:25  Unique         1.69, 2.54 A
)
 &rst
  ixpk= 2775, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#    0 AMB  25-2:2776     0 AMB  25-1:2776   5.50    (#   2776:25  Double Ambig
)
 &rst
  ixpk= 2776, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1321,1006,1014,
 igr2= 960, 961, 960, 961,
 &end
#
#    0 AMB  25-2:2777    65 ILE  HG1-        5.50    (#   2777:25  Single Ambig
)
 &rst
  ixpk= 2777, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1321,1006,1014,
 igr2= 960, 961,
 &end
#
#   65 ILE  HA           65 ILE  HG1+        4.50    (#   2778:25  Unique         2.19, 2.58 A
)
 &rst
  ixpk= 2778, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   65 ILE  HB           65 ILE  HG1+        3.50    (#   2779:25  Unique         2.38, 2.72 A
)
 &rst
  ixpk= 2779, nxpk= 25, iat= 954,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#    7 VAL  MGX          65 ILE  QD1         3.50    (#   2780:25  Unique         2.23, 4.14 A
)
 &rst
  ixpk= 2780, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2= 963, 964, 965,
 &end
#
#   88 PRO  HB+          65 ILE  QD1         4.50    (#   2781:25  Unique         4.17, 5.76 A
)
 &rst
  ixpk= 2781, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1286,1287,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:2782    65 ILE  QD1         4.50    (#   2782:25  Single Ambig
)
 &rst
  ixpk= 2782, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,1280,1281,
 igr2= 963, 964, 965,
 &end
#
#   88 PRO  HD+          65 ILE  QD1         5.50    (#   2783:25  Unique         3.37, 5.21 A
)
 &rst
  ixpk= 2783, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1280,1281,
 igr2= 963, 964, 965,
 &end
#
#    0 AMB  25-2:2784    65 ILE  QD1         4.50    (#   2784:25  Single Ambig
)
 &rst
  ixpk= 2784, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 952,1310,
 igr2= 963, 964, 965,
 &end
#
#   86 LEU  HA           65 ILE  QD1         5.50    (#   2785:25  Unique         4.70, 6.12 A
)
 &rst
  ixpk= 2785, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 963, 964, 965,
 &end
#
#   90 TRP  HD1          65 ILE  QD1         5.50    (#   2786:25  Unique         2.11, 3.44 A
)
 &rst
  ixpk= 2786, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 963, 964, 965,
 &end
#
#   65 ILE  HN           65 ILE  QD1         5.50    (#   2787:25  Unique         4.49, 5.21 A
)
 &rst
  ixpk= 2787, nxpk= 25, iat= 950,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 963, 964, 965,
 &end
#
#   90 TRP  HE1          65 ILE  QD1         4.50    (#   2788:25  Unique         2.32, 3.65 A
)
 &rst
  ixpk= 2788, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 963, 964, 965,
 &end
#
#   64 PRO  HA           65 ILE  QG2         5.50    (#   2789:25  Unique         4.11, 5.30 A
)
 &rst
  ixpk= 2789, nxpk= 25, iat= 946,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 956, 957, 958,
 &end
#
#   66 GLU  HA           65 ILE  QG2         4.50    (#   2790:25  Unique         3.05, 4.18 A
)
 &rst
  ixpk= 2790, nxpk= 25, iat= 971,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 956, 957, 958,
 &end
#
#   66 GLU  HG-          65 ILE  QG2         3.50    (#   2791:25  Unique         2.56, 3.65 A
)
 &rst
  ixpk= 2791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 976, 977,
 igr2= 956, 957, 958,
 &end
#
#    0 AMB  25-2:2792    65 ILE  QG2         3.50    (#   2792:25  Single Ambig
)
 &rst
  ixpk= 2792, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 943, 944, 973, 974,
 igr2= 956, 957, 958,
 &end
#
#    0 AMB  25-2:2793    65 ILE  QG2         4.50    (#   2793:25  Single Ambig
)
 &rst
  ixpk= 2793, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 554, 551, 552,
 igr2= 956, 957, 958,
 &end
#
#   68 PHE  HN           66 GLU  HA          4.50    (#   2794:25  Unique         3.98, 4.14 A
)
 &rst
  ixpk= 2794, nxpk= 25, iat= 998, 971, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 ASN  HN           66 GLU  HB+         5.50    (#   2795:25  Unique         2.99, 3.66 A
)
 &rst
  ixpk= 2795, nxpk= 25, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 973, 974,
 &end
#
#    0 AMB  25-2:2796     0 AMB  25-1:2796   2.80    (#   2796:25  Double Ambig
)
 &rst
  ixpk= 2796, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 976, 977, 943, 944,
 igr2= 973, 974, 973, 974,
 &end
#
#   65 ILE  QG2          66 GLU  HB+         4.50    (#   2797:25  Unique         4.61, 5.49 A
)
 &rst
  ixpk= 2797, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 956, 957, 958,
 igr2= 973, 974,
 &end
#
#   66 GLU  HB+          67 ASN  HA          4.50    (#   2798:25  Unique         4.08, 4.44 A
)
 &rst
  ixpk= 2798, nxpk= 25, iat=  -1, 986, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 973, 974,
 &end
#
#   67 ASN  HD2-         67 ASN  HA          5.50    (#   2799:25  Unique         4.19, 4.63 A
)
 &rst
  ixpk= 2799, nxpk= 25, iat=  -1, 986, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 993, 994,
 &end
#
#   67 ASN  HD2+         67 ASN  HA          4.50    (#   2800:25  Unique         4.19, 4.63 A
)
 &rst
  ixpk= 2800, nxpk= 25, iat=  -1, 986, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 993, 994,
 &end
#
#   68 PHE  HN           67 ASN  HA          4.50    (#   2801:25  Unique         3.35, 3.50 A
)
 &rst
  ixpk= 2801, nxpk= 25, iat= 998, 986, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 ASN  HD2-         67 ASN  HB+         4.50    (#   2802:25  Unique         2.24, 3.16 A
)
 &rst
  ixpk= 2802, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 993, 994,
 igr2= 988, 989,
 &end
#
#   68 PHE  HN           68 PHE  HA          4.50    (#   2803:25  Unique         2.93, 2.98 A
)
 &rst
  ixpk= 2803, nxpk= 25, iat= 998,1000, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 ASN  HN           68 PHE  HB-         4.50    (#   2804:25  Unique         1.90, 2.53 A
)
 &rst
  ixpk= 2804, nxpk= 25, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1002,1003,
 &end
#
#   68 PHE  HN           68 PHE  HB+         4.50    (#   2805:25  Unique         2.44, 3.12 A
)
 &rst
  ixpk= 2805, nxpk= 25, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1002,1003,
 &end
#
#   68 PHE  HN           68 PHE  HB-         3.50    (#   2806:25  Unique         2.44, 3.12 A
)
 &rst
  ixpk= 2806, nxpk= 25, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#   69 ASN  HD2+         68 PHE  HB+         3.50    (#   2807:25  Unique         3.78, 5.02 A
)
 &rst
  ixpk= 2807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1027,1028,
 igr2=1002,1003,
 &end
#
#   73 TYR  HE           68 PHE  HB+         3.50    (#   2808:25  Unique         2.09, 4.60 A
)
 &rst
  ixpk= 2808, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1076,1081,
 igr2=1002,1003,
 &end
#
#   73 TYR  HE           68 PHE  HB-         3.50    (#   2809:25  Unique         2.09, 4.60 A
)
 &rst
  ixpk= 2809, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1076,1081,
 igr2=1002,1003,
 &end
#
#   68 PHE  HA           68 PHE  HB-         3.50    (#   2810:25  Unique         2.39, 2.73 A
)
 &rst
  ixpk= 2810, nxpk= 25, iat=1000,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1002,1003,
 &end
#
#    5 MET  ME           68 PHE  HB+         4.50    (#   2812:25  Unique         2.20, 3.53 A
)
 &rst
  ixpk= 2812, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=1002,1003,
 &end
#
#    5 MET  ME           68 PHE  HB-         4.50    (#   2813:25  Unique         2.20, 3.53 A
)
 &rst
  ixpk= 2813, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  92,  93,  94,
 igr2=1002,1003,
 &end
#
#   70 ALA  HA           69 ASN  HA          5.50    (#   2814:25  Unique         4.33, 4.39 A
)
 &rst
  ixpk= 2814, nxpk= 25, iat=1034,1020, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2815    69 ASN  HA          3.50    (#   2815:25  Single Ambig
)
 &rst
  ixpk= 2815, nxpk= 25, iat=  -1,1020, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1321,1042,
 &end
#
#   70 ALA  HN           69 ASN  HB+         5.50    (#   2816:25  Unique         2.86, 3.78 A
)
 &rst
  ixpk= 2816, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1022,1023,
 &end
#
#   70 ALA  HN           69 ASN  HB-         4.50    (#   2817:25  Unique         2.86, 3.78 A
)
 &rst
  ixpk= 2817, nxpk= 25, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1022,1023,
 &end
#
#    5 MET  ME           70 ALA  HA          5.50    (#   2818:25  Unique         3.96, 4.99 A
)
 &rst
  ixpk= 2818, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  92,  93,  94,
 &end
#
#   76 VAL  MGX          70 ALA  HA          5.50    (#   2819:25  Unique         3.74, 5.50 A
)
 &rst
  ixpk= 2819, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   73 TYR  HB-          70 ALA  HA          4.50    (#   2820:25  Unique         2.26, 3.45 A
)
 &rst
  ixpk= 2820, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1070,1071,
 &end
#
#   73 TYR  HB+          70 ALA  HA          5.50    (#   2821:25  Unique         2.26, 3.45 A
)
 &rst
  ixpk= 2821, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1070,1071,
 &end
#
#   69 ASN  HA           70 ALA  HA          4.50    (#   2823:25  Unique         4.33, 4.39 A
)
 &rst
  ixpk= 2823, nxpk= 25, iat=1020,1034, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 TYR  HE           70 ALA  HA          4.50    (#   2825:25  Unique         3.95, 5.53 A
)
 &rst
  ixpk= 2825, nxpk= 25, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1076,1081,
 &end
#
#   90 TRP  HE1          70 ALA  MB          5.50    (#   2826:25  Unique         3.79, 5.48 A
)
 &rst
  ixpk= 2826, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HN           70 ALA  MB          5.50    (#   2827:25  Unique         3.12, 4.16 A
)
 &rst
  ixpk= 2827, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:2828    70 ALA  MB          4.50    (#   2828:25  Single Ambig
)
 &rst
  ixpk= 2828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1066,1054,
 igr2=1036,1037,1038,
 &end
#
#   93 GLN  HE2-         70 ALA  MB          4.50    (#   2829:25  Unique         2.64, 4.00 A
)
 &rst
  ixpk= 2829, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1374,1375,
 igr2=1036,1037,1038,
 &end
#
#   73 TYR  HD           70 ALA  MB          5.50    (#   2830:25  Unique         4.22, 6.25 A
)
 &rst
  ixpk= 2830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1074,1083,
 igr2=1036,1037,1038,
 &end
#
#   93 GLN  HE2+         70 ALA  MB          4.50    (#   2831:25  Unique         2.64, 4.00 A
)
 &rst
  ixpk= 2831, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1374,1375,
 igr2=1036,1037,1038,
 &end
#
#   69 ASN  HA           70 ALA  MB          5.50    (#   2832:25  Unique         4.29, 5.03 A
)
 &rst
  ixpk= 2832, nxpk= 25, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#   90 TRP  HB+          70 ALA  MB          5.50    (#   2833:25  Unique         2.98, 4.56 A
)
 &rst
  ixpk= 2833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1312,1313,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:2834    70 ALA  MB          5.50    (#   2834:25  Single Ambig
)
 &rst
  ixpk= 2834, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1070,1071,1366,1367,
 igr2=1036,1037,1038,
 &end
#
#   93 GLN  HG+          70 ALA  MB          4.50    (#   2835:25  Unique         2.17, 3.60 A
)
 &rst
  ixpk= 2835, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1369,1370,
 igr2=1036,1037,1038,
 &end
#
#    0 AMB  25-2:2836    70 ALA  MB          5.50    (#   2836:25  Single Ambig
)
 &rst
  ixpk= 2836, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1119,1286,1287,1046,1047,
 igr2=1036,1037,1038,
 &end
#
#   72 ASP  HN           71 ASP  HB+         4.50    (#   2837:25  Unique         3.21, 3.83 A
)
 &rst
  ixpk= 2837, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#   72 ASP  HN           71 ASP  HB-         4.50    (#   2838:25  Unique         3.21, 3.83 A
)
 &rst
  ixpk= 2838, nxpk= 25, iat=1054,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#   69 ASN  HD2+         71 ASP  HB-         4.50    (#   2839:25  Unique         3.58, 5.02 A
)
 &rst
  ixpk= 2839, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1027,1028,
 igr2=1046,1047,
 &end
#
#   69 ASN  HD2+         71 ASP  HB+         4.50    (#   2840:25  Unique         3.58, 5.02 A
)
 &rst
  ixpk= 2840, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1027,1028,
 igr2=1046,1047,
 &end
#
#   70 ALA  MB           71 ASP  HB-         5.50    (#   2841:25  Unique         4.51, 6.04 A
)
 &rst
  ixpk= 2841, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1036,1037,1038,
 igr2=1046,1047,
 &end
#
#    0 AMB  25-2:2842    72 ASP  HB-         3.50    (#   2842:25  Single Ambig
)
 &rst
  ixpk= 2842, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1027,1028,1074,1083,
 igr2=1058,1059,
 &end
#
#    0 AMB  25-2:2843     0 AMB  25-1:2843   5.50    (#   2843:25  Double Ambig
)
 &rst
  ixpk= 2843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=  53,  54,  88,  89,  53,  54,
 igr2=1058,1059,1070,1071,
 &end
#
#    3 LYS  HD+          72 ASP  HB-         5.50    (#   2844:25  Unique         3.91, 4.99 A
)
 &rst
  ixpk= 2844, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  53,  54,
 igr2=1058,1059,
 &end
#
#   76 VAL  MGX          73 TYR  HB-         4.50    (#   2845:25  Unique         2.46, 4.79 A
)
 &rst
  ixpk= 2845, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1070,1071,
 &end
#
#   70 ALA  MB           89 GLU  HA          5.50    (#   2846:25  Unique         4.64, 5.95 A
)
 &rst
  ixpk= 2846, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#   73 TYR  HB-          73 TYR  HA          2.80    (#   2847:25  Unique         2.48, 2.75 A
)
 &rst
  ixpk= 2847, nxpk= 25, iat=  -1,1068, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#   74 ASP  HA           73 TYR  HA          4.50    (#   2848:25  Unique         4.39, 4.43 A
)
 &rst
  ixpk= 2848, nxpk= 25, iat=1089,1068, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    3 LYS  HN           73 TYR  HA          5.50    (#   2849:25  Unique         3.87, 4.05 A
)
 &rst
  ixpk= 2849, nxpk= 25, iat=  43,1068, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 VAL  HN           73 TYR  HB+         4.50    (#   2850:25  Unique         3.01, 3.96 A
)
 &rst
  ixpk= 2850, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1070,1071,
 &end
#
#   75 VAL  HN           73 TYR  HB-         5.50    (#   2851:25  Unique         3.01, 3.96 A
)
 &rst
  ixpk= 2851, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1070,1071,
 &end
#
#   74 ASP  HN           73 TYR  HB-         5.50    (#   2852:25  Unique         2.89, 3.86 A
)
 &rst
  ixpk= 2852, nxpk= 25, iat=1087,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1070,1071,
 &end
#
#    0 AMB  25-2:2853    74 ASP  HA          4.50    (#   2853:25  Single Ambig
)
 &rst
  ixpk= 2853, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  31,  32,  53,  54,  28,  29,
 &end
#
#    0 AMB  25-2:2854    74 ASP  HA          4.50    (#   2854:25  Single Ambig
)
 &rst
  ixpk= 2854, nxpk= 25, iat=  -1,1089, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  47,  48,1398,
 &end
#
#    0 AMB  25-2:2855     0 AMB  25-1:2855   4.50    (#   2855:25  Double Ambig
)
 &rst
  ixpk= 2855, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=  47,  48,  47,  48,
 igr2=1091,1092,1091,1092,
 &end
#
#    0 AMB  25-2:2856    74 ASP  HB-         3.50    (#   2856:25  Single Ambig
)
 &rst
  ixpk= 2856, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  25,  26,  47,  48,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:2857   116 ARG  HD-         3.50    (#   2857:25  Single Ambig
)
 &rst
  ixpk= 2857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1739,1740,1736,1737,
 igr2=1742,1743,
 &end
#
#   49 MET  HB+         116 ARG  HD-         4.50    (#   2858:25  Unique         2.17, 4.65 A
)
 &rst
  ixpk= 2858, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732,
 igr2=1742,1743,
 &end
#
#    1 MET  HG-          74 ASP  HB+         5.50    (#   2859:25  Unique         6.26, 7.07 A
)
 &rst
  ixpk= 2859, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  11,  12,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:2860    74 ASP  HB-         5.50    (#   2860:25  Single Ambig
)
 &rst
  ixpk= 2860, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1383,1384,  11,  12,
 igr2=1091,1092,
 &end
#
#   94 GLU  HB+          74 ASP  HB+         4.50    (#   2861:25  Unique         4.55, 5.30 A
)
 &rst
  ixpk= 2861, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1383,1384,
 igr2=1091,1092,
 &end
#
#    2 LYS  HA           74 ASP  HB+         4.50    (#   2862:25  Unique         2.24, 2.88 A
)
 &rst
  ixpk= 2862, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1091,1092,
 &end
#
#    2 LYS  HA           74 ASP  HB-         4.50    (#   2863:25  Unique         2.24, 2.88 A
)
 &rst
  ixpk= 2863, nxpk= 25, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1091,1092,
 &end
#
#   75 VAL  HN           74 ASP  HB+         4.50    (#   2864:25  Unique         2.43, 3.26 A
)
 &rst
  ixpk= 2864, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1091,1092,
 &end
#
#   75 VAL  HN           74 ASP  HB-         3.50    (#   2865:25  Unique         2.43, 3.26 A
)
 &rst
  ixpk= 2865, nxpk= 25, iat=1099,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1091,1092,
 &end
#
#    3 LYS  HN           74 ASP  HB+         4.50    (#   2866:25  Unique         2.12, 2.65 A
)
 &rst
  ixpk= 2866, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1091,1092,
 &end
#
#    0 AMB  25-2:2867    75 VAL  HA          5.50    (#   2867:25  Single Ambig
)
 &rst
  ixpk= 2867, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1366,1367,1091,1092,
 &end
#
#   76 VAL  HB           75 VAL  HA          5.50    (#   2868:25  Unique         4.46, 4.63 A
)
 &rst
  ixpk= 2868, nxpk= 25, iat=1119,1101, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:2869    75 VAL  HA          4.50    (#   2869:25  Single Ambig
)
 &rst
  ixpk= 2869, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,  31,  32,
 &end
#
#    0 AMB  25-2:2870    75 VAL  HA          5.50    (#   2870:25  Single Ambig
)
 &rst
  ixpk= 2870, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1121,1122,1123,1125,1126,1127,1404,1405,
 &end
#
#    0 AMB  25-2:2871    75 VAL  HA          5.50    (#   2871:25  Single Ambig
)
 &rst
  ixpk= 2871, nxpk= 25, iat=  -1,1101, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#   76 VAL  MGY          76 VAL  HB          2.80    (#   2873:25  Unique         2.21, 2.62 A
)
 &rst
  ixpk= 2873, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  MGX          76 VAL  HB          2.80    (#   2874:25  Unique         2.21, 2.62 A
)
 &rst
  ixpk= 2874, nxpk= 25, iat=  -1,1119, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   96 PHE  HA           76 VAL  HB          5.50    (#   2875:25  Unique         3.98, 4.59 A
)
 &rst
  ixpk= 2875, nxpk= 25, iat=1415,1119, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 MET  HN           76 VAL  MGX         5.50    (#   2876:25  Unique         3.80, 5.13 A
)
 &rst
  ixpk= 2876, nxpk= 25, iat=  81,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:2877    76 VAL  MGX         5.50    (#   2877:25  Single Ambig
)
 &rst
  ixpk= 2877, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1362,1099,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   96 PHE  HD           76 VAL  MGX         4.50    (#   2878:25  Unique         2.15, 6.67 A
)
 &rst
  ixpk= 2878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1421,1429,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:2879    76 VAL  MGX         5.50    (#   2879:25  Single Ambig
)
 &rst
  ixpk= 2879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1074,1083,1348,1332,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:2881    76 VAL  MGX         5.50    (#   2881:25  Single Ambig
)
 &rst
  ixpk= 2881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=  83,  67,1089,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HA           76 VAL  MGX         4.50    (#   2882:25  Unique         2.50, 4.16 A
)
 &rst
  ixpk= 2882, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB+          76 VAL  MGX         5.50    (#   2883:25  Unique         2.08, 4.33 A
)
 &rst
  ixpk= 2883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB-          76 VAL  MGX         5.50    (#   2884:25  Unique         2.08, 4.33 A
)
 &rst
  ixpk= 2884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   73 TYR  HB+          76 VAL  MGX         4.50    (#   2885:25  Unique         2.46, 4.79 A
)
 &rst
  ixpk= 2885, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1070,1071,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   93 GLN  HG-          76 VAL  MGX         3.50    (#   2886:25  Unique         2.39, 4.60 A
)
 &rst
  ixpk= 2886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1369,1370,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB-          76 VAL  MGY         4.50    (#   2887:25  Unique         2.08, 4.33 A
)
 &rst
  ixpk= 2887, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   77 ILE  HG1+         77 ILE  HA          4.50    (#   2889:25  Unique         3.12, 3.49 A
)
 &rst
  ixpk= 2889, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1141,1142,
 &end
#
#    0 AMB  25-2:2890    77 ILE  HA          3.50    (#   2890:25  Single Ambig
)
 &rst
  ixpk= 2890, nxpk= 25, iat=  -1,1133, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1141,1142,1105,1106,1107,1109,1110,1111,
 &end
#
#    7 VAL  HN           77 ILE  HB          5.50    (#   2891:25  Unique         3.66, 4.02 A
)
 &rst
  ixpk= 2891, nxpk= 25, iat= 118,1135, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ILE  HA           77 ILE  HB          4.50    (#   2893:25  Unique         3.05, 3.06 A
)
 &rst
  ixpk= 2893, nxpk= 25, iat=1133,1135, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:2894    77 ILE  HB          3.50    (#   2894:25  Single Ambig
)
 &rst
  ixpk= 2894, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1144,1145,1146, 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:2895    77 ILE  HB          4.50    (#   2895:25  Single Ambig
)
 &rst
  ixpk= 2895, nxpk= 25, iat=  -1,1135, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    0 AMB  25-2:2896    77 ILE  HG1-        3.50    (#   2896:25  Single Ambig
)
 &rst
  ixpk= 2896, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 igr2=1141,1142,
 &end
#
#    0 AMB  25-2:2897     0 AMB  25-1:2897   3.50    (#   2897:25  Double Ambig
)
 &rst
  ixpk= 2897, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 igr2=1141,1142,1141,1142,
 &end
#
#   77 ILE  HB           77 ILE  HG1+        4.50    (#   2898:25  Unique         2.31, 2.43 A
)
 &rst
  ixpk= 2898, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1141,1142,
 &end
#
#   77 ILE  HN           77 ILE  HG1-        4.50    (#   2899:25  Unique         2.47, 3.29 A
)
 &rst
  ixpk= 2899, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1141,1142,
 &end
#
#   77 ILE  HN           77 ILE  HG1+        5.50    (#   2900:25  Unique         2.47, 3.29 A
)
 &rst
  ixpk= 2900, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1141,1142,
 &end
#
#    6 PHE  HE           77 ILE  HG1-        4.50    (#   2901:25  Unique         2.77, 5.08 A
)
 &rst
  ixpk= 2901, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 108, 112,
 igr2=1141,1142,
 &end
#
#    6 PHE  HE           77 ILE  HG1+        5.50    (#   2902:25  Unique         2.77, 5.08 A
)
 &rst
  ixpk= 2902, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 108, 112,
 igr2=1141,1142,
 &end
#
#   99 TRP  HE1          77 ILE  QD1         4.50    (#   2903:25  Unique         2.16, 3.70 A
)
 &rst
  ixpk= 2903, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   78 SER  HN           77 ILE  QD1         5.50    (#   2904:25  Unique         3.88, 4.72 A
)
 &rst
  ixpk= 2904, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1144,1145,1146,
 &end
#
#    0 AMB  25-2:2905    77 ILE  QD1         4.50    (#   2905:25  Single Ambig
)
 &rst
  ixpk= 2905, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1131,1115,
 igr2=1144,1145,1146,
 &end
#
#    6 PHE  HE           77 ILE  QD1         5.50    (#   2906:25  Unique         4.92, 7.17 A
)
 &rst
  ixpk= 2906, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 108, 112,
 igr2=1144,1145,1146,
 &end
#
#   97 GLU  HG-          77 ILE  QD1         4.50    (#   2907:25  Unique         3.45, 4.85 A
)
 &rst
  ixpk= 2907, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1440,1441,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HB           77 ILE  QD1         4.50    (#   2908:25  Unique         3.76, 3.97 A
)
 &rst
  ixpk= 2908, nxpk= 25, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1144,1145,1146,
 &end
#
#   77 ILE  HG1-         77 ILE  QG2         4.50    (#   2909:25  Unique         2.29, 3.45 A
)
 &rst
  ixpk= 2909, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1141,1142,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  MDX          77 ILE  QG2         4.50    (#   2910:25  Unique         2.31, 4.45 A
)
 &rst
  ixpk= 2910, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1137,1138,1139,
 &end
#
#   79 LEU  HG           77 ILE  QG2         3.50    (#   2911:25  Unique         2.36, 3.29 A
)
 &rst
  ixpk= 2911, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1137,1138,1139,
 &end
#
#   97 GLU  HB-          77 ILE  QG2         4.50    (#   2912:25  Unique         2.75, 4.78 A
)
 &rst
  ixpk= 2912, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1437,1438,
 igr2=1137,1138,1139,
 &end
#
#   14 ARG  HB-          77 ILE  QG2         5.50    (#   2913:25  Unique         6.24, 7.61 A
)
 &rst
  ixpk= 2913, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 231, 232,
 igr2=1137,1138,1139,
 &end
#
#   97 GLU  HB+          77 ILE  QG2         5.50    (#   2914:25  Unique         2.75, 4.78 A
)
 &rst
  ixpk= 2914, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1437,1438,
 igr2=1137,1138,1139,
 &end
#
#    6 PHE  HA           77 ILE  QG2         5.50    (#   2915:25  Unique         3.51, 4.32 A
)
 &rst
  ixpk= 2915, nxpk= 25, iat= 100,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1137,1138,1139,
 &end
#
#   77 ILE  HN           77 ILE  QG2         5.50    (#   2917:25  Unique         4.07, 4.38 A
)
 &rst
  ixpk= 2917, nxpk= 25, iat=1131,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1137,1138,1139,
 &end
#
#   78 SER  HN           77 ILE  QG2         4.50    (#   2918:25  Unique         2.78, 3.74 A
)
 &rst
  ixpk= 2918, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1137,1138,1139,
 &end
#
#    7 VAL  HN           78 SER  HA          4.50    (#   2919:25  Unique         2.29, 2.78 A
)
 &rst
  ixpk= 2919, nxpk= 25, iat= 118,1152, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HN           78 SER  HA          4.50    (#   2920:25  Unique         2.93, 2.97 A
)
 &rst
  ixpk= 2920, nxpk= 25, iat=1150,1152, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 PHE  HE           78 SER  HA          5.50    (#   2921:25  Unique         3.79, 5.56 A
)
 &rst
  ixpk= 2921, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1423,1427,
 &end
#
#   78 SER  HB+          78 SER  HA          3.50    (#   2922:25  Unique         2.37, 2.73 A
)
 &rst
  ixpk= 2922, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#    0 AMB  25-2:2923    78 SER  HA          4.50    (#   2923:25  Single Ambig
)
 &rst
  ixpk= 2923, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,1255,1256,1257,1259,
      1260,1261,
 &end
#
#    7 VAL  MGY          78 SER  HA          4.50    (#   2924:25  Unique         2.70, 4.57 A
)
 &rst
  ixpk= 2924, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGX          78 SER  HA          4.50    (#   2925:25  Unique         2.70, 4.57 A
)
 &rst
  ixpk= 2925, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   77 ILE  QG2          78 SER  HA          5.50    (#   2926:25  Unique         3.58, 4.92 A
)
 &rst
  ixpk= 2926, nxpk= 25, iat=  -1,1152, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1137,1138,1139,
 &end
#
#   98 ASP  HA           78 SER  HB+         4.50    (#   2927:25  Unique         2.15, 3.11 A
)
 &rst
  ixpk= 2927, nxpk= 25, iat=1450,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   98 ASP  HA           78 SER  HB-         4.50    (#   2928:25  Unique         2.15, 3.11 A
)
 &rst
  ixpk= 2928, nxpk= 25, iat=1450,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   78 SER  HA           78 SER  HB+         4.50    (#   2929:25  Unique         2.37, 2.73 A
)
 &rst
  ixpk= 2929, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#   78 SER  HA           78 SER  HB-         3.50    (#   2930:25  Unique         2.37, 2.73 A
)
 &rst
  ixpk= 2930, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1154,1155,
 &end
#
#   78 SER  HN           78 SER  HB+         4.50    (#   2933:25  Unique         2.29, 2.79 A
)
 &rst
  ixpk= 2933, nxpk= 25, iat=1150,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1154,1155,
 &end
#
#    0 AMB  25-2:2934    78 SER  HB-         3.50    (#   2934:25  Single Ambig
)
 &rst
  ixpk= 2934, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1150,1246,
 igr2=1154,1155,
 &end
#
#   99 TRP  HB+          79 LEU  HA          4.50    (#   2935:25  Unique         2.24, 3.50 A
)
 &rst
  ixpk= 2935, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1464,1465,
 &end
#
#   80 CYS  HN           79 LEU  HA          3.50    (#   2936:25  Unique         2.44, 2.82 A
)
 &rst
  ixpk= 2936, nxpk= 25, iat=1180,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HN           79 LEU  HA          4.50    (#   2937:25  Unique         2.38, 2.75 A
)
 &rst
  ixpk= 2937, nxpk= 25, iat=1460,1163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 LEU  HN           79 LEU  HA          3.50    (#   2938:25  Unique         2.93, 2.95 A
)
 &rst
  ixpk= 2938, nxpk= 25, iat=1161,1163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HB-          79 LEU  HA          4.50    (#   2939:25  Unique         2.24, 3.50 A
)
 &rst
  ixpk= 2939, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1464,1465,
 &end
#
#   79 LEU  HB-          79 LEU  HA          3.50    (#   2940:25  Unique         2.34, 2.72 A
)
 &rst
  ixpk= 2940, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1165,1166,
 &end
#
#   79 LEU  MDX          79 LEU  HA          4.50    (#   2941:25  Unique         2.32, 4.41 A
)
 &rst
  ixpk= 2941, nxpk= 25, iat=  -1,1163, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  MDX          79 LEU  HB+         4.50    (#   2942:25  Unique         2.32, 3.32 A
)
 &rst
  ixpk= 2942, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  MDX          79 LEU  HB-         3.50    (#   2943:25  Unique         2.32, 3.32 A
)
 &rst
  ixpk= 2943, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1170,1171,1172,1174,1175,1176,
 igr2=1165,1166,
 &end
#
#   79 LEU  HG           79 LEU  HB-         3.50    (#   2944:25  Unique         2.49, 2.81 A
)
 &rst
  ixpk= 2944, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1165,1166,
 &end
#
#    8 CYS  HB+          79 LEU  HB+         5.50    (#   2946:25  Unique         2.07, 3.71 A
)
 &rst
  ixpk= 2946, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 138, 139,
 igr2=1165,1166,
 &end
#
#    8 CYS  HB+          79 LEU  HB-         4.50    (#   2947:25  Unique         2.07, 3.71 A
)
 &rst
  ixpk= 2947, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 138, 139,
 igr2=1165,1166,
 &end
#
#    0 AMB  25-2:2948    79 LEU  HB-         5.50    (#   2948:25  Single Ambig
)
 &rst
  ixpk= 2948, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 253, 229,1154,1155,
 igr2=1165,1166,
 &end
#
#    0 AMB  25-2:2949    79 LEU  HB+         5.50    (#   2949:25  Double Ambig
)
 &rst
  ixpk= 2949, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 253, 229,1193,1194,1154,1155,
 igr2=1165,1166,
 &end
#
#   79 LEU  HA           79 LEU  HB-         3.50    (#   2952:25  Unique         2.34, 2.72 A
)
 &rst
  ixpk= 2952, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1165,1166,
 &end
#
#   79 LEU  HN           79 LEU  HB+         5.50    (#   2953:25  Unique         2.69, 3.37 A
)
 &rst
  ixpk= 2953, nxpk= 25, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1165,1166,
 &end
#
#   79 LEU  HN           79 LEU  HB-         4.50    (#   2954:25  Unique         2.69, 3.37 A
)
 &rst
  ixpk= 2954, nxpk= 25, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1165,1166,
 &end
#
#   79 LEU  HN           79 LEU  HG          5.50    (#   2956:25  Unique         3.22, 3.73 A
)
 &rst
  ixpk= 2956, nxpk= 25, iat=1161,1168, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HB-          79 LEU  HG          4.50    (#   2958:25  Unique         2.27, 3.42 A
)
 &rst
  ixpk= 2958, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1464,1465,
 &end
#
#    8 CYS  HB+          80 CYS  HA          5.50    (#   2962:25  Unique         2.67, 4.77 A
)
 &rst
  ixpk= 2962, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 138, 139,
 &end
#
#    8 CYS  HA           80 CYS  HA          4.50    (#   2963:25  Unique         2.33, 3.26 A
)
 &rst
  ixpk= 2963, nxpk= 25, iat= 136,1182, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HN           80 CYS  HA          4.50    (#   2965:25  Unique         2.74, 2.92 A
)
 &rst
  ixpk= 2965, nxpk= 25, iat=1180,1182, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 GLY  HN           80 CYS  HA          5.50    (#   2966:25  Unique         3.52, 3.58 A
)
 &rst
  ixpk= 2966, nxpk= 25, iat=1191,1182, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 CYS  HN           80 CYS  HB-         5.50    (#   2967:25  Unique         2.39, 3.04 A
)
 &rst
  ixpk= 2967, nxpk= 25, iat=1180,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1184,1185,
 &end
#
#   80 CYS  HA           80 CYS  HB+         3.50    (#   2968:25  Unique         2.45, 2.76 A
)
 &rst
  ixpk= 2968, nxpk= 25, iat=1182,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   80 CYS  HA           80 CYS  HB-         3.50    (#   2969:25  Unique         2.45, 2.76 A
)
 &rst
  ixpk= 2969, nxpk= 25, iat=1182,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   84 VAL  HB           80 CYS  HB+         5.50    (#   2970:25  Unique         2.11, 2.81 A
)
 &rst
  ixpk= 2970, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1184,1185,
 &end
#
#   84 VAL  HB           80 CYS  HB-         3.50    (#   2971:25  Unique         2.11, 2.81 A
)
 &rst
  ixpk= 2971, nxpk= 25, iat=1220,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1184,1185,
 &end
#
#   82 CYS  HN           81 GLY  HA+         3.50    (#   2973:25  Unique         2.42, 3.09 A
)
 &rst
  ixpk= 2973, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1193,1194,
 &end
#
#   82 CYS  HN           81 GLY  HA-         3.50    (#   2974:25  Unique         2.42, 3.09 A
)
 &rst
  ixpk= 2974, nxpk= 25, iat=1198,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1193,1194,
 &end
#
#  101 LEU  HN           81 GLY  HA+         5.50    (#   2975:25  Unique         2.40, 3.69 A
)
 &rst
  ixpk= 2975, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1193,1194,
 &end
#
#  101 LEU  HN           81 GLY  HA-         5.50    (#   2976:25  Unique         2.40, 3.69 A
)
 &rst
  ixpk= 2976, nxpk= 25, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1193,1194,
 &end
#
#   83 GLY  HA-          82 CYS  HA          5.50    (#   2979:25  Unique         4.26, 4.61 A
)
 &rst
  ixpk= 2979, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1211,1212,
 &end
#
#   84 VAL  HN           82 CYS  HA          4.50    (#   2980:25  Unique         3.11, 4.37 A
)
 &rst
  ixpk= 2980, nxpk= 25, iat=1216,1200, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 GLN  HE2+         82 CYS  HA          5.50    (#   2981:25  Unique         2.09, 3.63 A
)
 &rst
  ixpk= 2981, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1496,1497,
 &end
#
#  100 GLN  HE2-         82 CYS  HA          5.50    (#   2982:25  Unique         2.09, 3.63 A
)
 &rst
  ixpk= 2982, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1496,1497,
 &end
#
#   82 CYS  HN           82 CYS  HA          3.50    (#   2983:25  Unique         2.25, 2.81 A
)
 &rst
  ixpk= 2983, nxpk= 25, iat=1198,1200, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 GLY  HN           82 CYS  HB+         5.50    (#   2984:25  Unique         2.33, 4.00 A
)
 &rst
  ixpk= 2984, nxpk= 25, iat=1209,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1202,1203,
 &end
#
#   83 GLY  HA-          82 CYS  HB+         4.50    (#   2986:25  Unique         4.11, 5.40 A
)
 &rst
  ixpk= 2986, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1211,1212,
 igr2=1202,1203,
 &end
#
#   84 VAL  HN           83 GLY  HA-         4.50    (#   2988:25  Unique         2.64, 3.25 A
)
 &rst
  ixpk= 2988, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1211,1212,
 &end
#
#   83 GLY  HN           83 GLY  HA+         4.50    (#   2989:25  Unique         2.27, 2.59 A
)
 &rst
  ixpk= 2989, nxpk= 25, iat=1209,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1211,1212,
 &end
#
#   83 GLY  HN           83 GLY  HA-         4.50    (#   2990:25  Unique         2.27, 2.59 A
)
 &rst
  ixpk= 2990, nxpk= 25, iat=1209,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1211,1212,
 &end
#
#   85 ASN  HA           84 VAL  HA          4.50    (#   2991:25  Unique         4.29, 4.40 A
)
 &rst
  ixpk= 2991, nxpk= 25, iat=1234,1218, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 ASN  HA           84 VAL  MGY         5.50    (#   2993:25  Unique         3.62, 5.87 A
)
 &rst
  ixpk= 2993, nxpk= 25, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HN           84 VAL  MGY         4.50    (#   2994:25  Unique         2.02, 3.91 A
)
 &rst
  ixpk= 2994, nxpk= 25, iat=1216,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    0 AMB  25-2:2995    84 VAL  MGY         4.50    (#   2995:25  Single Ambig
)
 &rst
  ixpk= 2995, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1198,1232,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   86 LEU  HN           85 ASN  HA          2.80    (#   2996:25  Unique         2.12, 2.20 A
)
 &rst
  ixpk= 2996, nxpk= 25, iat=1246,1234, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 SER  HB+          98 ASP  HA          3.50    (#   2998:25  Unique         2.15, 3.11 A
)
 &rst
  ixpk= 2998, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#   78 SER  HB-          98 ASP  HA          3.50    (#   2999:25  Unique         2.15, 3.11 A
)
 &rst
  ixpk= 2999, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#   99 TRP  HB+          98 ASP  HA          5.50    (#   3000:25  Unique         4.46, 5.15 A
)
 &rst
  ixpk= 3000, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#   86 LEU  HB+          85 ASN  HA          4.50    (#   3002:25  Unique         4.22, 5.11 A
)
 &rst
  ixpk= 3002, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1250,1251,
 &end
#
#   91 VAL  MGY          85 ASN  HA          5.50    (#   3004:25  Unique         2.18, 4.84 A
)
 &rst
  ixpk= 3004, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   77 ILE  QG2          98 ASP  HA          5.50    (#   3005:25  Unique         3.87, 4.97 A
)
 &rst
  ixpk= 3005, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1137,1138,1139,
 &end
#
#   84 VAL  MGY          85 ASN  HB-         5.50    (#   3006:25  Unique         4.59, 6.58 A
)
 &rst
  ixpk= 3006, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1236,1237,
 &end
#
#    0 AMB  25-2:3007     0 AMB  25-1:3007   4.50    (#   3007:25  Double Ambig
)
 &rst
  ixpk= 3007, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,
 igr2=1236,1237,1236,1237,
 &end
#
#   85 ASN  HD2-         85 ASN  HB-         4.50    (#   3008:25  Unique         2.37, 3.44 A
)
 &rst
  ixpk= 3008, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1241,1242,
 igr2=1236,1237,
 &end
#
#   85 ASN  HD2-         85 ASN  HB+         4.50    (#   3009:25  Unique         2.37, 3.44 A
)
 &rst
  ixpk= 3009, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1241,1242,
 igr2=1236,1237,
 &end
#
#   85 ASN  HN           85 ASN  HB-         4.50    (#   3010:25  Unique         2.31, 2.88 A
)
 &rst
  ixpk= 3010, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1236,1237,
 &end
#
#   85 ASN  HN           85 ASN  HB+         3.50    (#   3011:25  Unique         2.31, 2.88 A
)
 &rst
  ixpk= 3011, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1236,1237,
 &end
#
#   86 LEU  HN           85 ASN  HB-         4.50    (#   3012:25  Unique         2.77, 4.42 A
)
 &rst
  ixpk= 3012, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1236,1237,
 &end
#
#   86 LEU  HG           86 LEU  HA          3.50    (#   3016:25  Unique         2.51, 3.12 A
)
 &rst
  ixpk= 3016, nxpk= 25, iat=1253,1248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3018    86 LEU  HA          3.50    (#   3018:25  Single Ambig
)
 &rst
  ixpk= 3018, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1255,1256,1257,1259,1260,1261,1222,1223,1224,1226,
      1227,1228, 556, 557, 558, 560, 561, 562,
 &end
#
#   65 ILE  QD1          86 LEU  HA          5.50    (#   3019:25  Unique         4.70, 6.12 A
)
 &rst
  ixpk= 3019, nxpk= 25, iat=  -1,1248, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 963, 964, 965,
 &end
#
#   91 VAL  MGY          86 LEU  HB-         4.50    (#   3020:25  Unique         2.16, 4.77 A
)
 &rst
  ixpk= 3020, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1250,1251,
 &end
#
#   90 TRP  HB-          86 LEU  HB+         4.50    (#   3021:25  Unique         2.50, 3.78 A
)
 &rst
  ixpk= 3021, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1312,1313,
 igr2=1250,1251,
 &end
#
#   90 TRP  HB-          86 LEU  HB-         3.50    (#   3022:25  Unique         2.50, 3.78 A
)
 &rst
  ixpk= 3022, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1312,1313,
 igr2=1250,1251,
 &end
#
#   88 PRO  HD-          86 LEU  HB+         3.50    (#   3023:25  Unique         2.01, 3.69 A
)
 &rst
  ixpk= 3023, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1280,1281,
 igr2=1250,1251,
 &end
#
#   88 PRO  HD+          86 LEU  HB+         4.50    (#   3024:25  Unique         2.01, 3.69 A
)
 &rst
  ixpk= 3024, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1280,1281,
 igr2=1250,1251,
 &end
#
#   88 PRO  HD+          86 LEU  HB-         4.50    (#   3025:25  Unique         2.01, 3.69 A
)
 &rst
  ixpk= 3025, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1280,1281,
 igr2=1250,1251,
 &end
#
#   86 LEU  HA           86 LEU  HB+         3.50    (#   3026:25  Unique         2.36, 2.74 A
)
 &rst
  ixpk= 3026, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   86 LEU  HN           86 LEU  HB-         3.50    (#   3027:25  Unique         2.18, 3.06 A
)
 &rst
  ixpk= 3027, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1250,1251,
 &end
#
#   36 GLY  HA+          37 LEU  HG          5.50    (#   3029:25  Unique         3.76, 4.65 A
)
 &rst
  ixpk= 3029, nxpk= 25, iat=  -1, 554, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#   86 LEU  HA           86 LEU  HG          3.50    (#   3030:25  Unique         2.51, 3.12 A
)
 &rst
  ixpk= 3030, nxpk= 25, iat=1248,1253, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  HB+          86 LEU  HG          2.80    (#   3031:25  Unique         2.37, 2.76 A
)
 &rst
  ixpk= 3031, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1250,1251,
 &end
#
#   91 VAL  MGY          86 LEU  HG          5.50    (#   3032:25  Unique         2.58, 5.58 A
)
 &rst
  ixpk= 3032, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   70 ALA  MB           89 GLU  HB-         3.50    (#   3033:25  Unique         2.30, 4.71 A
)
 &rst
  ixpk= 3033, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1297,1298,
 &end
#
#   90 TRP  HB-          86 LEU  MDX         4.50    (#   3036:25  Unique         2.24, 4.38 A
)
 &rst
  ixpk= 3036, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:3037    86 LEU  MDX         5.50    (#   3037:25  Single Ambig
)
 &rst
  ixpk= 3037, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1310,1182,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   96 PHE  HE           86 LEU  MDX         4.50    (#   3039:25  Unique         2.27, 5.93 A
)
 &rst
  ixpk= 3039, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1423,1427,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HN           86 LEU  MDX         5.50    (#   3040:25  Unique         3.10, 4.22 A
)
 &rst
  ixpk= 3040, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   78 SER  HA           86 LEU  MDY         5.50    (#   3041:25  Unique         2.90, 4.95 A
)
 &rst
  ixpk= 3041, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HA           86 LEU  MDY         4.50    (#   3043:25  Unique         2.12, 3.81 A
)
 &rst
  ixpk= 3043, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   78 SER  HB+          86 LEU  MDY         4.50    (#   3044:25  Unique         2.37, 4.84 A
)
 &rst
  ixpk= 3044, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1154,1155,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   90 TRP  HB-          86 LEU  MDY         4.50    (#   3045:25  Unique         2.24, 4.38 A
)
 &rst
  ixpk= 3045, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1312,1313,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#    7 VAL  MGX          86 LEU  MDY         4.50    (#   3046:25  Unique         2.23, 4.43 A
)
 &rst
  ixpk= 3046, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   90 TRP  HN           88 PRO  HA          4.50    (#   3047:25  Unique         3.95, 4.12 A
)
 &rst
  ixpk= 3047, nxpk= 25, iat=1308,1289, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 GLU  HN           88 PRO  HA          4.50    (#   3048:25  Unique         2.28, 2.42 A
)
 &rst
  ixpk= 3048, nxpk= 25, iat=1293,1289, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 GLU  HN           88 PRO  HB+         4.50    (#   3049:25  Unique         1.93, 2.79 A
)
 &rst
  ixpk= 3049, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1286,1287,
 &end
#
#   89 GLU  HN           88 PRO  HB-         3.50    (#   3050:25  Unique         1.93, 2.79 A
)
 &rst
  ixpk= 3050, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1286,1287,
 &end
#
#   88 PRO  HA           88 PRO  HG-         4.50    (#   3053:25  Unique         2.83, 3.92 A
)
 &rst
  ixpk= 3053, nxpk= 25, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1283,1284,
 &end
#
#   90 TRP  HD1          88 PRO  HD+         4.50    (#   3054:25  Unique         3.58, 4.83 A
)
 &rst
  ixpk= 3054, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1280,1281,
 &end
#
#   89 GLU  HN           88 PRO  HD+         5.50    (#   3055:25  Unique         5.02, 5.29 A
)
 &rst
  ixpk= 3055, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1280,1281,
 &end
#
#   65 ILE  QD1          88 PRO  HD-         4.50    (#   3056:25  Unique         3.37, 5.21 A
)
 &rst
  ixpk= 3056, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 963, 964, 965,
 igr2=1280,1281,
 &end
#
#   86 LEU  MDX          88 PRO  HD-         4.50    (#   3057:25  Unique         2.62, 5.37 A
)
 &rst
  ixpk= 3057, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1280,1281,
 &end
#
#   86 LEU  HB+          88 PRO  HD-         4.50    (#   3058:25  Unique         2.01, 3.69 A
)
 &rst
  ixpk= 3058, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1250,1251,
 igr2=1280,1281,
 &end
#
#    0 AMB  25-2:3059    88 PRO  HD-         3.50    (#   3059:25  Single Ambig
)
 &rst
  ixpk= 3059, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1283,1284,1283,1284,
 igr2=1280,1281,
 &end
#
#   90 TRP  HB-          88 PRO  HD-         5.50    (#   3061:25  Unique         3.60, 5.55 A
)
 &rst
  ixpk= 3061, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1312,1313,
 igr2=1280,1281,
 &end
#
#   90 TRP  HD1          88 PRO  HD-         4.50    (#   3062:25  Unique         3.58, 4.83 A
)
 &rst
  ixpk= 3062, nxpk= 25, iat=1316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1280,1281,
 &end
#
#   92 THR  MG2          89 GLU  HA          3.50    (#   3063:25  Unique         2.27, 3.73 A
)
 &rst
  ixpk= 3063, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1354,1355,1356,
 &end
#
#   91 VAL  MGX          89 GLU  HA          5.50    (#   3064:25  Unique         2.95, 5.76 A
)
 &rst
  ixpk= 3064, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   93 GLN  HE2+         89 GLU  HA          5.50    (#   3065:25  Unique         3.71, 4.83 A
)
 &rst
  ixpk= 3065, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#    0 AMB  25-2:3066    89 GLU  HA          3.50    (#   3066:25  Single Ambig
)
 &rst
  ixpk= 3066, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1348,1332,
 &end
#
#   90 TRP  HN           89 GLU  HA          3.50    (#   3067:25  Unique         3.25, 3.34 A
)
 &rst
  ixpk= 3067, nxpk= 25, iat=1308,1295, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HN           89 GLU  HB+         5.50    (#   3068:25  Unique         3.29, 3.90 A
)
 &rst
  ixpk= 3068, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1297,1298,
 &end
#
#  107 GLN  HE2+        102 GLU  HG+         5.50    (#   3072:25  Unique         5.93, 6.86 A
)
 &rst
  ixpk= 3072, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1592,1593,
 igr2=1527,1528,
 &end
#
#   96 PHE  HB-          91 VAL  HA          4.50    (#   3075:25  Unique         3.08, 3.93 A
)
 &rst
  ixpk= 3075, nxpk= 25, iat=  -1,1334, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1417,1418,
 &end
#
#   91 VAL  HN           91 VAL  HB          4.50    (#   3076:25  Unique         2.14, 2.51 A
)
 &rst
  ixpk= 3076, nxpk= 25, iat=1332,1336, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3077    91 VAL  HB          4.50    (#   3077:25  Single Ambig
)
 &rst
  ixpk= 3077, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1423,1427,1421,1429,
 &end
#
#   90 TRP  HN           91 VAL  MGX         5.50    (#   3078:25  Unique         3.78, 6.16 A
)
 &rst
  ixpk= 3078, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    0 AMB  25-2:3080    91 VAL  MGX         5.50    (#   3080:25  Single Ambig
)
 &rst
  ixpk= 3080, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1352,1350,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HB-          91 VAL  MGX         5.50    (#   3082:25  Unique         3.60, 6.38 A
)
 &rst
  ixpk= 3082, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   96 PHE  HB-          91 VAL  MGY         5.50    (#   3084:25  Unique         3.73, 6.05 A
)
 &rst
  ixpk= 3084, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1417,1418,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HB-          91 VAL  MGY         5.50    (#   3085:25  Unique         3.60, 6.38 A
)
 &rst
  ixpk= 3085, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    0 AMB  25-2:3086    91 VAL  MGY         5.50    (#   3086:25  Single Ambig
)
 &rst
  ixpk= 3086, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1312,1313,1280,1281,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   86 LEU  HN           91 VAL  MGY         5.50    (#   3089:25  Unique         2.06, 4.49 A
)
 &rst
  ixpk= 3089, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#    0 AMB  25-2:3090    92 THR  HB          4.50    (#   3090:25  Single Ambig
)
 &rst
  ixpk= 3090, nxpk= 25, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1348,1332,
 &end
#
#   89 GLU  HA           92 THR  MG2         4.50    (#   3091:25  Unique         2.27, 3.73 A
)
 &rst
  ixpk= 3091, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1354,1355,1356,
 &end
#
#   94 GLU  HB-          93 GLN  HA          5.50    (#   3092:25  Unique         4.51, 5.18 A
)
 &rst
  ixpk= 3092, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1383,1384,
 &end
#
#   93 GLN  HE2+         93 GLN  HA          4.50    (#   3093:25  Unique         3.18, 3.82 A
)
 &rst
  ixpk= 3093, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   93 GLN  HE2-         93 GLN  HA          5.50    (#   3094:25  Unique         3.18, 3.82 A
)
 &rst
  ixpk= 3094, nxpk= 25, iat=  -1,1364, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#   93 GLN  HN           93 GLN  HB+         4.50    (#   3095:25  Unique         2.23, 3.06 A
)
 &rst
  ixpk= 3095, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1366,1367,
 &end
#
#   94 GLU  HB-          93 GLN  HB+         5.50    (#   3096:25  Unique         4.11, 5.00 A
)
 &rst
  ixpk= 3096, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1383,1384,
 igr2=1366,1367,
 &end
#
#   93 GLN  HG-          93 GLN  HB+         3.50    (#   3097:25  Unique         2.37, 2.60 A
)
 &rst
  ixpk= 3097, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1366,1367,
 &end
#
#    0 AMB  25-2:3098     0 AMB  25-1:3098   2.80    (#   3098:25  Double Ambig
)
 &rst
  ixpk= 3098, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1366,1367,1070,1071,
 igr2=1369,1370,1369,1370,
 &end
#
#   93 GLN  HE2+         93 GLN  HG+         4.50    (#   3099:25  Unique         2.21, 3.24 A
)
 &rst
  ixpk= 3099, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1374,1375,
 igr2=1369,1370,
 &end
#
#    0 AMB  25-2:3100     0 AMB  25-1:3100   5.50    (#   3100:25  Double Ambig
)
 &rst
  ixpk= 3100, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1066,1054,
 igr2=1369,1370,1369,1370,
 &end
#
#   95 ILE  HN           94 GLU  HA          3.50    (#   3101:25  Unique         3.52, 3.55 A
)
 &rst
  ixpk= 3101, nxpk= 25, iat=1394,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HB           94 GLU  HA          5.50    (#   3102:25  Unique         5.59, 5.62 A
)
 &rst
  ixpk= 3102, nxpk= 25, iat=1398,1381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 ASP  HA           94 GLU  HB+         5.50    (#   3104:25  Unique         3.51, 4.06 A
)
 &rst
  ixpk= 3104, nxpk= 25, iat=1089,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1383,1384,
 &end
#
#   74 ASP  HA           94 GLU  HB-         5.50    (#   3105:25  Unique         3.51, 4.06 A
)
 &rst
  ixpk= 3105, nxpk= 25, iat=1089,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1383,1384,
 &end
#
#   95 ILE  HN           94 GLU  HB+         3.50    (#   3106:25  Unique         2.74, 3.37 A
)
 &rst
  ixpk= 3106, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1383,1384,
 &end
#
#   95 ILE  HN           94 GLU  HB-         4.50    (#   3107:25  Unique         2.74, 3.37 A
)
 &rst
  ixpk= 3107, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1383,1384,
 &end
#
#   95 ILE  HG1+         95 ILE  HA          2.80    (#   3108:25  Unique         2.27, 2.74 A
)
 &rst
  ixpk= 3108, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   76 VAL  HN           95 ILE  HB          3.50    (#   3110:25  Unique         3.52, 3.55 A
)
 &rst
  ixpk= 3110, nxpk= 25, iat=1115,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HG1-         95 ILE  HB          2.80    (#   3114:25  Unique         2.35, 2.70 A
)
 &rst
  ixpk= 3114, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   95 ILE  HG1+         95 ILE  HB          2.80    (#   3115:25  Unique         2.35, 2.70 A
)
 &rst
  ixpk= 3115, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   75 VAL  MGY          95 ILE  HB          2.80    (#   3116:25  Unique         2.15, 3.71 A
)
 &rst
  ixpk= 3116, nxpk= 25, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  25-2:3117     0 AMB  25-1:3117   3.50    (#   3117:25  Double Ambig
)
 &rst
  ixpk= 3117, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1386,1387,1383,1384,
 igr2=1404,1405,1404,1405,
 &end
#
#   94 GLU  HB+          95 ILE  HG1+        4.50    (#   3118:25  Unique         2.69, 4.22 A
)
 &rst
  ixpk= 3118, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1383,1384,
 igr2=1404,1405,
 &end
#
#   94 GLU  HB+          95 ILE  HG1-        2.80    (#   3119:25  Unique         2.69, 4.22 A
)
 &rst
  ixpk= 3119, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1383,1384,
 igr2=1404,1405,
 &end
#
#   95 ILE  HN           95 ILE  HG1-        4.50    (#   3120:25  Unique         3.02, 3.53 A
)
 &rst
  ixpk= 3120, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   95 ILE  HN           95 ILE  HG1+        5.50    (#   3121:25  Unique         3.02, 3.53 A
)
 &rst
  ixpk= 3121, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1404,1405,
 &end
#
#    0 AMB  25-2:3122     0 AMB  25-1:3122   5.50    (#   3122:25  Double Ambig
)
 &rst
  ixpk= 3122, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1413,1379,
 igr2=1404,1405,1404,1405,
 &end
#
#    0 AMB  25-2:3123    95 ILE  QD1         5.50    (#   3123:25  Single Ambig
)
 &rst
  ixpk= 3123, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1413,1379,
 igr2=1407,1408,1409,
 &end
#
#   95 ILE  HN           95 ILE  QD1         5.50    (#   3124:25  Unique         4.86, 5.31 A
)
 &rst
  ixpk= 3124, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1407,1408,1409,
 &end
#
#   95 ILE  HA           95 ILE  QD1         3.50    (#   3125:25  Unique         4.01, 4.45 A
)
 &rst
  ixpk= 3125, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1407,1408,1409,
 &end
#
#  126 LEU  HB+          95 ILE  QD1         4.50    (#   3127:25  Unique         4.48, 6.41 A
)
 &rst
  ixpk= 3127, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1906,1907,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  25-2:3128    95 ILE  QD1         4.50    (#   3128:25  Single Ambig
)
 &rst
  ixpk= 3128, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1386,1387,1383,1384,
 igr2=1407,1408,1409,
 &end
#
#   95 ILE  HN           95 ILE  QG2         4.50    (#   3129:25  Unique         4.32, 4.70 A
)
 &rst
  ixpk= 3129, nxpk= 25, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1400,1401,1402,
 &end
#
#   97 GLU  HN           95 ILE  QG2         5.50    (#   3130:25  Unique         4.20, 5.44 A
)
 &rst
  ixpk= 3130, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1400,1401,1402,
 &end
#
#   77 ILE  QD1          96 PHE  HA          5.50    (#   3132:25  Unique         2.55, 4.05 A
)
 &rst
  ixpk= 3132, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1144,1145,1146,
 &end
#
#    0 AMB  25-2:3133    96 PHE  HA          4.50    (#   3133:25  Single Ambig
)
 &rst
  ixpk= 3133, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
 &end
#
#   76 VAL  HB           96 PHE  HA          5.50    (#   3134:25  Unique         3.98, 4.59 A
)
 &rst
  ixpk= 3134, nxpk= 25, iat=1119,1415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 PHE  HB-          96 PHE  HA          3.50    (#   3135:25  Unique         2.42, 2.75 A
)
 &rst
  ixpk= 3135, nxpk= 25, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   96 PHE  HN           96 PHE  HA          3.50    (#   3137:25  Unique         2.85, 2.87 A
)
 &rst
  ixpk= 3137, nxpk= 25, iat=1413,1415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 PHE  HN           96 PHE  HB+         3.50    (#   3138:25  Unique         2.85, 3.19 A
)
 &rst
  ixpk= 3138, nxpk= 25, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   97 GLU  HN           96 PHE  HB+         5.50    (#   3139:25  Unique         3.92, 3.99 A
)
 &rst
  ixpk= 3139, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1417,1418,
 &end
#
#   97 GLU  HN           96 PHE  HB-         4.50    (#   3140:25  Unique         3.92, 3.99 A
)
 &rst
  ixpk= 3140, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1417,1418,
 &end
#
#   96 PHE  HA           96 PHE  HB-         3.50    (#   3141:25  Unique         2.42, 2.75 A
)
 &rst
  ixpk= 3141, nxpk= 25, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   91 VAL  HA           96 PHE  HB+         3.50    (#   3143:25  Unique         3.08, 3.93 A
)
 &rst
  ixpk= 3143, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#   95 ILE  HA           96 PHE  HB+         5.50    (#   3144:25  Unique         4.54, 4.69 A
)
 &rst
  ixpk= 3144, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1417,1418,
 &end
#
#   91 VAL  HA           96 PHE  HB-         3.50    (#   3146:25  Unique         3.08, 3.93 A
)
 &rst
  ixpk= 3146, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1417,1418,
 &end
#
#    0 AMB  25-2:3147     0 AMB  25-1:3147   5.50    (#   3147:25  Double Ambig
)
 &rst
  ixpk= 3147, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1336,1404,1405,
 igr2=1417,1418,1417,1418,
 &end
#
#    0 AMB  25-2:3148    96 PHE  HB-         5.50    (#   3148:25  Single Ambig
)
 &rst
  ixpk= 3148, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1336,1404,1405,
 igr2=1417,1418,
 &end
#
#   77 ILE  QD1          97 GLU  HA          4.50    (#   3149:25  Unique         4.47, 5.41 A
)
 &rst
  ixpk= 3149, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1144,1145,1146,
 &end
#
#   98 ASP  HB+          97 GLU  HA          4.50    (#   3150:25  Unique         4.48, 4.74 A
)
 &rst
  ixpk= 3150, nxpk= 25, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1452,1453,
 &end
#
#   96 PHE  HA           97 GLU  HA          5.50    (#   3151:25  Unique         4.46, 4.53 A
)
 &rst
  ixpk= 3151, nxpk= 25, iat=1415,1435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HE1          97 GLU  HA          5.50    (#   3152:25  Unique         4.94, 5.32 A
)
 &rst
  ixpk= 3152, nxpk= 25, iat=1470,1435, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 ASP  HN           97 GLU  HB+         4.50    (#   3153:25  Unique         2.41, 3.28 A
)
 &rst
  ixpk= 3153, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1437,1438,
 &end
#
#   98 ASP  HN           97 GLU  HB-         4.50    (#   3154:25  Unique         2.41, 3.28 A
)
 &rst
  ixpk= 3154, nxpk= 25, iat=1448,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1437,1438,
 &end
#
#   97 GLU  HN           97 GLU  HB+         5.50    (#   3155:25  Unique         2.85, 3.35 A
)
 &rst
  ixpk= 3155, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1437,1438,
 &end
#
#   97 GLU  HN           97 GLU  HB-         4.50    (#   3156:25  Unique         2.85, 3.35 A
)
 &rst
  ixpk= 3156, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1437,1438,
 &end
#
#   99 TRP  HD1          97 GLU  HB+         4.50    (#   3157:25  Unique         2.24, 3.00 A
)
 &rst
  ixpk= 3157, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1437,1438,
 &end
#
#   99 TRP  HD1          97 GLU  HB-         4.50    (#   3158:25  Unique         2.24, 3.00 A
)
 &rst
  ixpk= 3158, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1437,1438,
 &end
#
#   22 ALA  MB           32 VAL  HB          3.50    (#   3159:25  Unique         2.57, 3.30 A
)
 &rst
  ixpk= 3159, nxpk= 25, iat=  -1, 492, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 352, 353, 354,
 &end
#
#   77 ILE  QG2          97 GLU  HB+         5.50    (#   3160:25  Unique         2.75, 4.78 A
)
 &rst
  ixpk= 3160, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1137,1138,1139,
 igr2=1437,1438,
 &end
#
#   77 ILE  QG2          97 GLU  HB-         4.50    (#   3161:25  Unique         2.75, 4.78 A
)
 &rst
  ixpk= 3161, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2=1437,1438,
 &end
#
#   77 ILE  QD1          97 GLU  HG+         3.50    (#   3162:25  Unique         3.45, 4.85 A
)
 &rst
  ixpk= 3162, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1144,1145,1146,
 igr2=1440,1441,
 &end
#
#   97 GLU  HB-          97 GLU  HG-         3.50    (#   3163:25  Unique         2.32, 2.73 A
)
 &rst
  ixpk= 3163, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1437,1438,
 igr2=1440,1441,
 &end
#
#   97 GLU  HN           97 GLU  HG+         4.50    (#   3164:25  Unique         3.70, 4.20 A
)
 &rst
  ixpk= 3164, nxpk= 25, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1440,1441,
 &end
#
#    0 AMB  25-2:3165     0 AMB  25-1:3165   4.50    (#   3165:25  Double Ambig
)
 &rst
  ixpk= 3165, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1448,1413,
 igr2=1440,1441,1440,1441,
 &end
#
#   99 TRP  HE1          97 GLU  HG+         4.50    (#   3166:25  Unique         3.05, 4.30 A
)
 &rst
  ixpk= 3166, nxpk= 25, iat=1470,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1440,1441,
 &end
#
#   78 SER  HB+          98 ASP  HB+         4.50    (#   3167:25  Unique         2.33, 4.11 A
)
 &rst
  ixpk= 3167, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1154,1155,
 igr2=1452,1453,
 &end
#
#  126 LEU  HA          126 LEU  HB+         3.50    (#   3168:25  Unique         2.16, 2.42 A
)
 &rst
  ixpk= 3168, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#   96 PHE  HE           98 ASP  HB+         3.50    (#   3169:25  Unique         2.60, 4.41 A
)
 &rst
  ixpk= 3169, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1423,1427,
 igr2=1452,1453,
 &end
#
#   99 TRP  HN           98 ASP  HB+         5.50    (#   3170:25  Unique         4.10, 4.41 A
)
 &rst
  ixpk= 3170, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1452,1453,
 &end
#
#   99 TRP  HN           98 ASP  HB-         5.50    (#   3171:25  Unique         4.10, 4.41 A
)
 &rst
  ixpk= 3171, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1452,1453,
 &end
#
#   99 TRP  HE1          99 TRP  HA          5.50    (#   3172:25  Unique         4.79, 4.98 A
)
 &rst
  ixpk= 3172, nxpk= 25, iat=1470,1462, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HN           99 TRP  HA          3.50    (#   3173:25  Unique         2.87, 2.92 A
)
 &rst
  ixpk= 3173, nxpk= 25, iat=1460,1462, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  25-2:3176    99 TRP  HA          3.50    (#   3176:25  Single Ambig
)
 &rst
  ixpk= 3176, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,1488,1489,
 &end
#
#  101 LEU  HB+          99 TRP  HA          5.50    (#   3177:25  Unique         5.71, 6.53 A
)
 &rst
  ixpk= 3177, nxpk= 25, iat=  -1,1462, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1505,1506,
 &end
#
#    0 AMB  25-2:3179     0 AMB  25-1:3179   4.50    (#   3179:25  Double Ambig
)
 &rst
  ixpk= 3179, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1168,1840,1841,
 igr2=1464,1465,1464,1465,
 &end
#
#   79 LEU  HG           99 TRP  HB-         4.50    (#   3180:25  Unique         2.27, 3.42 A
)
 &rst
  ixpk= 3180, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#  101 LEU  HB+          99 TRP  HB+         4.50    (#   3181:25  Unique         4.01, 5.20 A
)
 &rst
  ixpk= 3181, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1505,1506,
 igr2=1464,1465,
 &end
#
#  101 LEU  HB+          99 TRP  HB-         4.50    (#   3182:25  Unique         4.01, 5.20 A
)
 &rst
  ixpk= 3182, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1505,1506,
 igr2=1464,1465,
 &end
#
#   14 ARG  HB-          99 TRP  HB+         4.50    (#   3183:25  Unique         4.92, 6.12 A
)
 &rst
  ixpk= 3183, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 231, 232,
 igr2=1464,1465,
 &end
#
#  122 ARG  HD+          99 TRP  HB+         5.50    (#   3184:25  Unique         2.23, 4.28 A
)
 &rst
  ixpk= 3184, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1843,1844,
 igr2=1464,1465,
 &end
#
#   99 TRP  HA           99 TRP  HB+         4.50    (#   3185:25  Unique         2.37, 2.74 A
)
 &rst
  ixpk= 3185, nxpk= 25, iat=1462,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   99 TRP  HA           99 TRP  HB-         3.50    (#   3186:25  Unique         2.37, 2.74 A
)
 &rst
  ixpk= 3186, nxpk= 25, iat=1462,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1464,1465,
 &end
#
#   99 TRP  HD1          99 TRP  HB+         5.50    (#   3187:25  Unique         2.50, 3.62 A
)
 &rst
  ixpk= 3187, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1464,1465,
 &end
#
#   99 TRP  HD1          99 TRP  HB-         5.50    (#   3188:25  Unique         2.50, 3.62 A
)
 &rst
  ixpk= 3188, nxpk= 25, iat=1468,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1464,1465,
 &end
#
#   99 TRP  HN           99 TRP  HB+         3.50    (#   3191:25  Unique         2.40, 3.05 A
)
 &rst
  ixpk= 3191, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1464,1465,
 &end
#
#   99 TRP  HN           99 TRP  HB-         4.50    (#   3192:25  Unique         2.40, 3.05 A
)
 &rst
  ixpk= 3192, nxpk= 25, iat=1460,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1464,1465,
 &end
#
#   81 GLY  HA-         100 GLN  HA          3.50    (#   3193:25  Unique         2.00, 2.72 A
)
 &rst
  ixpk= 3193, nxpk= 25, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1193,1194,
 &end
#
#  100 GLN  HB+         100 GLN  HG-         2.80    (#   3194:25  Unique         2.33, 2.77 A
)
 &rst
  ixpk= 3194, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1488,1489,
 igr2=1491,1492,
 &end
#
#  100 GLN  HE2+        100 GLN  HG+         5.50    (#   3195:25  Unique         2.29, 3.46 A
)
 &rst
  ixpk= 3195, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#  100 GLN  HE2+        100 GLN  HG-         5.50    (#   3196:25  Unique         2.29, 3.46 A
)
 &rst
  ixpk= 3196, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1491,1492,
 &end
#
#  100 GLN  HN          100 GLN  HG-         5.50    (#   3198:25  Unique         4.34, 4.48 A
)
 &rst
  ixpk= 3198, nxpk= 25, iat=1484,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1491,1492,
 &end
#
#  102 GLU  HG+         101 LEU  HA          4.50    (#   3199:25  Unique         3.47, 4.34 A
)
 &rst
  ixpk= 3199, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1527,1528,
 &end
#
#  102 GLU  HB+         101 LEU  HA          4.50    (#   3200:25  Unique         4.47, 5.12 A
)
 &rst
  ixpk= 3200, nxpk= 25, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1524,1525,
 &end
#
#    0 AMB  25-2:3201     0 AMB  25-1:3201   4.50    (#   3201:25  Double Ambig
)
 &rst
  ixpk= 3201, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1=1786,1787,1788,1790,1791,1792,1551,1552,
 igr2=1505,1506,1505,1506,
 &end
#
#  103 ASP  HB+         101 LEU  HB+         4.50    (#   3202:25  Unique         6.07, 6.76 A
)
 &rst
  ixpk= 3202, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1539,1540,
 igr2=1505,1506,
 &end
#
#    0 AMB  25-2:3203     0 AMB  25-1:3203   4.50    (#   3203:25  Double Ambig
)
 &rst
  ixpk= 3203, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1193,1194, 229,
 igr2=1505,1506,1505,1506,
 &end
#
#  100 GLN  HA          101 LEU  HB+         5.50    (#   3204:25  Unique         4.35, 5.11 A
)
 &rst
  ixpk= 3204, nxpk= 25, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1505,1506,
 &end
#
#    0 AMB  25-2:3205     0 AMB  25-1:3205   4.50    (#   3205:25  Double Ambig
)
 &rst
  ixpk= 3205, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1718, 281,
 igr2=1508, 855, 856,
 &end
#
#  101 LEU  HN          101 LEU  HG          5.50    (#   3207:25  Unique         3.58, 4.69 A
)
 &rst
  ixpk= 3207, nxpk= 25, iat=1501,1508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 VAL  HN          101 LEU  HG          5.50    (#   3208:25  Unique         3.60, 4.06 A
)
 &rst
  ixpk= 3208, nxpk= 25, iat=1780,1508, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HB-         101 LEU  MDX         4.50    (#   3209:25  Unique         2.18, 4.94 A
)
 &rst
  ixpk= 3209, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1464,1465,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  119 VAL  HA          101 LEU  MDX         4.50    (#   3210:25  Unique         3.21, 5.41 A
)
 &rst
  ixpk= 3210, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1510,1511,1512,1514,1515,1516,
 &end
#
#  103 ASP  HN          102 GLU  HB+         4.50    (#   3212:25  Unique         4.04, 4.34 A
)
 &rst
  ixpk= 3212, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1524,1525,
 &end
#
#  103 ASP  HN          102 GLU  HB-         4.50    (#   3213:25  Unique         4.04, 4.34 A
)
 &rst
  ixpk= 3213, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1524,1525,
 &end
#
#  111 VAL  MGX         102 GLU  HG+         4.50    (#   3214:25  Unique         3.76, 5.89 A
)
 &rst
  ixpk= 3214, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1527,1528,
 &end
#
#  102 GLU  HB-         102 GLU  HG+         2.80    (#   3215:25  Unique         2.25, 2.72 A
)
 &rst
  ixpk= 3215, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1524,1525,
 igr2=1527,1528,
 &end
#
#    0 AMB  25-2:3216     0 AMB  25-1:3216   2.80    (#   3216:25  Double Ambig
)
 &rst
  ixpk= 3216, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1297,1298,1524,1525,
 igr2=1300,1301,1527,1528,
 &end
#
#  105 ASP  HN          103 ASP  HA          5.50    (#   3217:25  Unique         3.76, 3.84 A
)
 &rst
  ixpk= 3217, nxpk= 25, iat=1561,1537, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLU  HA          103 ASP  HA          4.50    (#   3218:25  Unique         4.46, 4.54 A
)
 &rst
  ixpk= 3218, nxpk= 25, iat=1522,1537, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3219   103 ASP  HA          4.50    (#   3219:25  Single Ambig
)
 &rst
  ixpk= 3219, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 229,1193,1194,
 &end
#
#    0 AMB  25-2:3220   103 ASP  HA          4.50    (#   3220:25  Single Ambig
)
 &rst
  ixpk= 3220, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 231, 232,1524,1525,
 &end
#
#   10 ARG  HG+         103 ASP  HA          5.50    (#   3221:25  Unique         5.61, 6.17 A
)
 &rst
  ixpk= 3221, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 174, 175,
 &end
#
#  104 PRO  HG-         103 ASP  HA          4.50    (#   3222:25  Unique         4.32, 4.51 A
)
 &rst
  ixpk= 3222, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  104 PRO  HG+         103 ASP  HA          4.50    (#   3223:25  Unique         4.32, 4.51 A
)
 &rst
  ixpk= 3223, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#    0 AMB  25-2:3224   103 ASP  HA          3.50    (#   3224:25  Single Ambig
)
 &rst
  ixpk= 3224, nxpk= 25, iat=  -1,1537, r1= 0.00, r2= 1.80, r3= 5.43, r4= 6.18,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,1554,1555,
 &end
#
#  107 GLN  HE2-        104 PRO  HA          5.50    (#   3226:25  Unique         3.58, 4.38 A
)
 &rst
  ixpk= 3226, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1592,1593,
 &end
#
#  104 PRO  HG+         104 PRO  HA          5.50    (#   3227:25  Unique         2.72, 3.32 A
)
 &rst
  ixpk= 3227, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1551,1552,
 &end
#
#  104 PRO  HG-         104 PRO  HA          4.50    (#   3228:25  Unique         2.72, 3.32 A
)
 &rst
  ixpk= 3228, nxpk= 25, iat=  -1,1557, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  104 PRO  HD+         104 PRO  HB+         4.50    (#   3229:25  Unique         2.83, 3.72 A
)
 &rst
  ixpk= 3229, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2=1554,1555,
 &end
#
#  104 PRO  HD+         104 PRO  HB-         4.50    (#   3230:25  Unique         2.83, 3.72 A
)
 &rst
  ixpk= 3230, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2=1554,1555,
 &end
#
#  112 PHE  HD          104 PRO  HB-         4.50    (#   3231:25  Unique         2.97, 4.22 A
)
 &rst
  ixpk= 3231, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1666,1674,
 igr2=1554,1555,
 &end
#
#  112 PHE  HA          104 PRO  HB+         4.50    (#   3232:25  Unique         2.56, 3.62 A
)
 &rst
  ixpk= 3232, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1554,1555,
 &end
#
#  112 PHE  HA          104 PRO  HB-         4.50    (#   3233:25  Unique         2.56, 3.62 A
)
 &rst
  ixpk= 3233, nxpk= 25, iat=1660,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1554,1555,
 &end
#
#    0 AMB  25-2:3235   104 PRO  HB-         5.50    (#   3235:25  Single Ambig
)
 &rst
  ixpk= 3235, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1584,1585,1587,1588,
 igr2=1554,1555,
 &end
#
#    0 AMB  25-2:3236   104 PRO  HB-         5.50    (#   3236:25  Single Ambig
)
 &rst
  ixpk= 3236, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1587,1588,1646,
 igr2=1554,1555,
 &end
#
#  104 PRO  HG+         104 PRO  HB+         3.50    (#   3237:25  Unique         2.32, 2.61 A
)
 &rst
  ixpk= 3237, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1551,1552,
 igr2=1554,1555,
 &end
#
#  111 VAL  MGX         104 PRO  HB+         3.50    (#   3238:25  Unique         3.77, 6.81 A
)
 &rst
  ixpk= 3238, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1554,1555,
 &end
#
#  111 VAL  MGX         104 PRO  HB-         4.50    (#   3239:25  Unique         3.77, 6.81 A
)
 &rst
  ixpk= 3239, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1554,1555,
 &end
#
#  104 PRO  HB-         104 PRO  HG+         3.50    (#   3240:25  Unique         2.32, 2.61 A
)
 &rst
  ixpk= 3240, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1551,1552,
 &end
#
#  104 PRO  HB-         104 PRO  HG-         3.50    (#   3241:25  Unique         2.32, 2.61 A
)
 &rst
  ixpk= 3241, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1554,1555,
 igr2=1551,1552,
 &end
#
#  103 ASP  HN          104 PRO  HD+         5.50    (#   3244:25  Unique         3.25, 4.07 A
)
 &rst
  ixpk= 3244, nxpk= 25, iat=1535,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1548,1549,
 &end
#
#  105 ASP  HN          104 PRO  HD+         4.50    (#   3245:25  Unique         3.45, 3.98 A
)
 &rst
  ixpk= 3245, nxpk= 25, iat=1561,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#   14 ARG  HA          104 PRO  HD+         3.50    (#   3246:25  Unique         3.33, 3.95 A
)
 &rst
  ixpk= 3246, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1548,1549,
 &end
#
#  102 GLU  HA          104 PRO  HD+         4.50    (#   3247:25  Unique         4.72, 5.54 A
)
 &rst
  ixpk= 3247, nxpk= 25, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#   13 CYS  HB-         104 PRO  HD+         3.50    (#   3248:25  Unique         2.05, 3.65 A
)
 &rst
  ixpk= 3248, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 220, 221,
 igr2=1548,1549,
 &end
#
#  105 ASP  HB-         104 PRO  HD+         5.50    (#   3249:25  Unique         4.89, 6.08 A
)
 &rst
  ixpk= 3249, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1565,1566,
 igr2=1548,1549,
 &end
#
#    0 AMB  25-2:3250     0 AMB  25-1:3250   5.50    (#   3250:25  Double Ambig
)
 &rst
  ixpk= 3250, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1= 290, 291, 292,1587,1588, 283, 284,
 igr2=1548,1549,1548,1549,1548,1549,
 &end
#
#    0 AMB  25-2:3251     0 AMB  25-1:3251   3.50    (#   3251:25  Double Ambig
)
 &rst
  ixpk= 3251, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 231, 232,1524,1525,
 igr2=1548,1549,1548,1549,
 &end
#
#   10 ARG  HG+         104 PRO  HD+         5.50    (#   3252:25  Unique         6.12, 7.21 A
)
 &rst
  ixpk= 3252, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 174, 175,
 igr2=1548,1549,
 &end
#
#  104 PRO  HB-         104 PRO  HD+         4.50    (#   3253:25  Unique         2.83, 3.72 A
)
 &rst
  ixpk= 3253, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1554,1555,
 igr2=1548,1549,
 &end
#
#    0 AMB  25-2:3254   105 ASP  HA          4.50    (#   3254:25  Single Ambig
)
 &rst
  ixpk= 3254, nxpk= 25, iat=  -1,1563, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1575,1576,1557,
 &end
#
#  112 PHE  HZ          105 ASP  HA          4.50    (#   3256:25  Unique         3.17, 3.63 A
)
 &rst
  ixpk= 3256, nxpk= 25, iat=1670,1563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  107 GLN  HN          105 ASP  HA          4.50    (#   3257:25  Unique         3.99, 4.08 A
)
 &rst
  ixpk= 3257, nxpk= 25, iat=1580,1563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  107 GLN  HN          107 GLN  HB+         4.50    (#   3260:25  Unique         2.53, 3.12 A
)
 &rst
  ixpk= 3260, nxpk= 25, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1584,1585,
 &end
#
#  104 PRO  HA          107 GLN  HB-         3.50    (#   3262:25  Unique         2.81, 3.43 A
)
 &rst
  ixpk= 3262, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1584,1585,
 &end
#
#  104 PRO  HA          107 GLN  HB+         4.50    (#   3263:25  Unique         2.81, 3.43 A
)
 &rst
  ixpk= 3263, nxpk= 25, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1584,1585,
 &end
#
#  111 VAL  MGY         107 GLN  HB+         3.50    (#   3264:25  Unique         2.56, 3.84 A
)
 &rst
  ixpk= 3264, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#  111 VAL  MGX         107 GLN  HB+         3.50    (#   3265:25  Unique         2.56, 3.84 A
)
 &rst
  ixpk= 3265, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1584,1585,
 &end
#
#  108 SER  HN          107 GLN  HG+         4.50    (#   3266:25  Unique         4.40, 4.60 A
)
 &rst
  ixpk= 3266, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1587,1588,
 &end
#
#  107 GLN  HE2-        107 GLN  HG+         4.50    (#   3267:25  Unique         2.42, 3.08 A
)
 &rst
  ixpk= 3267, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1592,1593,
 igr2=1587,1588,
 &end
#
#  111 VAL  MGY         107 GLN  HG+         3.50    (#   3268:25  Unique         2.30, 4.68 A
)
 &rst
  ixpk= 3268, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1587,1588,
 &end
#
#  109 LEU  HN          108 SER  HB+         3.50    (#   3270:25  Unique         2.75, 3.33 A
)
 &rst
  ixpk= 3270, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:3271   108 SER  HB-         5.50    (#   3271:25  Single Ambig
)
 &rst
  ixpk= 3271, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1631,1632,1584,1585,
 igr2=1601,1602,
 &end
#
#    0 AMB  25-2:3272   108 SER  HB-         5.50    (#   3272:25  Single Ambig
)
 &rst
  ixpk= 3272, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1612,1613,1615,
 igr2=1601,1602,
 &end
#
#  107 GLN  HG+         108 SER  HB-         5.50    (#   3273:25  Unique         6.25, 7.28 A
)
 &rst
  ixpk= 3273, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1587,1588,
 igr2=1601,1602,
 &end
#
#  111 VAL  MGY         108 SER  HB-         5.50    (#   3274:25  Unique         2.34, 5.34 A
)
 &rst
  ixpk= 3274, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1601,1602,
 &end
#
#  109 LEU  HN          109 LEU  HB-         4.50    (#   3275:25  Unique         2.45, 3.05 A
)
 &rst
  ixpk= 3275, nxpk= 25, iat=1608,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1612,1613,
 &end
#
#  110 GLU  HN          109 LEU  HB+         3.50    (#   3276:25  Unique         2.76, 3.34 A
)
 &rst
  ixpk= 3276, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1612,1613,
 &end
#
#  110 GLU  HN          109 LEU  HB-         4.50    (#   3277:25  Unique         2.76, 3.34 A
)
 &rst
  ixpk= 3277, nxpk= 25, iat=1627,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1612,1613,
 &end
#
#    0 AMB  25-2:3280     0 AMB  25-1:3280   4.50    (#   3280:25  Double Ambig
)
 &rst
  ixpk= 3280, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1599, 729,
 igr2=1612,1613,1612,1613,
 &end
#
#    0 AMB  25-2:3281   109 LEU  HB-         3.50    (#   3281:25  Single Ambig
)
 &rst
  ixpk= 3281, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1685,1686,1631,1632,
 igr2=1612,1613,
 &end
#
#    0 AMB  25-2:3282     0 AMB  25-1:3282   3.50    (#   3282:25  Double Ambig
)
 &rst
  ixpk= 3282, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1685,1686,1631,1632,
 igr2=1612,1613,1612,1613,
 &end
#
#  108 SER  HA          109 LEU  HG          5.50    (#   3283:25  Unique         4.02, 4.10 A
)
 &rst
  ixpk= 3283, nxpk= 25, iat=1599,1615, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  109 LEU  HA          109 LEU  HG          3.50    (#   3284:25  Unique         2.92, 3.00 A
)
 &rst
  ixpk= 3284, nxpk= 25, iat=1610,1615, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 LEU  HA          109 LEU  MDX         4.50    (#   3285:25  Unique         2.14, 3.81 A
)
 &rst
  ixpk= 3285, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  112 PHE  HD          109 LEU  MDY         4.50    (#   3287:25  Unique         3.22, 6.79 A
)
 &rst
  ixpk= 3287, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1666,1674,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  25-2:3288   109 LEU  MDY         4.50    (#   3288:25  Single Ambig
)
 &rst
  ixpk= 3288, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1662,1663, 678,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#  111 VAL  HN          110 GLU  HB-         3.50    (#   3289:25  Unique         2.68, 3.25 A
)
 &rst
  ixpk= 3289, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1631,1632,
 &end
#
#  111 VAL  HN          110 GLU  HB+         3.50    (#   3290:25  Unique         2.68, 3.25 A
)
 &rst
  ixpk= 3290, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1631,1632,
 &end
#
#    0 AMB  25-2:3291   111 VAL  HA          4.50    (#   3291:25  Single Ambig
)
 &rst
  ixpk= 3291, nxpk= 25, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1631,1632,1584,1585,1527,1528,
 &end
#
#  112 PHE  HN          111 VAL  HA          5.50    (#   3292:25  Unique         3.59, 3.60 A
)
 &rst
  ixpk= 3292, nxpk= 25, iat=1658,1644, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  107 GLN  HE2-        111 VAL  MGX         5.50    (#   3293:25  Unique         3.96, 6.01 A
)
 &rst
  ixpk= 3293, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1592,1593,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  107 GLN  HE2+        111 VAL  MGX         5.50    (#   3294:25  Unique         3.96, 6.01 A
)
 &rst
  ixpk= 3294, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1592,1593,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  HN          111 VAL  MGX         4.50    (#   3295:25  Unique         2.27, 3.87 A
)
 &rst
  ixpk= 3295, nxpk= 25, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  108 SER  HN          111 VAL  MGX         5.50    (#   3296:25  Unique         3.07, 4.29 A
)
 &rst
  ixpk= 3296, nxpk= 25, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  112 PHE  HN          111 VAL  MGX         5.50    (#   3297:25  Unique         3.41, 4.47 A
)
 &rst
  ixpk= 3297, nxpk= 25, iat=1658,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  114 THR  HN          111 VAL  MGX         4.50    (#   3298:25  Unique         5.33, 6.16 A
)
 &rst
  ixpk= 3298, nxpk= 25, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#  115 VAL  HN          111 VAL  MGX         5.50    (#   3299:25  Unique         4.26, 5.83 A
)
 &rst
  ixpk= 3299, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#   34 SER  HA           33 THR  MG2         5.50    (#   3300:25  Unique         3.95, 5.06 A
)
 &rst
  ixpk= 3300, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 510, 511, 512,
 &end
#
#  113 ARG  HN          112 PHE  HB+         3.50    (#   3301:25  Unique         2.56, 2.82 A
)
 &rst
  ixpk= 3301, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#  113 ARG  HN          112 PHE  HB-         4.50    (#   3302:25  Unique         2.56, 2.82 A
)
 &rst
  ixpk= 3302, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1662,1663,
 &end
#
#  109 LEU  HA          112 PHE  HB-         3.50    (#   3303:25  Unique         2.10, 2.89 A
)
 &rst
  ixpk= 3303, nxpk= 25, iat=1610,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1662,1663,
 &end
#
#   49 MET  HG+         112 PHE  HB+         3.50    (#   3304:25  Unique         2.03, 3.33 A
)
 &rst
  ixpk= 3304, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 734, 735,
 igr2=1662,1663,
 &end
#
#   49 MET  ME          112 PHE  HB+         4.50    (#   3305:25  Unique         2.19, 3.45 A
)
 &rst
  ixpk= 3305, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 738, 739, 740,
 igr2=1662,1663,
 &end
#
#   49 MET  ME          112 PHE  HB-         4.50    (#   3306:25  Unique         2.19, 3.45 A
)
 &rst
  ixpk= 3306, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 738, 739, 740,
 igr2=1662,1663,
 &end
#
#  109 LEU  MDY         112 PHE  HB+         4.50    (#   3307:25  Unique         3.26, 5.76 A
)
 &rst
  ixpk= 3307, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1617,1618,1619,1621,1622,1623,
 igr2=1662,1663,
 &end
#
#    0 AMB  25-2:3308     0 AMB  25-1:3308   5.50    (#   3308:25  Double Ambig
)
 &rst
  ixpk= 3308, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1=1554,1555,1722,1723,1724,1726,1727,1728,
 igr2=1662,1663,1662,1663,
 &end
#
#    0 AMB  25-2:3309   112 PHE  HB-         4.50    (#   3309:25  Single Ambig
)
 &rst
  ixpk= 3309, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 680, 681, 682,1554,1555,
 igr2=1662,1663,
 &end
#
#    0 AMB  25-2:3310     0 AMB  25-1:3310   4.50    (#   3310:25  Double Ambig
)
 &rst
  ixpk= 3310, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 680, 681, 682,1554,1555,
 igr2=1662,1663,1662,1663,
 &end
#
#    0 AMB  25-2:3311   113 ARG  HA          4.50    (#   3311:25  Single Ambig
)
 &rst
  ixpk= 3311, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1662,1663,1742,1743,
 &end
#
#  113 ARG  HD-         113 ARG  HA          5.50    (#   3312:25  Unique         4.25, 4.61 A
)
 &rst
  ixpk= 3312, nxpk= 25, iat=  -1,1680, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1688,1689,
 &end
#
#  113 ARG  HN          113 ARG  HG+         4.50    (#   3316:25  Unique         2.19, 2.93 A
)
 &rst
  ixpk= 3316, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1685,1686,
 &end
#
#  113 ARG  HN          113 ARG  HG-         3.50    (#   3317:25  Unique         2.19, 2.93 A
)
 &rst
  ixpk= 3317, nxpk= 25, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1685,1686,
 &end
#
#  113 ARG  HA          113 ARG  HG+         3.50    (#   3320:25  Unique         2.28, 2.62 A
)
 &rst
  ixpk= 3320, nxpk= 25, iat=1680,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1685,1686,
 &end
#
#  113 ARG  HG+         113 ARG  HD-         3.50    (#   3322:25  Unique         2.14, 2.64 A
)
 &rst
  ixpk= 3322, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1685,1686,
 igr2=1688,1689,
 &end
#
#  115 VAL  HN          114 THR  HA          4.50    (#   3325:25  Unique         3.60, 3.63 A
)
 &rst
  ixpk= 3325, nxpk= 25, iat=1716,1704, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3326   114 THR  HA          4.50    (#   3326:25  Single Ambig
)
 &rst
  ixpk= 3326, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1756,1763,
 &end
#
#    0 AMB  25-2:3327   114 THR  HA          4.50    (#   3327:25  Single Ambig
)
 &rst
  ixpk= 3327, nxpk= 25, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1682,1683,1767,1768,
 &end
#
#    0 AMB  25-2:3328   114 THR  HB          3.50    (#   3328:25  Single Ambig
)
 &rst
  ixpk= 3328, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  111 VAL  MGX         114 THR  HB          4.50    (#   3329:25  Unique         4.01, 5.27 A
)
 &rst
  ixpk= 3329, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:3330   114 THR  HB          5.50    (#   3330:25  Single Ambig
)
 &rst
  ixpk= 3330, nxpk= 25, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1720,1682,1683,1767,1768,
 &end
#
#    0 AMB  25-2:3331   114 THR  MG2         5.50    (#   3331:25  Single Ambig
)
 &rst
  ixpk= 3331, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1763,1756,
 igr2=1708,1709,1710,
 &end
#
#  114 THR  HN          114 THR  MG2         4.50    (#   3332:25  Unique         4.31, 4.41 A
)
 &rst
  ixpk= 3332, nxpk= 25, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1708,1709,1710,
 &end
#
#  115 VAL  HN          114 THR  MG2         4.50    (#   3333:25  Unique         3.53, 4.32 A
)
 &rst
  ixpk= 3333, nxpk= 25, iat=1716,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1708,1709,1710,
 &end
#
#    0 AMB  25-2:3334     0 AMB  25-1:3334   4.50    (#   3334:25  Double Ambig
)
 &rst
  ixpk= 3334, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1565,1566,1662,1663,
 igr2= 171, 172,1720,
 &end
#
#  114 THR  HB          115 VAL  MGY         4.50    (#   3338:25  Unique         3.06, 5.39 A
)
 &rst
  ixpk= 3338, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  114 THR  HN          115 VAL  MGY         5.50    (#   3339:25  Unique         4.49, 6.36 A
)
 &rst
  ixpk= 3339, nxpk= 25, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#  102 GLU  HN          115 VAL  MGY         4.50    (#   3340:25  Unique         2.25, 3.86 A
)
 &rst
  ixpk= 3340, nxpk= 25, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1722,1723,1724,1726,1727,1728,
 &end
#
#    0 AMB  25-2:3341   116 ARG  HA          3.50    (#   3341:25  Single Ambig
)
 &rst
  ixpk= 3341, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1756,1763,
 &end
#
#   21 PHE  HE          116 ARG  HA          4.50    (#   3342:25  Unique         2.89, 4.96 A
)
 &rst
  ixpk= 3342, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 338, 342,
 &end
#
#   21 PHE  HD          116 ARG  HA          5.50    (#   3343:25  Unique         4.87, 6.43 A
)
 &rst
  ixpk= 3343, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 336, 344,
 &end
#
#  116 ARG  HD+         116 ARG  HA          4.50    (#   3344:25  Unique         3.76, 4.37 A
)
 &rst
  ixpk= 3344, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1742,1743,
 &end
#
#  116 ARG  HD-         116 ARG  HA          4.50    (#   3345:25  Unique         3.76, 4.37 A
)
 &rst
  ixpk= 3345, nxpk= 25, iat=  -1,1734, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1742,1743,
 &end
#
#  116 ARG  HN          116 ARG  HB-         3.50    (#   3346:25  Unique         2.33, 2.49 A
)
 &rst
  ixpk= 3346, nxpk= 25, iat=1732,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HA          116 ARG  HB-         3.50    (#   3347:25  Unique         2.37, 2.75 A
)
 &rst
  ixpk= 3347, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1736,1737,
 &end
#
#  116 ARG  HB+         116 ARG  HG-         3.50    (#   3348:25  Unique         2.21, 2.65 A
)
 &rst
  ixpk= 3348, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1736,1737,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD-         116 ARG  HG-         4.50    (#   3349:25  Unique         2.17, 2.54 A
)
 &rst
  ixpk= 3349, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HD+         116 ARG  HG-         4.50    (#   3350:25  Unique         2.17, 2.54 A
)
 &rst
  ixpk= 3350, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1742,1743,
 igr2=1739,1740,
 &end
#
#  116 ARG  HA          116 ARG  HG-         4.50    (#   3351:25  Unique         2.36, 2.99 A
)
 &rst
  ixpk= 3351, nxpk= 25, iat=1734,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1739,1740,
 &end
#
#  116 ARG  HB+         116 ARG  HD+         4.50    (#   3352:25  Unique         2.58, 3.75 A
)
 &rst
  ixpk= 3352, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1736,1737,
 igr2=1742,1743,
 &end
#
#  116 ARG  HG+         116 ARG  HD-         3.50    (#   3353:25  Unique         2.17, 2.54 A
)
 &rst
  ixpk= 3353, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1739,1740,
 igr2=1742,1743,
 &end
#
#   49 MET  HB+         116 ARG  HD+         4.50    (#   3354:25  Unique         2.17, 4.65 A
)
 &rst
  ixpk= 3354, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732,
 igr2=1742,1743,
 &end
#
#   53 VAL  MGX         116 ARG  HD-         4.50    (#   3355:25  Unique         2.30, 4.71 A
)
 &rst
  ixpk= 3355, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 797, 798, 799, 801, 802, 803,
 igr2=1742,1743,
 &end
#
#  116 ARG  HB+         116 ARG  HD-         4.50    (#   3356:25  Unique         2.58, 3.75 A
)
 &rst
  ixpk= 3356, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1736,1737,
 igr2=1742,1743,
 &end
#
#   21 PHE  HD          116 ARG  HD+         4.50    (#   3358:25  Unique         5.07, 5.87 A
)
 &rst
  ixpk= 3358, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 336, 344,
 igr2=1742,1743,
 &end
#
#   52 GLU  HN          116 ARG  HD+         4.50    (#   3359:25  Unique         4.69, 5.54 A
)
 &rst
  ixpk= 3359, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1742,1743,
 &end
#
#   52 GLU  HN          116 ARG  HD-         5.50    (#   3360:25  Unique         4.69, 5.54 A
)
 &rst
  ixpk= 3360, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1742,1743,
 &end
#
#   21 PHE  HD          116 ARG  HD-         5.50    (#   3361:25  Unique         5.07, 5.87 A
)
 &rst
  ixpk= 3361, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 336, 344,
 igr2=1742,1743,
 &end
#
#  120 LYS  HN          117 GLY  HA+         5.50    (#   3364:25  Unique         3.63, 4.22 A
)
 &rst
  ixpk= 3364, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1758,1759,
 &end
#
#  120 LYS  HN          117 GLY  HA-         4.50    (#   3365:25  Unique         3.63, 4.22 A
)
 &rst
  ixpk= 3365, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1758,1759,
 &end
#
#    0 AMB  25-2:3366     0 AMB  25-1:3366   3.50    (#   3366:25  Double Ambig
)
 &rst
  ixpk= 3366, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1800,1801,1806,1807,
 igr2=1758,1759,1758,1759,
 &end
#
#  120 LYS  HB-         117 GLY  HA+         4.50    (#   3367:25  Unique         2.88, 4.37 A
)
 &rst
  ixpk= 3367, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  120 LYS  HB-         117 GLY  HA-         4.50    (#   3368:25  Unique         2.88, 4.37 A
)
 &rst
  ixpk= 3368, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1801,
 igr2=1758,1759,
 &end
#
#  122 ARG  HG+         118 GLN  HA          4.50    (#   3369:25  Unique         3.72, 4.94 A
)
 &rst
  ixpk= 3369, nxpk= 25, iat=  -1,1765, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1840,1841,
 &end
#
#  119 VAL  HN          118 GLN  HA          3.50    (#   3372:25  Unique         3.54, 3.55 A
)
 &rst
  ixpk= 3372, nxpk= 25, iat=1780,1765, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HN          118 GLN  HB+         4.50    (#   3373:25  Unique         2.41, 3.03 A
)
 &rst
  ixpk= 3373, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1767,1768,
 &end
#
#  119 VAL  HN          118 GLN  HB-         4.50    (#   3374:25  Unique         2.41, 3.03 A
)
 &rst
  ixpk= 3374, nxpk= 25, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1767,1768,
 &end
#
#  118 GLN  HN          118 GLN  HB+         3.50    (#   3375:25  Unique         2.19, 3.01 A
)
 &rst
  ixpk= 3375, nxpk= 25, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1767,1768,
 &end
#
#  118 GLN  HA          118 GLN  HB+         3.50    (#   3376:25  Unique         2.48, 2.79 A
)
 &rst
  ixpk= 3376, nxpk= 25, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1767,1768,
 &end
#
#  114 THR  MG2         118 GLN  HG+         4.50    (#   3378:25  Unique         2.50, 4.58 A
)
 &rst
  ixpk= 3378, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1708,1709,1710,
 igr2=1770,1771,
 &end
#
#    0 AMB  25-2:3379     0 AMB  25-1:3379   4.50    (#   3379:25  Double Ambig
)
 &rst
  ixpk= 3379, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.30, r4=10.05,
 igr1=1508,1722,1723,1724,1726,1727,1728,1722,1723,1724,
      1726,1727,1728,
 igr2=1770,1771,1770,1771,1770,1771,
 &end
#
#  115 VAL  HA          118 GLN  HG+         3.50    (#   3380:25  Unique         3.23, 4.26 A
)
 &rst
  ixpk= 3380, nxpk= 25, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2-        118 GLN  HG+         4.50    (#   3381:25  Unique         2.20, 3.28 A
)
 &rst
  ixpk= 3381, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#  118 GLN  HE2-        118 GLN  HG-         4.50    (#   3382:25  Unique         2.20, 3.28 A
)
 &rst
  ixpk= 3382, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1775,1776,
 igr2=1770,1771,
 &end
#
#    0 AMB  25-2:3384   118 GLN  HG-         4.50    (#   3384:25  Single Ambig
)
 &rst
  ixpk= 3384, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.75, r4= 8.50,
 igr1=1508,1722,1723,1724,1726,1727,1728,1722,1723,1724,
      1726,1727,1728,
 igr2=1770,1771,
 &end
#
#  122 ARG  HB-         119 VAL  HA          4.50    (#   3385:25  Unique         2.37, 3.53 A
)
 &rst
  ixpk= 3385, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1837,1838,
 &end
#
#  123 VAL  MGY         119 VAL  HA          4.50    (#   3386:25  Unique         4.05, 6.48 A
)
 &rst
  ixpk= 3386, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  25-2:3387   119 VAL  HA          5.50    (#   3387:25  Single Ambig
)
 &rst
  ixpk= 3387, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1767,1768,1822,1823,
 &end
#
#  122 ARG  HD-         119 VAL  HA          4.50    (#   3388:25  Unique         2.64, 3.58 A
)
 &rst
  ixpk= 3388, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1843,1844,
 &end
#
#  122 ARG  HN          119 VAL  HA          4.50    (#   3390:25  Unique         3.24, 3.48 A
)
 &rst
  ixpk= 3390, nxpk= 25, iat=1833,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3391   119 VAL  HA          5.50    (#   3391:25  Single Ambig
)
 &rst
  ixpk= 3391, nxpk= 25, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1763,1756,1888,
 &end
#
#  120 LYS  HN          119 VAL  HA          4.50    (#   3392:25  Unique         3.59, 3.66 A
)
 &rst
  ixpk= 3392, nxpk= 25, iat=1796,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 VAL  HN          119 VAL  HA          3.50    (#   3393:25  Unique         2.80, 2.84 A
)
 &rst
  ixpk= 3393, nxpk= 25, iat=1780,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LYS  HN          119 VAL  MGY         4.50    (#   3394:25  Unique         3.29, 4.60 A
)
 &rst
  ixpk= 3394, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   21 PHE  HB+         120 LYS  HA          4.50    (#   3396:25  Unique         3.12, 3.32 A
)
 &rst
  ixpk= 3396, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 332, 333,
 &end
#
#  123 VAL  HA          120 LYS  HA          5.50    (#   3397:25  Unique         5.24, 5.35 A
)
 &rst
  ixpk= 3397, nxpk= 25, iat=1859,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HD          120 LYS  HA          4.50    (#   3398:25  Unique         2.46, 4.01 A
)
 &rst
  ixpk= 3398, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#    0 AMB  25-2:3399   120 LYS  HA          3.50    (#   3399:25  Single Ambig
)
 &rst
  ixpk= 3399, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1818, 338, 342,
 &end
#
#    0 AMB  25-2:3400   120 LYS  HA          3.50    (#   3400:25  Single Ambig
)
 &rst
  ixpk= 3400, nxpk= 25, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  120 LYS  HN          120 LYS  HB-         3.50    (#   3401:25  Unique         2.31, 2.51 A
)
 &rst
  ixpk= 3401, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#    0 AMB  25-2:3402   120 LYS  HB-         3.50    (#   3402:25  Single Ambig
)
 &rst
  ixpk= 3402, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1818, 338, 342,
 igr2=1800,1801,
 &end
#
#  117 GLY  HA+         120 LYS  HB+         4.50    (#   3404:25  Unique         2.88, 4.37 A
)
 &rst
  ixpk= 3404, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1758,1759,
 igr2=1800,1801,
 &end
#
#  117 GLY  HA-         120 LYS  HB-         5.50    (#   3405:25  Unique         2.88, 4.37 A
)
 &rst
  ixpk= 3405, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1758,1759,
 igr2=1800,1801,
 &end
#
#  120 LYS  HA          120 LYS  HB+         3.50    (#   3406:25  Unique         2.45, 2.78 A
)
 &rst
  ixpk= 3406, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HB+         3.50    (#   3407:25  Unique         2.46, 2.77 A
)
 &rst
  ixpk= 3407, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1800,1801,
 &end
#
#  124 GLU  HG-         120 LYS  HG+         5.50    (#   3408:25  Unique         2.85, 4.07 A
)
 &rst
  ixpk= 3408, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1880,1881,
 igr2=1803,1804,
 &end
#
#  124 GLU  HG-         120 LYS  HG-         4.50    (#   3409:25  Unique         2.85, 4.07 A
)
 &rst
  ixpk= 3409, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1880,1881,
 igr2=1803,1804,
 &end
#
#  120 LYS  HA          120 LYS  HG-         4.50    (#   3410:25  Unique         2.57, 2.94 A
)
 &rst
  ixpk= 3410, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1803,1804,
 &end
#
#  120 LYS  HE-         120 LYS  HG+         3.50    (#   3411:25  Unique         2.49, 3.51 A
)
 &rst
  ixpk= 3411, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810,
 igr2=1803,1804,
 &end
#
#  120 LYS  HE-         120 LYS  HG-         4.50    (#   3412:25  Unique         2.49, 3.51 A
)
 &rst
  ixpk= 3412, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1809,1810,
 igr2=1803,1804,
 &end
#
#    0 AMB  25-2:3413     0 AMB  25-1:3413   5.50    (#   3413:25  Double Ambig
)
 &rst
  ixpk= 3413, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1818, 338, 342,
 igr2=1803,1804,1803,1804,
 &end
#
#  120 LYS  HN          120 LYS  HG+         5.50    (#   3414:25  Unique         4.35, 4.48 A
)
 &rst
  ixpk= 3414, nxpk= 25, iat=1796,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1803,1804,
 &end
#
#  120 LYS  HA          120 LYS  HD-         5.50    (#   3415:25  Unique         4.38, 4.65 A
)
 &rst
  ixpk= 3415, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1806,1807,
 &end
#
#  120 LYS  HA          120 LYS  HD+         5.50    (#   3416:25  Unique         4.38, 4.65 A
)
 &rst
  ixpk= 3416, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1806,1807,
 &end
#
#    0 AMB  25-2:3417     0 AMB  25-1:3417   5.50    (#   3417:25  Double Ambig
)
 &rst
  ixpk= 3417, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1818, 338, 342,
 igr2=1809,1810,1809,1810,
 &end
#
#  125 ASN  HN          121 GLU  HA          5.50    (#   3418:25  Unique         3.89, 4.09 A
)
 &rst
  ixpk= 3418, nxpk= 25, iat=1888,1820, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3419   121 GLU  HA          4.50    (#   3419:25  Single Ambig
)
 &rst
  ixpk= 3419, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1800,1801,1806,1807,
 &end
#
#  120 LYS  HG-         121 GLU  HA          3.50    (#   3420:25  Unique         3.50, 4.38 A
)
 &rst
  ixpk= 3420, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  122 ARG  HD+         122 ARG  HA          4.50    (#   3421:25  Unique         2.35, 4.39 A
)
 &rst
  ixpk= 3421, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1843,1844,
 &end
#
#  122 ARG  HD-         122 ARG  HA          4.50    (#   3422:25  Unique         2.35, 4.39 A
)
 &rst
  ixpk= 3422, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1843,1844,
 &end
#
#  125 ASN  HD2-        122 ARG  HA          5.50    (#   3424:25  Unique         2.78, 4.37 A
)
 &rst
  ixpk= 3424, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1897,1898,
 &end
#
#  126 LEU  HN          122 ARG  HA          5.50    (#   3425:25  Unique         3.75, 3.85 A
)
 &rst
  ixpk= 3425, nxpk= 25, iat=1902,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3426   122 ARG  HA          3.50    (#   3426:25  Single Ambig
)
 &rst
  ixpk= 3426, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1857,1873,
 &end
#
#  122 ARG  HN          122 ARG  HB+         3.50    (#   3427:25  Unique         2.33, 3.01 A
)
 &rst
  ixpk= 3427, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1837,1838,
 &end
#
#  122 ARG  HN          122 ARG  HB-         3.50    (#   3428:25  Unique         2.33, 3.01 A
)
 &rst
  ixpk= 3428, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1837,1838,
 &end
#
#  123 VAL  HN          122 ARG  HB+         4.50    (#   3429:25  Unique         2.51, 3.31 A
)
 &rst
  ixpk= 3429, nxpk= 25, iat=1857,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  123 VAL  HN          122 ARG  HB-         5.50    (#   3430:25  Unique         2.51, 3.31 A
)
 &rst
  ixpk= 3430, nxpk= 25, iat=1857,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1837,1838,
 &end
#
#  122 ARG  HA          122 ARG  HB+         4.50    (#   3431:25  Unique         2.37, 2.76 A
)
 &rst
  ixpk= 3431, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  122 ARG  HA          122 ARG  HB-         4.50    (#   3432:25  Unique         2.37, 2.76 A
)
 &rst
  ixpk= 3432, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  119 VAL  HA          122 ARG  HB-         5.50    (#   3433:25  Unique         2.37, 3.53 A
)
 &rst
  ixpk= 3433, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1837,1838,
 &end
#
#  119 VAL  HA          122 ARG  HB+         4.50    (#   3434:25  Unique         2.37, 3.53 A
)
 &rst
  ixpk= 3434, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1837,1838,
 &end
#
#  122 ARG  HD-         122 ARG  HB+         5.50    (#   3435:25  Unique         2.26, 2.91 A
)
 &rst
  ixpk= 3435, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1843,1844,
 igr2=1837,1838,
 &end
#
#  122 ARG  HD+         122 ARG  HB-         4.50    (#   3436:25  Unique         2.26, 2.91 A
)
 &rst
  ixpk= 3436, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1843,1844,
 igr2=1837,1838,
 &end
#
#  122 ARG  HD-         122 ARG  HB-         5.50    (#   3437:25  Unique         2.26, 2.91 A
)
 &rst
  ixpk= 3437, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1843,1844,
 igr2=1837,1838,
 &end
#
#  122 ARG  HG-         122 ARG  HB-         4.50    (#   3441:25  Unique         2.21, 2.73 A
)
 &rst
  ixpk= 3441, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1840,1841,
 igr2=1837,1838,
 &end
#
#  122 ARG  HG+         122 ARG  HB-         4.50    (#   3442:25  Unique         2.21, 2.73 A
)
 &rst
  ixpk= 3442, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1840,1841,
 igr2=1837,1838,
 &end
#
#  122 ARG  HB-         122 ARG  HG+         3.50    (#   3443:25  Unique         2.21, 2.73 A
)
 &rst
  ixpk= 3443, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1840,1841,
 &end
#
#  122 ARG  HB-         122 ARG  HG-         3.50    (#   3444:25  Unique         2.21, 2.73 A
)
 &rst
  ixpk= 3444, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1840,1841,
 &end
#
#  122 ARG  HD+         122 ARG  HG-         3.50    (#   3445:25  Unique         2.32, 2.76 A
)
 &rst
  ixpk= 3445, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,
 igr2=1840,1841,
 &end
#
#  122 ARG  HD-         122 ARG  HG+         3.50    (#   3446:25  Unique         2.32, 2.76 A
)
 &rst
  ixpk= 3446, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,
 igr2=1840,1841,
 &end
#
#  122 ARG  HD-         122 ARG  HG-         3.50    (#   3447:25  Unique         2.32, 2.76 A
)
 &rst
  ixpk= 3447, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1843,1844,
 igr2=1840,1841,
 &end
#
#  122 ARG  HA          122 ARG  HG+         3.50    (#   3448:25  Unique         2.49, 2.79 A
)
 &rst
  ixpk= 3448, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HN          122 ARG  HG+         3.50    (#   3451:25  Unique         2.40, 3.22 A
)
 &rst
  ixpk= 3451, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  122 ARG  HN          122 ARG  HG-         3.50    (#   3452:25  Unique         2.40, 3.22 A
)
 &rst
  ixpk= 3452, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1840,1841,
 &end
#
#  127 ILE  HN          126 LEU  HB-         4.50    (#   3453:25  Unique         3.45, 3.93 A
)
 &rst
  ixpk= 3453, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1906,1907,
 &end
#
#    6 PHE  HE          126 LEU  HB-         4.50    (#   3454:25  Unique         4.44, 6.49 A
)
 &rst
  ixpk= 3454, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 108, 112,
 igr2=1906,1907,
 &end
#
#  123 VAL  HA          126 LEU  HB-         3.50    (#   3455:25  Unique         2.99, 4.14 A
)
 &rst
  ixpk= 3455, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  122 ARG  HA          122 ARG  HD-         4.50    (#   3456:25  Unique         2.35, 4.39 A
)
 &rst
  ixpk= 3456, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1843,1844,
 &end
#
#  122 ARG  HA          122 ARG  HD+         4.50    (#   3457:25  Unique         2.35, 4.39 A
)
 &rst
  ixpk= 3457, nxpk= 25, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1843,1844,
 &end
#
#    0 AMB  25-2:3458   123 VAL  HA          5.50    (#   3458:25  Single Ambig
)
 &rst
  ixpk= 3458, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1837,1838,1934,1935,1936,
 &end
#
#  126 LEU  HG          123 VAL  HA          4.50    (#   3459:25  Unique         2.95, 3.03 A
)
 &rst
  ixpk= 3459, nxpk= 25, iat=1909,1859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  MB          123 VAL  HA          5.50    (#   3460:25  Unique         4.54, 5.48 A
)
 &rst
  ixpk= 3460, nxpk= 25, iat=  -1,1859, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 352, 353, 354,
 &end
#
#  126 LEU  HA          123 VAL  HA          5.50    (#   3461:25  Unique         5.46, 5.57 A
)
 &rst
  ixpk= 3461, nxpk= 25, iat=1904,1859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HZ2         123 VAL  HA          5.50    (#   3462:25  Unique         3.50, 3.88 A
)
 &rst
  ixpk= 3462, nxpk= 25, iat=1473,1859, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  126 LEU  HN          123 VAL  HA          4.50    (#   3463:25  Unique         3.46, 3.50 A
)
 &rst
  ixpk= 3463, nxpk= 25, iat=1902,1859, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HN          123 VAL  MGY         4.50    (#   3464:25  Unique         4.52, 6.35 A
)
 &rst
  ixpk= 3464, nxpk= 25, iat=1833,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  127 ILE  HG1+        124 GLU  HA          4.50    (#   3465:25  Unique         3.57, 4.41 A
)
 &rst
  ixpk= 3465, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1931,1932,
 &end
#
#    0 AMB  25-2:3466   124 GLU  HA          4.50    (#   3466:25  Single Ambig
)
 &rst
  ixpk= 3466, nxpk= 25, iat=  -1,1875, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 398, 399,1909,
 &end
#
#  128 ALA  HN          124 GLU  HA          4.50    (#   3467:25  Unique         4.05, 4.11 A
)
 &rst
  ixpk= 3467, nxpk= 25, iat=1940,1875, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  126 LEU  HN          124 GLU  HA          4.50    (#   3468:25  Unique         4.33, 4.42 A
)
 &rst
  ixpk= 3468, nxpk= 25, iat=1902,1875, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 GLU  HB-         124 GLU  HG+         2.80    (#   3469:25  Unique         2.44, 2.76 A
)
 &rst
  ixpk= 3469, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1877,1878,
 igr2=1880,1881,
 &end
#
#  124 GLU  HB-         124 GLU  HG-         2.80    (#   3472:25  Unique         2.44, 2.76 A
)
 &rst
  ixpk= 3472, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1877,1878,
 igr2=1880,1881,
 &end
#
#  120 LYS  HG+         124 GLU  HG-         5.50    (#   3473:25  Unique         2.85, 4.07 A
)
 &rst
  ixpk= 3473, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1803,1804,
 igr2=1880,1881,
 &end
#
#  121 GLU  HA          124 GLU  HG-         3.50    (#   3474:25  Unique         3.61, 4.30 A
)
 &rst
  ixpk= 3474, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1880,1881,
 &end
#
#  121 GLU  HA          124 GLU  HG+         4.50    (#   3475:25  Unique         3.61, 4.30 A
)
 &rst
  ixpk= 3475, nxpk= 25, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1880,1881,
 &end
#
#  125 ASN  HD2+        125 ASN  HA          5.50    (#   3476:25  Unique         3.22, 3.82 A
)
 &rst
  ixpk= 3476, nxpk= 25, iat=  -1,1890, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1897,1898,
 &end
#
#    0 AMB  25-2:3477     0 AMB  25-1:3477   5.50    (#   3477:25  Double Ambig
)
 &rst
  ixpk= 3477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1944,1945,1946,1909,
 igr2=1892,1893,1892,1893,
 &end
#
#  128 ALA  MB          125 ASN  HB-         5.50    (#   3478:25  Unique         4.49, 6.08 A
)
 &rst
  ixpk= 3478, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1944,1945,1946,
 igr2=1892,1893,
 &end
#
#  121 GLU  HG-         125 ASN  HB+         5.50    (#   3479:25  Unique         3.45, 5.31 A
)
 &rst
  ixpk= 3479, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1825,1826,
 igr2=1892,1893,
 &end
#
#  121 GLU  HG-         125 ASN  HB-         5.50    (#   3480:25  Unique         3.45, 5.31 A
)
 &rst
  ixpk= 3480, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1825,1826,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2+        125 ASN  HB+         4.50    (#   3483:25  Unique         2.13, 3.30 A
)
 &rst
  ixpk= 3483, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2+        125 ASN  HB-         4.50    (#   3484:25  Unique         2.13, 3.30 A
)
 &rst
  ixpk= 3484, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2-        125 ASN  HB+         3.50    (#   3485:25  Unique         2.13, 3.30 A
)
 &rst
  ixpk= 3485, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  125 ASN  HD2-        125 ASN  HB-         3.50    (#   3486:25  Unique         2.13, 3.30 A
)
 &rst
  ixpk= 3486, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1897,1898,
 igr2=1892,1893,
 &end
#
#  129 LYS  HN          129 LYS  HA          2.80    (#   3487:25  Unique         2.86, 2.87 A
)
 &rst
  ixpk= 3487, nxpk= 25, iat=1950,1952, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 TRP  HZ2         126 LEU  HA          5.50    (#   3488:25  Unique         3.75, 4.71 A
)
 &rst
  ixpk= 3488, nxpk= 25, iat=1473,1904, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  129 LYS  HE+         126 LEU  HA          4.50    (#   3489:25  Unique         2.09, 3.04 A
)
 &rst
  ixpk= 3489, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1963,1964,
 &end
#
#  125 ASN  HB+         126 LEU  HA          5.50    (#   3490:25  Unique         4.00, 4.69 A
)
 &rst
  ixpk= 3490, nxpk= 25, iat=  -1,1904, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#  122 ARG  HB-         122 ARG  HD-         3.50    (#   3491:25  Unique         2.26, 2.91 A
)
 &rst
  ixpk= 3491, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  122 ARG  HB-         122 ARG  HD+         3.50    (#   3492:25  Unique         2.26, 2.91 A
)
 &rst
  ixpk= 3492, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1837,1838,
 igr2=1843,1844,
 &end
#
#  126 LEU  HG          126 LEU  HB-         3.50    (#   3493:25  Unique         2.54, 2.83 A
)
 &rst
  ixpk= 3493, nxpk= 25, iat=1909,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#    6 PHE  HE          126 LEU  HB+         4.50    (#   3494:25  Unique         4.44, 6.49 A
)
 &rst
  ixpk= 3494, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 108, 112,
 igr2=1906,1907,
 &end
#
#   99 TRP  HZ2         126 LEU  HB+         3.50    (#   3495:25  Unique         2.26, 2.91 A
)
 &rst
  ixpk= 3495, nxpk= 25, iat=1473,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1906,1907,
 &end
#
#  126 LEU  HA          126 LEU  HG          3.50    (#   3496:25  Unique         3.59, 3.62 A
)
 &rst
  ixpk= 3496, nxpk= 25, iat=1904,1909, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HA          126 LEU  HG          4.50    (#   3497:25  Unique         3.61, 3.70 A
)
 &rst
  ixpk= 3497, nxpk= 25, iat=1923,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 VAL  HA          126 LEU  MDX         4.50    (#   3498:25  Unique         1.99, 4.09 A
)
 &rst
  ixpk= 3498, nxpk= 25, iat=1859,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  126 LEU  HA          126 LEU  MDX         4.50    (#   3499:25  Unique         3.13, 4.56 A
)
 &rst
  ixpk= 3499, nxpk= 25, iat=1904,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  126 LEU  HN          126 LEU  MDX         5.50    (#   3500:25  Unique         3.54, 4.81 A
)
 &rst
  ixpk= 3500, nxpk= 25, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  127 ILE  HN          126 LEU  MDX         5.50    (#   3501:25  Unique         3.34, 4.33 A
)
 &rst
  ixpk= 3501, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  129 LYS  HE+         126 LEU  MDY         4.50    (#   3502:25  Unique         4.83, 7.00 A
)
 &rst
  ixpk= 3502, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1963,1964,
 igr2=1911,1912,1913,1915,1916,1917,
 &end
#
#  130 ILE  HB          127 ILE  HA          4.50    (#   3503:25  Unique         4.61, 4.63 A
)
 &rst
  ixpk= 3503, nxpk= 25, iat=1976,1923, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  126 LEU  HB+         127 ILE  HA          5.50    (#   3504:25  Unique         5.35, 5.61 A
)
 &rst
  ixpk= 3504, nxpk= 25, iat=  -1,1923, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1906,1907,
 &end
#
#  126 LEU  HN          127 ILE  HB          5.50    (#   3506:25  Unique         4.51, 4.62 A
)
 &rst
  ixpk= 3506, nxpk= 25, iat=1902,1925, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3507   127 ILE  HB          4.50    (#   3507:25  Single Ambig
)
 &rst
  ixpk= 3507, nxpk= 25, iat=  -1,1925, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1909,1944,1945,1946,
 &end
#
#    0 AMB  25-2:3508     0 AMB  25-1:3508   4.50    (#   3508:25  Double Ambig
)
 &rst
  ixpk= 3508, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1=1863,1864,1865,1867,1868,1869, 469, 470,
 igr2=1931,1932,1931,1932,
 &end
#
#   29 LYS  HG+         127 ILE  HG1+        5.50    (#   3509:25  Unique         6.22, 7.95 A
)
 &rst
  ixpk= 3509, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 444, 445,
 igr2=1931,1932,
 &end
#
#   25 LEU  HB-         127 ILE  HG1+        4.50    (#   3510:25  Unique         4.73, 5.11 A
)
 &rst
  ixpk= 3510, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 398, 399,
 igr2=1931,1932,
 &end
#
#  127 ILE  HN          128 ALA  MB          5.50    (#   3511:25  Unique         5.16, 5.65 A
)
 &rst
  ixpk= 3511, nxpk= 25, iat=1921,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1944,1945,1946,
 &end
#
#    0 AMB  25-2:3512   129 LYS  HA          3.50    (#   3512:25  Single Ambig
)
 &rst
  ixpk= 3512, nxpk= 25, iat=  -1,1952, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1960,1961,1960,1961,
 &end
#
#  127 ILE  HN          126 LEU  HA          3.50    (#   3513:25  Unique         3.57, 3.58 A
)
 &rst
  ixpk= 3513, nxpk= 25, iat=1921,1904, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HN          129 LYS  HG+         4.50    (#   3514:25  Unique         2.26, 3.02 A
)
 &rst
  ixpk= 3514, nxpk= 25, iat=1950,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1957,1958,
 &end
#
#  129 LYS  HA          129 LYS  HG+         3.50    (#   3515:25  Unique         2.55, 2.78 A
)
 &rst
  ixpk= 3515, nxpk= 25, iat=1952,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1957,1958,
 &end
#
#    3 LYS  HE+           3 LYS  HG-         4.50    (#   3516:25  Unique         2.36, 2.84 A
)
 &rst
  ixpk= 3516, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  56,  57,
 igr2=  50,  51,
 &end
#
#  130 ILE  HG1+        130 ILE  HA          4.50    (#   3519:25  Unique         3.71, 3.77 A
)
 &rst
  ixpk= 3519, nxpk= 25, iat=  -1,1974, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1982,1983,
 &end
#
#  127 ILE  HA          130 ILE  HB          4.50    (#   3520:25  Unique         4.61, 4.63 A
)
 &rst
  ixpk= 3520, nxpk= 25, iat=1923,1976, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  127 ILE  HA          130 ILE  QD1         4.50    (#   3521:25  Unique         2.13, 2.99 A
)
 &rst
  ixpk= 3521, nxpk= 25, iat=1923,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1985,1986,1987,
 &end
#
#  130 ILE  HA          130 ILE  QD1         4.50    (#   3522:25  Unique         4.84, 5.14 A
)
 &rst
  ixpk= 3522, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:3523   130 ILE  QD1         5.50    (#   3523:25  Single Ambig
)
 &rst
  ixpk= 3523, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1993,1952,
 igr2=1985,1986,1987,
 &end
#
#    0 AMB  25-2:3524   130 ILE  QD1         4.50    (#   3524:25  Single Ambig
)
 &rst
  ixpk= 3524, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1972,1940,
 igr2=1985,1986,1987,
 &end
#
#  130 ILE  HG1+        131 SER  HA          5.50    (#   3525:25  Unique         3.46, 4.22 A
)
 &rst
  ixpk= 3525, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1982,1983,
 &end
#
#    0 AMB  25-2:3526   131 SER  HA          4.50    (#   3526:25  Single Ambig
)
 &rst
  ixpk= 3526, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1982,1983,  25,  26,
 &end
#
#    0 AMB  25-2:3527   131 SER  HA          4.50    (#   3527:25  Single Ambig
)
 &rst
  ixpk= 3527, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 447, 448, 441, 442,
 &end
#
#   29 LYS  HE+         131 SER  HA          5.50    (#   3528:25  Unique         1.98, 2.95 A
)
 &rst
  ixpk= 3528, nxpk= 25, iat=  -1,1993, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 450, 451,
 &end
#
#  130 ILE  HA          131 SER  HB+         5.50    (#   3529:25  Unique         5.43, 6.00 A
)
 &rst
  ixpk= 3529, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1995,1996,
 &end
#
#  131 SER  HA          131 SER  HB+         2.80    (#   3530:25  Unique         2.28, 2.77 A
)
 &rst
  ixpk= 3530, nxpk= 25, iat=1993,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1995,1996,
 &end
#
#  127 ILE  QG2         131 SER  HB+         4.50    (#   3531:25  Unique         3.86, 5.03 A
)
 &rst
  ixpk= 3531, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1927,1928,1929,
 igr2=1995,1996,
 &end
#
#  127 ILE  QG2         131 SER  HB-         3.50    (#   3532:25  Unique         3.86, 5.03 A
)
 &rst
  ixpk= 3532, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1927,1928,1929,
 igr2=1995,1996,
 &end
#
#   63 ASP  HN           11 ASN  HB+         5.50    (#   3533:25  Unique         2.94, 3.81 A
)
 &rst
  ixpk= 3533, nxpk= 25, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 195, 196,
 &end
#
#   85 ASN  HD2+         85 ASN  HB-         5.50    (#   3534:25  Unique         2.37, 3.44 A
)
 &rst
  ixpk= 3534, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1241,1242,
 igr2=1236,1237,
 &end
#
#   85 ASN  HD2+         85 ASN  HB+         4.50    (#   3535:25  Unique         2.37, 3.44 A
)
 &rst
  ixpk= 3535, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1241,1242,
 igr2=1236,1237,
 &end
#
#    0 AMB  25-2:3536   112 PHE  HA          4.50    (#   3536:25  Single Ambig
)
 &rst
  ixpk= 3536, nxpk= 25, iat=  -1,1660, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 290, 291, 292,1584,1585,
 &end
#
#    0 AMB  25-2:3537     7 VAL  HA          5.50    (#   3537:25  Single Ambig
)
 &rst
  ixpk= 3537, nxpk= 25, iat=  -1, 120, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1170,1171,1172,1174,1175,1176,1255,1256,1257,1259,
      1260,1261,
 &end
#
#    0 AMB  25-2:3538    30 ILE  HA          3.50    (#   3538:25  Single Ambig
)
 &rst
  ixpk= 3538, nxpk= 25, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=  15,  16,  17,   8,   9,
 &end
#
#   67 ASN  HD2+         67 ASN  HB-         3.50    (#   3547:25  Unique         2.24, 3.16 A
)
 &rst
  ixpk= 3547, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 993, 994,
 igr2= 988, 989,
 &end
#
#   76 VAL  MGX           5 MET  HB+         3.50    (#   3548:25  Unique         2.15, 4.19 A
)
 &rst
  ixpk= 3548, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=  85,  86,
 &end
#
#  120 LYS  HE+         120 LYS  HD-         3.50    (#   3549:25  Unique         2.35, 2.63 A
)
 &rst
  ixpk= 3549, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1809,1810,
 igr2=1806,1807,
 &end
#
#   99 TRP  HB-         101 LEU  HG          4.50    (#   3560:25  Unique         3.16, 4.99 A
)
 &rst
  ixpk= 3560, nxpk= 25, iat=  -1,1508, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1464,1465,
 &end
#
#   49 MET  HG+         109 LEU  MDY         4.50    (#   3566:25  Unique         4.51, 7.33 A
)
 &rst
  ixpk= 3566, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 734, 735,
 igr2=1617,1618,1619,1621,1622,1623,
 &end
#
#   46 ALA  HN           45 THR  MG2         5.50    (#   3567:25  Unique         4.28, 5.03 A
)
 &rst
  ixpk= 3567, nxpk= 25, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 680, 681, 682,
 &end
#
#   16 GLN  HE2-         42 VAL  MGY         4.50    (#   3568:25  Unique         2.99, 5.50 A
)
 &rst
  ixpk= 3568, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 274, 275,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   52 GLU  HN           53 VAL  MGY         4.50    (#   3571:25  Unique         4.06, 6.04 A
)
 &rst
  ixpk= 3571, nxpk= 25, iat= 776,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#   54 GLY  HN           53 VAL  MGY         5.50    (#   3572:25  Unique         2.91, 4.80 A
)
 &rst
  ixpk= 3572, nxpk= 25, iat= 807,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#    0 AMB  25-2:3573    53 VAL  MGY         5.50    (#   3573:25  Single Ambig
)
 &rst
  ixpk= 3573, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 778, 816,
 igr2= 797, 798, 799, 801, 802, 803,
 &end
#
#  108 SER  HB+         111 VAL  MGX         5.50    (#   3574:25  Unique         2.34, 5.34 A
)
 &rst
  ixpk= 3574, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1601,1602,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:3575     5 MET  ME          4.50    (#   3575:25  Single Ambig
)
 &rst
  ixpk= 3575, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  83,1000,
 igr2=  92,  93,  94,
 &end
#
#   68 PHE  HE            5 MET  ME          4.50    (#   3576:25  Unique         4.24, 5.80 A
)
 &rst
  ixpk= 3576, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1008,1012,
 igr2=  92,  93,  94,
 &end
#
#   33 THR  HN            5 MET  ME          5.50    (#   3577:25  Unique         5.07, 5.94 A
)
 &rst
  ixpk= 3577, nxpk= 25, iat= 504,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  92,  93,  94,
 &end
#
#   29 LYS  HA            1 MET  ME          4.50    (#   3578:25  Unique         2.79, 3.73 A
)
 &rst
  ixpk= 3578, nxpk= 25, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  15,  16,  17,
 &end
#
#   21 PHE  HE           50 MET  ME          4.50    (#   3580:25  Unique         2.35, 4.01 A
)
 &rst
  ixpk= 3580, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 338, 342,
 igr2= 755, 756, 757,
 &end
#
#    0 AMB  25-2:3584    50 MET  ME          5.50    (#   3584:25  Single Ambig
)
 &rst
  ixpk= 3584, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 332, 333, 286, 287, 371, 372,
 igr2= 755, 756, 757,
 &end
#
#   21 PHE  HB-          50 MET  ME          4.50    (#   3585:25  Unique         3.81, 5.11 A
)
 &rst
  ixpk= 3585, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 332, 333,
 igr2= 755, 756, 757,
 &end
#
#   17 MET  HB+          50 MET  ME          4.50    (#   3586:25  Unique         3.95, 5.85 A
)
 &rst
  ixpk= 3586, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 283, 284,
 igr2= 755, 756, 757,
 &end
#
#   45 THR  HN           44 PRO  HD+         5.50    (#   3590:25  Unique         2.41, 3.23 A
)
 &rst
  ixpk= 3590, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 661, 662,
 &end
#
#   44 PRO  HB+          44 PRO  HD+         4.50    (#   3592:25  Unique         3.00, 3.75 A
)
 &rst
  ixpk= 3592, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 667, 668,
 igr2= 661, 662,
 &end
#
#   48 ALA  HA           45 THR  MG2         5.50    (#   3594:25  Unique         6.13, 6.89 A
)
 &rst
  ixpk= 3594, nxpk= 25, iat= 719,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 680, 681, 682,
 &end
#
#  108 SER  HA           45 THR  MG2         5.50    (#   3595:25  Unique         5.64, 6.83 A
)
 &rst
  ixpk= 3595, nxpk= 25, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 680, 681, 682,
 &end
#
#   90 TRP  HA           70 ALA  HA          5.50    (#   3597:25  Unique         4.03, 4.46 A
)
 &rst
  ixpk= 3597, nxpk= 25, iat=1310,1034, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 ASN  HD2+        121 GLU  HG-         4.50    (#   3598:25  Unique         2.61, 4.75 A
)
 &rst
  ixpk= 3598, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1897,1898,
 igr2=1825,1826,
 &end
#
#  110 GLU  HG+         109 LEU  HB-         5.50    (#   3601:25  Unique         3.40, 5.24 A
)
 &rst
  ixpk= 3601, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1634,1635,
 igr2=1612,1613,
 &end
#
#    8 CYS  HB-          79 LEU  MDX         4.50    (#   3606:25  Unique         2.85, 5.34 A
)
 &rst
  ixpk= 3606, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 138, 139,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#  119 VAL  HA           79 LEU  MDX         5.50    (#   3607:25  Unique         4.27, 6.44 A
)
 &rst
  ixpk= 3607, nxpk= 25, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   21 PHE  HD          123 VAL  MGY         4.50    (#   3609:25  Unique         2.79, 6.08 A
)
 &rst
  ixpk= 3609, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 336, 344,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  111 VAL  HN          109 LEU  HA          5.50    (#   3610:25  Unique         4.14, 4.22 A
)
 &rst
  ixpk= 3610, nxpk= 25, iat=1642,1610, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  110 GLU  HN          109 LEU  HA          4.50    (#   3611:25  Unique         3.55, 3.56 A
)
 &rst
  ixpk= 3611, nxpk= 25, iat=1627,1610, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 PHE  HN          110 GLU  HA          5.50    (#   3612:25  Unique         4.50, 4.63 A
)
 &rst
  ixpk= 3612, nxpk= 25, iat=1658,1629, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 VAL  HN          112 PHE  HA          5.50    (#   3613:25  Unique         5.14, 5.17 A
)
 &rst
  ixpk= 3613, nxpk= 25, iat=1642,1660, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  114 THR  HN          113 ARG  HA          4.50    (#   3614:25  Unique         3.63, 3.64 A
)
 &rst
  ixpk= 3614, nxpk= 25, iat=1702,1680, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 ASN  HD2+        122 ARG  HA          5.50    (#   3615:25  Unique         2.78, 4.37 A
)
 &rst
  ixpk= 3615, nxpk= 25, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1897,1898,
 &end
#
#   17 MET  HN            0 AMB  25-1:3616   4.50    (#   3616:25  Single Ambig
)
 &rst
  ixpk= 3616, nxpk= 25, iat= 279,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 229, 253,
 &end
#
#    6 PHE  HD           15 SER  HA          5.50    (#   3617:25  Unique         3.79, 4.55 A
)
 &rst
  ixpk= 3617, nxpk= 25, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#   16 GLN  HN            0 AMB  25-1:3618   5.50    (#   3618:25  Single Ambig
)
 &rst
  ixpk= 3618, nxpk= 25, iat= 262,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 253, 229,
 &end
#
#    0 AMB  25-2:3619    17 MET  ME          5.50    (#   3619:25  Single Ambig
)
 &rst
  ixpk= 3619, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 729,1537,
 igr2= 290, 291, 292,
 &end
#
#   17 MET  HN           17 MET  ME          5.50    (#   3621:25  Unique         4.12, 5.01 A
)
 &rst
  ixpk= 3621, nxpk= 25, iat= 279,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 290, 291, 292,
 &end
#
#    0 AMB  25-2:3623    17 MET  ME          4.50    (#   3623:25  Single Ambig
)
 &rst
  ixpk= 3623, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 296, 744,
 igr2= 290, 291, 292,
 &end
#
#    0 AMB  25-2:3624    49 MET  ME          5.50    (#   3624:25  Single Ambig
)
 &rst
  ixpk= 3624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1702,1627,
 igr2= 738, 739, 740,
 &end
#
#    0 AMB  25-2:3625     1 MET  ME          5.50    (#   3625:25  Single Ambig
)
 &rst
  ixpk= 3625, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 437,  21,
 igr2=  15,  16,  17,
 &end
#
#   31 ALA  HN            1 MET  ME          5.50    (#   3626:25  Unique         4.28, 5.34 A
)
 &rst
  ixpk= 3626, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   28 GLY  HA-           1 MET  ME          5.50    (#   3628:25  Unique         3.44, 5.16 A
)
 &rst
  ixpk= 3628, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 432, 433,
 igr2=  15,  16,  17,
 &end
#
#   31 ALA  HA            1 MET  ME          5.50    (#   3629:25  Unique         4.32, 5.57 A
)
 &rst
  ixpk= 3629, nxpk= 25, iat= 480,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   30 ILE  HA            1 MET  ME          5.50    (#   3630:25  Unique         2.96, 4.15 A
)
 &rst
  ixpk= 3630, nxpk= 25, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   30 ILE  HN            1 MET  ME          5.50    (#   3631:25  Unique         2.87, 4.28 A
)
 &rst
  ixpk= 3631, nxpk= 25, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   50 MET  HN           48 ALA  MB          5.50    (#   3632:25  Unique         5.11, 5.64 A
)
 &rst
  ixpk= 3632, nxpk= 25, iat= 744,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 721, 722, 723,
 &end
#
#   51 GLU  HN           48 ALA  MB          5.50    (#   3633:25  Unique         5.29, 5.49 A
)
 &rst
  ixpk= 3633, nxpk= 25, iat= 761,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 721, 722, 723,
 &end
#
#   28 GLY  HN           27 ALA  MB          5.50    (#   3634:25  Unique         3.39, 4.09 A
)
 &rst
  ixpk= 3634, nxpk= 25, iat= 430,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 424, 425, 426,
 &end
#
#   28 GLY  HN            1 MET  ME          5.50    (#   3635:25  Unique         3.03, 4.05 A
)
 &rst
  ixpk= 3635, nxpk= 25, iat= 430,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=  15,  16,  17,
 &end
#
#   85 ASN  HD2+         85 ASN  HA          5.50    (#   3636:25  Unique         2.16, 3.43 A
)
 &rst
  ixpk= 3636, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1241,1242,
 &end
#
#   18 ALA  HN           17 MET  HB+         4.50    (#   3637:25  Unique         2.45, 3.01 A
)
 &rst
  ixpk= 3637, nxpk= 25, iat= 296,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 283, 284,
 &end
#
#   35 CYS  HN            7 VAL  MGY         5.50    (#   3638:25  Unique         3.68, 5.27 A
)
 &rst
  ixpk= 3638, nxpk= 25, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   18 ALA  HN            0 AMB  25-1:3639   4.50    (#   3639:25  Single Ambig
)
 &rst
  ixpk= 3639, nxpk= 25, iat= 296,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 253, 229,
 &end
#
#   21 PHE  HE          120 LYS  HD-         4.50    (#   3642:25  Unique         2.91, 4.69 A
)
 &rst
  ixpk= 3642, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 338, 342,
 igr2=1806,1807,
 &end
#
#   21 PHE  HE          120 LYS  HD+         4.50    (#   3643:25  Unique         2.91, 4.69 A
)
 &rst
  ixpk= 3643, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 338, 342,
 igr2=1806,1807,
 &end
#
#    3 LYS  HN           31 ALA  MB          5.50    (#   3645:25  Unique         5.07, 6.46 A
)
 &rst
  ixpk= 3645, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 482, 483, 484,
 &end
#
#    0 AMB  25-2:3646   121 GLU  HA          2.80    (#   3646:25  Single Ambig
)
 &rst
  ixpk= 3646, nxpk= 25, iat=  -1,1820, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1822,1823,1877,1878,
 &end
#
#   17 MET  ME          101 LEU  HB+         5.50    (#   3651:25  Unique         6.28, 7.33 A
)
 &rst
  ixpk= 3651, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 290, 291, 292,
 igr2=1505,1506,
 &end
#
#   90 TRP  HB+           7 VAL  MGX         5.50    (#   3652:25  Unique         2.78, 5.34 A
)
 &rst
  ixpk= 3652, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:3653     4 VAL  MGY         5.50    (#   3653:25  Single Ambig
)
 &rst
  ixpk= 3653, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1131,1115,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#  114 THR  HN          115 VAL  HB          5.50    (#   3654:25  Unique         4.78, 4.85 A
)
 &rst
  ixpk= 3654, nxpk= 25, iat=1702,1720, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3655     0 AMB  25-1:3655   4.50    (#   3655:25  Double Ambig
)
 &rst
  ixpk= 3655, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 721, 722, 723, 365, 366,
 igr2= 690, 350,
 &end
#
#    0 AMB  25-2:3657    34 SER  HB-         5.50    (#   3657:25  Single Ambig
)
 &rst
  ixpk= 3657, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 200, 201, 306,
 igr2= 522, 523,
 &end
#
#    5 MET  HN           75 VAL  HB          5.50    (#   3658:25  Unique         3.26, 5.39 A
)
 &rst
  ixpk= 3658, nxpk= 25, iat=  81,1103, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 ALA  MB            1 MET  HG+         5.50    (#   3659:25  Unique         3.20, 4.66 A
)
 &rst
  ixpk= 3659, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 482, 483, 484,
 igr2=  11,  12,
 &end
#
#   31 ALA  MB            1 MET  HG-         5.50    (#   3660:25  Unique         3.20, 4.66 A
)
 &rst
  ixpk= 3660, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 482, 483, 484,
 igr2=  11,  12,
 &end
#
#   68 PHE  HN           67 ASN  HB-         5.50    (#   3661:25  Unique         2.82, 3.88 A
)
 &rst
  ixpk= 3661, nxpk= 25, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 988, 989,
 &end
#
#   68 PHE  HN           67 ASN  HB+         5.50    (#   3662:25  Unique         2.82, 3.88 A
)
 &rst
  ixpk= 3662, nxpk= 25, iat= 998,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 988, 989,
 &end
#
#   74 ASP  HB-           2 LYS  HG-         5.50    (#   3666:25  Unique         4.84, 5.31 A
)
 &rst
  ixpk= 3666, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1091,1092,
 igr2=  28,  29,
 &end
#
#    0 AMB  25-2:3667     0 AMB  25-1:3667   3.50    (#   3667:25  Double Ambig
)
 &rst
  ixpk= 3667, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 465, 466, 467,1978,1979,1980,
 igr2=  28,  29,  28,  29,
 &end
#
#  130 ILE  QD1           2 LYS  HG+         4.50    (#   3668:25  Unique         3.12, 5.30 A
)
 &rst
  ixpk= 3668, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1985,1986,1987,
 igr2=  28,  29,
 &end
#
#  114 THR  HB          111 VAL  MGX         5.50    (#   3673:25  Unique         4.01, 5.27 A
)
 &rst
  ixpk= 3673, nxpk= 25, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#   90 TRP  HA            7 VAL  MGY         5.50    (#   3676:25  Unique         5.10, 7.34 A
)
 &rst
  ixpk= 3676, nxpk= 25, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   77 ILE  QG2          77 ILE  HG1-        4.50    (#   3678:25  Unique         2.29, 3.45 A
)
 &rst
  ixpk= 3678, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1137,1138,1139,
 igr2=1141,1142,
 &end
#
#   77 ILE  QG2          77 ILE  HG1+        3.50    (#   3679:25  Unique         2.29, 3.45 A
)
 &rst
  ixpk= 3679, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1137,1138,1139,
 igr2=1141,1142,
 &end
#
#  125 ASN  HA            0 AMB  25-1:3680   5.50    (#   3680:25  Single Ambig
)
 &rst
  ixpk= 3680, nxpk= 25, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1877,1878,1822,1823,
 &end
#
#   34 SER  HA           33 THR  HA          5.50    (#   3683:25  Unique         4.39, 4.45 A
)
 &rst
  ixpk= 3683, nxpk= 25, iat= 520, 506, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  25-2:3686    75 VAL  MGX         4.50    (#   3686:25  Single Ambig
)
 &rst
  ixpk= 3686, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1906,1907,1383,1384,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#  104 PRO  HB-          17 MET  ME          5.50    (#   3687:25  Unique         3.16, 4.27 A
)
 &rst
  ixpk= 3687, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1554,1555,
 igr2= 290, 291, 292,
 &end
#
#  100 GLN  HB+          81 GLY  HA+         5.50    (#   3690:25  Unique         2.19, 4.54 A
)
 &rst
  ixpk= 3690, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1488,1489,
 igr2=1193,1194,
 &end
#
#  120 LYS  HA          123 VAL  MGY         3.50    (#   3694:25  Unique         2.96, 4.30 A
)
 &rst
  ixpk= 3694, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#  120 LYS  HA           18 ALA  MB          5.50    (#   3695:25  Unique         5.08, 5.82 A
)
 &rst
  ixpk= 3695, nxpk= 25, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 300, 301, 302,
 &end
#
#   11 ASN  HB-           8 CYS  HB+         5.50    (#   3697:25  Unique         3.53, 6.20 A
)
 &rst
  ixpk= 3697, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 195, 196,
 igr2= 138, 139,
 &end
#
#   79 LEU  HB-           8 CYS  HB-         3.50    (#   3698:25  Unique         2.07, 3.71 A
)
 &rst
  ixpk= 3698, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1165,1166,
 igr2= 138, 139,
 &end
#
#   79 LEU  HB+           8 CYS  HB-         5.50    (#   3699:25  Unique         2.07, 3.71 A
)
 &rst
  ixpk= 3699, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1165,1166,
 igr2= 138, 139,
 &end
#
#   21 PHE  HA          123 VAL  MGX         4.50    (#   3702:25  Unique         4.74, 6.17 A
)
 &rst
  ixpk= 3702, nxpk= 25, iat= 330,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   42 VAL  MGY          62 SER  HB-         4.50    (#   3703:25  Unique         2.20, 5.51 A
)
 &rst
  ixpk= 3703, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 917, 918,
 &end
#
#   68 PHE  HB-           5 MET  ME          4.50    (#   3704:25  Unique         2.20, 3.53 A
)
 &rst
  ixpk= 3704, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1002,1003,
 igr2=  92,  93,  94,
 &end
#
#   73 TYR  HB-           5 MET  ME          5.50    (#   3705:25  Unique         3.79, 5.46 A
)
 &rst
  ixpk= 3705, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1070,1071,
 igr2=  92,  93,  94,
 &end
#
#   73 TYR  HB+           5 MET  ME          5.50    (#   3706:25  Unique         3.79, 5.46 A
)
 &rst
  ixpk= 3706, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1070,1071,
 igr2=  92,  93,  94,
 &end
#
#   45 THR  HN           44 PRO  HD-         5.50    (#   3707:25  Unique         2.41, 3.23 A
)
 &rst
  ixpk= 3707, nxpk= 25, iat= 674,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 661, 662,
 &end
#
#    3 LYS  HN            3 LYS  HE+         5.50    (#   3711:25  Unique         4.08, 5.84 A
)
 &rst
  ixpk= 3711, nxpk= 25, iat=  43,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  56,  57,
 &end
#
#    0 AMB  25-2:3713     0 AMB  25-1:3713   5.50    (#   3713:25  Double Ambig
)
 &rst
  ixpk= 3713, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  45, 461,
 igr2=  56,  57,  56,  57,
 &end
#
#   67 ASN  HD2-         64 PRO  HG-         5.50    (#   3714:25  Unique         2.57, 5.65 A
)
 &rst
  ixpk= 3714, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 993, 994,
 igr2= 940, 941,
 &end
#
#    4 VAL  HN           31 ALA  MB          5.50    (#   3715:25  Unique         4.27, 5.10 A
)
 &rst
  ixpk= 3715, nxpk= 25, iat=  65,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 482, 483, 484,
 &end
#
#   60 GLN  HN           57 ILE  HA          5.50    (#   3716:25  Unique         3.24, 3.46 A
)
 &rst
  ixpk= 3716, nxpk= 25, iat= 882, 847, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  130 ILE  HA          131 SER  HB-         5.50    (#   3721:25  Unique         5.43, 6.00 A
)
 &rst
  ixpk= 3721, nxpk= 25, iat=1974,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1995,1996,
 &end
#
#   76 VAL  HN           75 VAL  MGX         4.50    (#   3722:25  Unique         2.42, 4.34 A
)
 &rst
  ixpk= 3722, nxpk= 25, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   11 ASN  HD2-         11 ASN  HA          4.50    (#   3724:25  Unique         2.32, 4.34 A
)
 &rst
  ixpk= 3724, nxpk= 25, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 200, 201,
 &end
#
#   86 LEU  HN           86 LEU  MDY         5.50    (#   3725:25  Unique         3.10, 4.22 A
)
 &rst
  ixpk= 3725, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1255,1256,1257,1259,1260,1261,
 &end
#
#   85 ASN  HN           84 VAL  MGX         5.50    (#   3726:25  Unique         2.19, 4.02 A
)
 &rst
  ixpk= 3726, nxpk= 25, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    7 VAL  HN           79 LEU  MDX         5.50    (#   3727:25  Unique         1.99, 4.47 A
)
 &rst
  ixpk= 3727, nxpk= 25, iat= 118,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HN           79 LEU  MDX         4.50    (#   3729:25  Unique         2.53, 4.60 A
)
 &rst
  ixpk= 3729, nxpk= 25, iat=1161,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    9 LYS  HG-          80 CYS  HA          5.50    (#   3731:25  Unique         2.14, 3.29 A
)
 &rst
  ixpk= 3731, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 152, 153,
 &end
#
#   79 LEU  HG           79 LEU  MDX         2.80    (#   3732:25  Unique         2.30, 2.64 A
)
 &rst
  ixpk= 3732, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   14 ARG  HA          119 VAL  MGY         4.50    (#   3733:25  Unique         3.00, 4.42 A
)
 &rst
  ixpk= 3733, nxpk= 25, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   21 PHE  HB+         119 VAL  MGY         5.50    (#   3734:25  Unique         4.05, 7.24 A
)
 &rst
  ixpk= 3734, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 332, 333,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   10 ARG  HA           38 GLU  HB-         5.50    (#   3735:25  Unique         3.05, 4.20 A
)
 &rst
  ixpk= 3735, nxpk= 25, iat= 169,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 570, 571,
 &end
#
#   12 SER  HA           16 GLN  HG+         5.50    (#   3743:25  Unique         2.21, 3.04 A
)
 &rst
  ixpk= 3743, nxpk= 25, iat= 207,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 269, 270,
 &end
#
#   95 ILE  HG1+         95 ILE  QG2         3.50    (#   3744:25  Unique         2.73, 3.67 A
)
 &rst
  ixpk= 3744, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1404,1405,
 igr2=1400,1401,1402,
 &end
#
#   95 ILE  HG1-         95 ILE  QG2         3.50    (#   3745:25  Unique         2.73, 3.67 A
)
 &rst
  ixpk= 3745, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1404,1405,
 igr2=1400,1401,1402,
 &end
#
#   22 ALA  HN          123 VAL  MGY         5.50    (#   3746:25  Unique         2.63, 3.95 A
)
 &rst
  ixpk= 3746, nxpk= 25, iat= 348,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   26 GLY  HN           23 LYS  HA          4.50    (#   3747:25  Unique         3.40, 3.45 A
)
 &rst
  ixpk= 3747, nxpk= 25, iat= 413, 360, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 ASP  HB-          65 ILE  HA          5.50    (#   3749:25  Unique         5.46, 6.61 A
)
 &rst
  ixpk= 3749, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 928, 929,
 &end
#
#   91 VAL  HN           88 PRO  HB-         5.50    (#   3750:25  Unique         4.22, 5.53 A
)
 &rst
  ixpk= 3750, nxpk= 25, iat=1332,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1286,1287,
 &end
#
#   31 ALA  HN            1 MET  HG-         4.50    (#   3751:25  Unique         2.94, 3.53 A
)
 &rst
  ixpk= 3751, nxpk= 25, iat= 478,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  11,  12,
 &end
#
#   91 VAL  MGY          88 PRO  HD-         5.50    (#   3762:25  Unique         4.46, 7.15 A
)
 &rst
  ixpk= 3762, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1338,1339,1340,1342,1343,1344,
 igr2=1280,1281,
 &end
#
#    7 VAL  MGX          88 PRO  HD-         5.50    (#   3763:25  Unique         5.26, 7.78 A
)
 &rst
  ixpk= 3763, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 124, 125, 126, 128, 129, 130,
 igr2=1280,1281,
 &end
#
#    0 AMB  25-2:3765    88 PRO  HD-         5.50    (#   3765:25  Single Ambig
)
 &rst
  ixpk= 3765, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1253, 554,
 igr2=1280,1281,
 &end
#
#   90 TRP  HN           88 PRO  HD+         5.50    (#   3767:25  Unique         4.30, 5.02 A
)
 &rst
  ixpk= 3767, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1280,1281,
 &end
#
#   90 TRP  HN           88 PRO  HD-         5.50    (#   3768:25  Unique         4.30, 5.02 A
)
 &rst
  ixpk= 3768, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1280,1281,
 &end
#
#   86 LEU  HN           88 PRO  HD+         5.50    (#   3769:25  Unique         4.87, 5.84 A
)
 &rst
  ixpk= 3769, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1280,1281,
 &end
#
#   86 LEU  HN           88 PRO  HD-         5.50    (#   3770:25  Unique         4.87, 5.84 A
)
 &rst
  ixpk= 3770, nxpk= 25, iat=1246,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1280,1281,
 &end
#
#   90 TRP  HE1          88 PRO  HD-         5.50    (#   3772:25  Unique         5.62, 6.04 A
)
 &rst
  ixpk= 3772, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1280,1281,
 &end
#
#   93 GLN  HE2-         89 GLU  HA          4.50    (#   3773:25  Unique         3.71, 4.83 A
)
 &rst
  ixpk= 3773, nxpk= 25, iat=  -1,1295, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   89 GLU  HN            0 AMB  25-1:3777   4.50    (#   3777:25  Single Ambig
)
 &rst
  ixpk= 3777, nxpk= 25, iat=1293,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1300,1301,1300,1301,
 &end
#
#   89 GLU  HN           90 TRP  HA          5.50    (#   3778:25  Unique         4.68, 5.20 A
)
 &rst
  ixpk= 3778, nxpk= 25, iat=1293,1310, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   70 ALA  MB           90 TRP  HB+         5.50    (#   3787:25  Unique         2.98, 4.56 A
)
 &rst
  ixpk= 3787, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1036,1037,1038,
 igr2=1312,1313,
 &end
#
#   88 PRO  HD+          90 TRP  HB-         5.50    (#   3791:25  Unique         3.60, 5.55 A
)
 &rst
  ixpk= 3791, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1280,1281,
 igr2=1312,1313,
 &end
#
#   96 PHE  HB+          91 VAL  HB          5.50    (#   3798:25  Unique         5.05, 6.08 A
)
 &rst
  ixpk= 3798, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1417,1418,
 &end
#
#  103 ASP  HA          104 PRO  HB+         5.50    (#   3800:25  Unique         4.98, 5.37 A
)
 &rst
  ixpk= 3800, nxpk= 25, iat=1537,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1554,1555,
 &end
#
#    0 AMB  25-2:3801    91 VAL  HB          5.50    (#   3801:25  Single Ambig
)
 &rst
  ixpk= 3801, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1236,1237,1417,1418,
 &end
#
#   92 THR  MG2          91 VAL  HB          4.50    (#   3802:25  Unique         3.34, 5.74 A
)
 &rst
  ixpk= 3802, nxpk= 25, iat=  -1,1336, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1354,1355,1356,
 &end
#
#   34 SER  HA            7 VAL  MGX         5.50    (#   3806:25  Unique         4.66, 6.53 A
)
 &rst
  ixpk= 3806, nxpk= 25, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:3807     7 VAL  MGX         5.50    (#   3807:25  Single Ambig
)
 &rst
  ixpk= 3807, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 542, 543, 136,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:3809     7 VAL  MGX         5.50    (#   3809:25  Single Ambig
)
 &rst
  ixpk= 3809, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1133,1248,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  HA            7 VAL  MGX         5.50    (#   3810:25  Unique         3.94, 5.88 A
)
 &rst
  ixpk= 3810, nxpk= 25, iat= 952,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#    0 AMB  25-2:3812     0 AMB  25-1:3812   5.50    (#   3812:25  Double Ambig
)
 &rst
  ixpk= 3812, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1248,1133,
 igr2=1338,1339,1340,1342,1343,1344,  71,  72,  73,  75,
        76,  77,
 &end
#
#    0 AMB  25-2:3814    91 VAL  MGY         5.50    (#   3814:25  Single Ambig
)
 &rst
  ixpk= 3814, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1154,1155,1280,1281,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HB-           7 VAL  MGX         5.50    (#   3816:25  Unique         2.78, 5.34 A
)
 &rst
  ixpk= 3816, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1312,1313,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#  126 LEU  HB+           4 VAL  MGY         5.50    (#   3818:25  Unique         4.87, 6.57 A
)
 &rst
  ixpk= 3818, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1906,1907,
 igr2=  71,  72,  73,  75,  76,  77,
 &end
#
#   88 PRO  HG+           7 VAL  MGX         5.50    (#   3819:25  Unique         4.48, 6.68 A
)
 &rst
  ixpk= 3819, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1283,1284,
 igr2= 124, 125, 126, 128, 129, 130,
 &end
#
#  126 LEU  HB+          75 VAL  MGY         3.50    (#   3824:25  Unique         3.19, 5.98 A
)
 &rst
  ixpk= 3824, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1906,1907,
 igr2=1105,1106,1107,1109,1110,1111,
 &end
#
#   62 SER  HB-          42 VAL  MGY         3.50    (#   3827:25  Unique         2.20, 5.51 A
)
 &rst
  ixpk= 3827, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 917, 918,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#    0 AMB  25-2:3828    42 VAL  MGY         3.50    (#   3828:25  Single Ambig
)
 &rst
  ixpk= 3828, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 647, 648, 286, 287,
 igr2= 633, 634, 635, 637, 638, 639,
 &end
#
#   85 ASN  HB-          91 VAL  MGX         5.50    (#   3830:25  Unique         2.50, 5.90 A
)
 &rst
  ixpk= 3830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1236,1237,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   88 PRO  HG-          91 VAL  MGX         5.50    (#   3833:25  Unique         3.92, 7.31 A
)
 &rst
  ixpk= 3833, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1283,1284,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  HA           76 VAL  MGY         3.50    (#   3838:25  Unique         3.68, 5.66 A
)
 &rst
  ixpk= 3838, nxpk= 25, iat=1334,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#  111 VAL  HA          114 THR  MG2         4.50    (#   3840:25  Unique         4.19, 4.88 A
)
 &rst
  ixpk= 3840, nxpk= 25, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1708,1709,1710,
 &end
#
#    0 AMB  25-2:3841     0 AMB  25-1:3841   4.50    (#   3841:25  Double Ambig
)
 &rst
  ixpk= 3841, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1300,1301,1283,1284,
 igr2=1354,1355,1356,1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  25-2:3842    76 VAL  MGY         4.50    (#   3842:25  Single Ambig
)
 &rst
  ixpk= 3842, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1366,1367,1070,1071,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   73 TYR  HB+          76 VAL  MGY         5.50    (#   3843:25  Unique         2.46, 4.79 A
)
 &rst
  ixpk= 3843, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1070,1071,
 igr2=1121,1122,1123,1125,1126,1127,
 &end
#
#   90 TRP  HB+          86 LEU  HG          4.50    (#   3848:25  Unique         4.40, 5.04 A
)
 &rst
  ixpk= 3848, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1312,1313,
 &end
#
#   89 GLU  HA           70 ALA  MB          5.50    (#   3849:25  Unique         4.64, 5.95 A
)
 &rst
  ixpk= 3849, nxpk= 25, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1036,1037,1038,
 &end
#
#   93 GLN  HE2-         89 GLU  HB+         5.50    (#   3850:25  Unique         2.48, 3.67 A
)
 &rst
  ixpk= 3850, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1374,1375,
 igr2=1297,1298,
 &end
#
#  103 ASP  HB+          10 ARG  HG+         4.50    (#   3852:25  Unique         4.74, 6.37 A
)
 &rst
  ixpk= 3852, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1539,1540,
 igr2= 174, 175,
 &end
#
#   93 GLN  HE2-         90 TRP  HA          4.50    (#   3853:25  Unique         3.06, 4.18 A
)
 &rst
  ixpk= 3853, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   76 VAL  MGY          90 TRP  HA          4.50    (#   3854:25  Unique         2.50, 4.16 A
)
 &rst
  ixpk= 3854, nxpk= 25, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   91 VAL  MGX          92 THR  HB          5.50    (#   3855:25  Unique         2.32, 5.30 A
)
 &rst
  ixpk= 3855, nxpk= 25, iat=  -1,1352, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   86 LEU  HB-          91 VAL  MGY         3.50    (#   3857:25  Unique         2.16, 4.77 A
)
 &rst
  ixpk= 3857, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1250,1251,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HN           91 VAL  MGY         5.50    (#   3088:25  Double Ambig 
)
 &rst
  ixpk= 3088, nxpk= 25, iat=1308,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#   65 ILE  QD1          65 ILE  HA          3.50    (#    125:25  Unique         4.08, 4.43 A
)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1, 952, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 963, 964, 965,
 &end
#
#   29 LYS  HN           29 LYS  HD+         5.50    (#   2364:25  Unique         2.07, 3.58 A
)
 &rst
  ixpk= 2364, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 447, 448,
 &end
#
#    0 AMB  25-2:2497    42 VAL  HA          4.50    (#   2497:25  Double Ambig
)
 &rst
  ixpk= 2497, nxpk= 25, iat=  -1, 629, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 647, 648, 613, 614,
 &end
#
#   91 VAL  HN           88 PRO  HA          5.50    (#   2764:25  Double Ambig
)
 &rst
  ixpk= 2764, nxpk= 25, iat=1332,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 PHE  HE           98 ASP  HA          4.50    (#   2997:25  Single Ambig
)
 &rst
  ixpk= 2997, nxpk= 25, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1423,1427,
 &end
#
#   96 PHE  HB+          91 VAL  MGY         5.50    (#   3087:25  Double Ambig
)
 &rst
  ixpk= 3087, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1417,1418,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#  114 THR  MG2         115 VAL  HA          3.50    (#     45:25  Double Ambig
)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,1718, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1708,1709,1710,
 &end
#
#    0 AMB  25-2:104     88 PRO  HA          3.50    (#    104:25  Double Ambig
)
 &rst
  ixpk= 104, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1283,1284,1300,1301,
 &end
#
#  110 GLU  HB+         110 GLU  HA          2.80    (#    285:25  Double Ambig
)
 &rst
  ixpk= 285, nxpk= 25, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1631,1632,
 &end
#
#   94 GLU  HN           94 GLU  HG-         3.50    (#    958:25  Double Ambig 
)
 &rst
  ixpk= 958, nxpk= 25, iat=1379,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1386,1387,
 &end
#
#   51 GLU  HA           51 GLU  HB-         2.80    (#   1272:25  Double Ambig 
)
 &rst
  ixpk= 1272, nxpk= 25, iat= 763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 765, 766,
 &end
#
#   18 ALA  MB          119 VAL  MGX         3.50    (#   1560:25  Double Ambig 
)
 &rst
  ixpk= 1560, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 300, 301, 302,
 igr2=1786,1787,1788,1790,1791,1792,
 &end
#
#   33 THR  HA           33 THR  MG2         2.80    (#   1572:25  Double Ambig
)
 &rst
  ixpk= 1572, nxpk= 25, iat= 506,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 510, 511, 512,
 &end
#
#   33 THR  HB           33 THR  MG2         3.50    (#   1573:25  Double Ambig  
)
 &rst
  ixpk= 1573, nxpk= 25, iat= 508,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 510, 511, 512,
 &end
#
#    0 AMB  25-2:1579   111 VAL  MGY         2.80    (#   1579:25  Double Ambig
)
 &rst
  ixpk= 1579, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1587,1588,1646,
 igr2=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  25-2:1602    37 LEU  MDY         2.80    (#   1602:25  Double Ambig
)
 &rst
  ixpk= 1602, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 551, 552, 554,
 igr2= 556, 557, 558, 560, 561, 562,
 &end
#
#   91 VAL  HB           91 VAL  MGY         2.80    (#   1693:25  Double Ambig
)
 &rst
  ixpk= 1693, nxpk= 25, iat=1336,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1338,1339,1340,1342,1343,1344,
 &end
#
#  128 ALA  HA          128 ALA  MB          2.80    (#   1785:25  Double Ambig
)
 &rst
  ixpk= 1785, nxpk= 25, iat=1942,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1944,1945,1946,
 &end
#
#   58 SER  HA           47 ILE  QG2         4.50    (#   1822:25  Double Ambig
)
 &rst
  ixpk= 1822, nxpk= 25, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 704, 705, 706,
 &end
#
#  124 GLU  HA          127 ILE  QG2         4.50    (#   1824:25  Double Ambig
)
 &rst
  ixpk= 1824, nxpk= 25, iat=1875,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1927,1928,1929,
 &end
#
#    0 AMB  25-2:1825     0 AMB  25-1:1825   2.80    (#   1825:25  Double Ambig
)
 &rst
  ixpk= 1825, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1925,1103,
 igr2=1927,1928,1929,1978,1979,1980,
 &end
#
#   26 GLY  HA+         127 ILE  QG2         3.50    (#   1830:25  Double Ambig
)
 &rst
  ixpk= 1830, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 415, 416,
 igr2=1927,1928,1929,
 &end
#
#    0 AMB  25-2:2049     0 AMB  25-1:2049   5.50    (#   2049:25  Double Ambig
)
 &rst
  ixpk= 2049, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1=1786,1787,1788,1790,1791,1792,1551,1552,
 igr2= 102, 103,1539,1540,
 &end
#
#   37 LEU  HN           37 LEU  HA          2.80    (#   2175:25  Double Ambig
)
 &rst
  ixpk= 2175, nxpk= 25, iat= 547, 549, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 THR  HN           25 LEU  HG          5.50    (#   2330:25  Double Ambig  
)
 &rst
  ixpk= 2330, nxpk= 25, iat= 380, 401, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HE          119 VAL  HB          3.50    (#   2434:25  Single Ambig  
)
 &rst
  ixpk= 2434, nxpk= 25, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 338, 342,
 &end
#
#   95 ILE  QG2          97 GLU  HG-         3.50    (#   2470:25  Double Ambig
)
 &rst
  ixpk= 2470, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1400,1401,1402,
 igr2=1440,1441,
 &end
#
#   77 ILE  QD1          97 GLU  HG-         4.50    (#   2471:25  Double Ambig
)
 &rst
  ixpk= 2471, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1144,1145,1146,
 igr2=1440,1441,
 &end
#
#   86 LEU  HG           85 ASN  HA          4.50    (#   3001:25  Double Ambig
)
 &rst
  ixpk= 3001, nxpk= 25, iat=1253,1234, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:3003    85 ASN  HA          3.50    (#   3003:25  Double Ambig
)
 &rst
  ixpk= 3003, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,
 &end
#
#   86 LEU  MDX          86 LEU  HG          2.80    (#   3034:25  Single Ambig
)
 &rst
  ixpk= 3034, nxpk= 25, iat=  -1,1253, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#    0 AMB  25-2:3109    95 ILE  HA          4.50    (#   3109:25  Double Ambig 
)
 &rst
  ixpk= 3109, nxpk= 25, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1386,1387,1383,1384,1440,1441,
 &end
#
#  100 GLN  HN          100 GLN  HG+         4.50    (#   3197:25  Double Ambig 
)
 &rst
  ixpk= 3197, nxpk= 25, iat=1484,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1491,1492,
 &end
#
#   15 SER  HA            8 CYS  HB+         5.50    (#   3700:25  Double Ambig
)
 &rst
  ixpk= 3700, nxpk= 25, iat= 253,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 138, 139,
 &end
#
#   21 PHE  HB+         123 VAL  MGY         3.50    (#   1477:25  Double Ambig
)
 &rst
  ixpk= 1477, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 332, 333,
 igr2=1863,1864,1865,1867,1868,1869,
 &end
#
#   25 LEU  HN           25 LEU  MDX         3.50    (#   1465:25  Double Ambig
)
 &rst
  ixpk= 1465, nxpk= 25, iat= 394,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 403, 404, 405, 407, 408, 409,
 &end
#
#   93 GLN  HN           92 THR  MG2         5.50    (#   3837:25  Double Ambig
)
 &rst
  ixpk= 3837, nxpk= 25, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1354,1355,1356,
 &end
#
#   91 VAL  MGX          88 PRO  HA          4.50    (#    106:25  Unique         2.34, 5.34 A
)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   95 ILE  HA           96 PHE  HB-         5.50    (#   3145:25  Single Ambig
)
 &rst
  ixpk= 3145, nxpk= 25, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1417,1418,
 &end
#
#   29 LYS  HN           29 LYS  HB-         3.50    (#    976:25  Single Ambig
)
 &rst
  ixpk= 976, nxpk= 25, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 441, 442,
 &end
#
#   79 LEU  HB-          79 LEU  HG          2.80    (#   1318:25  Single Ambig
)
 &rst
  ixpk= 1318, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1165,1166,
 &end
#
#   79 LEU  HB+          79 LEU  HG          2.80    (#   1331:25  Double Ambig
)
 &rst
  ixpk= 1331, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1165,1166,
 &end
#
#   57 ILE  HB           57 ILE  HG1-        2.80    (#   3868:25  Double Ambig
)
 &rst
  ixpk= 3868, nxpk= 25, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 855, 856,
 &end
#
#   79 LEU  HA           79 LEU  HG          4.50    (#   1315:25  Single Ambig
)
 &rst
  ixpk= 1315, nxpk= 25, iat=1163,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HA           79 LEU  HG          4.50    (#   3869:25  Single Ambig
)
 &rst
  ixpk= 3869, nxpk= 25, iat=1152,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HB-          79 LEU  HG          4.50    (#   1316:25  Single Ambig
)
 &rst
  ixpk= 1316, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1154,1155,
 &end
#
#   15 SER  HA           79 LEU  HG          4.50    (#   3870:25  Single Ambig
)
 &rst
  ixpk= 3870, nxpk= 25, iat= 253,1168, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 ARG  HB+          79 LEU  HG          4.50    (#   2959:25  Single Ambig
)
 &rst
  ixpk= 2959, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 231, 232,
 &end
#
#    6 PHE  HB-          79 LEU  HG          3.50    (#   3871:25  Single Ambig
)
 &rst
  ixpk= 3871, nxpk= 25, iat=  -1,1168, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#   79 LEU  HG            6 PHE  HB+         5.50    (#   3922:25  Single Ambig
)
 &rst
  ixpk= 3922, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#   79 LEU  HG            6 PHE  HB-         5.50    (#   3923:25  Single Ambig
)
 &rst
  ixpk= 3923, nxpk= 25, iat=1168,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 102, 103,
 &end
#
#    9 LYS  HD-          80 CYS  HA          3.50    (#   2961:25  Single Ambig
)
 &rst
  ixpk= 2961, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 155, 156,
 &end
#
#    9 LYS  HG+          80 CYS  HA          3.50    (#   3872:25  Single Ambig
)
 &rst
  ixpk= 3872, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 152, 153,
 &end
#
#   79 LEU  HA           79 LEU  MDX         4.50    (#   3604:25  Single Ambig
)
 &rst
  ixpk= 3604, nxpk= 25, iat=1163,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   78 SER  HA           79 LEU  MDX         4.50    (#   3873:25  Single Ambig
)
 &rst
  ixpk= 3873, nxpk= 25, iat=1152,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#    8 CYS  HN           79 LEU  MDX         4.50    (#   3874:25  Single Ambig
)
 &rst
  ixpk= 3874, nxpk= 25, iat= 134,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  MDX          80 CYS  HA          4.50    (#   3875:25  Single Ambig
)
 &rst
  ixpk= 3875, nxpk= 25, iat=  -1,1182, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   81 GLY  HN           80 CYS  HB+         5.50    (#   3876:25  Unique         2.39, 3.04 A
)
 &rst
  ixpk= 3876, nxpk= 25, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1184,1185,
 &end
#
#   81 GLY  HN           80 CYS  HB-         5.50    (#   3877:25  Unique         2.39, 3.04 A
)
 &rst
  ixpk= 3877, nxpk= 25, iat=1191,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1184,1185,
 &end
#
#   84 VAL  MGX          80 CYS  HB+         3.50    (#   2972:25  Double Ambig
)
 &rst
  ixpk= 2972, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1184,1185,
 &end
#
#   84 VAL  MGY          80 CYS  HB+         3.50    (#   3878:25  Double Ambig
)
 &rst
  ixpk= 3878, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1184,1185,
 &end
#
#   84 VAL  MGX          80 CYS  HB-         3.50    (#   1270:25  Single Ambig
)
 &rst
  ixpk= 1270, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1184,1185,
 &end
#
#   84 VAL  MGY          80 CYS  HB-         3.50    (#   3879:25  Single Ambig
)
 &rst
  ixpk= 3879, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1184,1185,
 &end
#
#   82 CYS  HB+          81 GLY  HA+         5.50    (#   3691:25  Double Ambig
)
 &rst
  ixpk= 3691, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1202,1203,
 igr2=1193,1194,
 &end
#
#   82 CYS  HB+          81 GLY  HA-         5.50    (#   3881:25  Double Ambig
)
 &rst
  ixpk= 3881, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1202,1203,
 igr2=1193,1194,
 &end
#
#  100 GLN  HB+          81 GLY  HA-         5.50    (#   3883:25  Unique         2.19, 4.54 A
)
 &rst
  ixpk= 3883, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1488,1489,
 igr2=1193,1194,
 &end
#
#  100 GLN  HG-          81 GLY  HA+         5.50    (#   3884:25  Unique         2.19, 4.54 A
)
 &rst
  ixpk= 3884, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1491,1492,
 igr2=1193,1194,
 &end
#
#  100 GLN  HG-          81 GLY  HA-         5.50    (#   3885:25  Unique         2.19, 4.54 A
)
 &rst
  ixpk= 3885, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1491,1492,
 igr2=1193,1194,
 &end
#
#   84 VAL  MGX          81 GLY  HA+         5.50    (#   3886:25  Unique         2.19, 4.54 A
)
 &rst
  ixpk= 3886, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1193,1194,
 &end
#
#   84 VAL  MGY          81 GLY  HA+         5.50    (#   3917:25  Unique         2.19, 4.54 A
)
 &rst
  ixpk= 3917, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1193,1194,
 &end
#
#   84 VAL  MGX          81 GLY  HA-         5.50    (#   3887:25  Unique         2.19, 4.54 A
)
 &rst
  ixpk= 3887, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1193,1194,
 &end
#
#   84 VAL  MGY          81 GLY  HA-         5.50    (#   3918:25  Unique         2.19, 4.54 A
)
 &rst
  ixpk= 3918, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1193,1194,
 &end
#
#  100 GLN  HG-          82 CYS  HA          5.50    (#   3888:25  Unique         4.11, 5.40 A
)
 &rst
  ixpk= 3888, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1491,1492,
 &end
#
#   84 VAL  MGY          82 CYS  HA          5.50    (#   3889:25  Unique         4.11, 5.40 A
)
 &rst
  ixpk= 3889, nxpk= 25, iat=  -1,1200, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   83 GLY  HA+          82 CYS  HB+         4.50    (#   3891:25  Unique         4.11, 5.40 A
)
 &rst
  ixpk= 3891, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1211,1212,
 igr2=1202,1203,
 &end
#
#  100 GLN  HE2+         82 CYS  HB+         5.50    (#   3893:25  Unique         4.11, 5.40 A
)
 &rst
  ixpk= 3893, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1496,1497,
 igr2=1202,1203,
 &end
#
#   84 VAL  MGX          83 GLY  HA+         4.50    (#   2624:25  Double Ambig
)
 &rst
  ixpk= 2624, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGY          83 GLY  HA+         4.50    (#   3894:25  Double Ambig
)
 &rst
  ixpk= 3894, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGX          83 GLY  HA-         4.50    (#   2625:25  Single Ambig
)
 &rst
  ixpk= 2625, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGY          83 GLY  HA-         4.50    (#   3895:25  Single Ambig
)
 &rst
  ixpk= 3895, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1222,1223,1224,1226,1227,1228,
 igr2=1211,1212,
 &end
#
#   84 VAL  MGX          84 VAL  HA          2.80    (#    186:25  Single Ambig
)
 &rst
  ixpk= 186, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          84 VAL  HA          2.80    (#   3896:25  Single Ambig
)
 &rst
  ixpk= 3896, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   85 ASN  HB+          84 VAL  HA          4.50    (#   3897:25  Single Ambig
)
 &rst
  ixpk= 3897, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1236,1237,
 &end
#
#   85 ASN  HB-          84 VAL  HA          4.50    (#   3898:25  Single Ambig
)
 &rst
  ixpk= 3898, nxpk= 25, iat=  -1,1218, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1236,1237,
 &end
#
#   84 VAL  MGX          84 VAL  HB          2.80    (#   1084:25  Single Ambig
)
 &rst
  ixpk= 1084, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          84 VAL  HB          2.80    (#   3899:25  Single Ambig
)
 &rst
  ixpk= 3899, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   80 CYS  HB+          84 VAL  HB          3.50    (#   2095:25  Single Ambig
)
 &rst
  ixpk= 2095, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#    9 LYS  HE+          84 VAL  HB          3.50    (#   3900:25  Single Ambig
)
 &rst
  ixpk= 3900, nxpk= 25, iat=  -1,1220, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 158, 159,
 &end
#
#   80 CYS  HB+          84 VAL  MGY         3.50    (#   1626:25  Single Ambig
)
 &rst
  ixpk= 1626, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1184,1185,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#    9 LYS  HE+          84 VAL  MGY         3.50    (#   3904:25  Single Ambig
)
 &rst
  ixpk= 3904, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 158, 159,
 igr2=1222,1223,1224,1226,1227,1228,
 &end
#
#   85 ASN  HN           85 ASN  HA          3.50    (#   3907:25  Single Ambig
)
 &rst
  ixpk= 3907, nxpk= 25, iat=1232,1234, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 ASN  HD2-         85 ASN  HA          5.50    (#   3908:25  Unique         2.16, 3.43 A
)
 &rst
  ixpk= 3908, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1241,1242,
 &end
#
#   86 LEU  MDX          85 ASN  HA          3.50    (#   3909:25  Unique         2.16, 3.43 A
)
 &rst
  ixpk= 3909, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  MDY          85 ASN  HA          3.50    (#   3910:25  Unique         2.16, 3.43 A
)
 &rst
  ixpk= 3910, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HB-          85 ASN  HA          4.50    (#   3911:25  Unique         4.22, 5.11 A
)
 &rst
  ixpk= 3911, nxpk= 25, iat=  -1,1234, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1250,1251,
 &end
#
#   86 LEU  HA           85 ASN  HA          4.50    (#   3912:25  Unique         4.22, 5.11 A
)
 &rst
  ixpk= 3912, nxpk= 25, iat=1248,1234, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 LEU  HA           85 ASN  HB-         5.50    (#   3913:25  Unique         4.22, 5.11 A
)
 &rst
  ixpk= 3913, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1236,1237,
 &end
#
#   86 LEU  HA           85 ASN  HB+         5.50    (#   3914:25  Unique         4.22, 5.11 A
)
 &rst
  ixpk= 3914, nxpk= 25, iat=1248,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1236,1237,
 &end
#
#   84 VAL  HA           85 ASN  HB-         5.50    (#   3915:25  Unique         4.22, 5.11 A
)
 &rst
  ixpk= 3915, nxpk= 25, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1236,1237,
 &end
#
#   84 VAL  HA           85 ASN  HB+         5.50    (#   3916:25  Unique         4.22, 5.11 A
)
 &rst
  ixpk= 3916, nxpk= 25, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1236,1237,
 &end
#
#   79 LEU  MDX          15 SER  HA          2.80    (#    177:25  Double Ambig
)
 &rst
  ixpk= 177, nxpk= 25, iat=  -1, 253, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   47 ILE  QD1          58 SER  HA          2.80    (#   3920:25  Double Ambig
)
 &rst
  ixpk= 3920, nxpk= 25, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 711, 712, 713,
 &end
#
#   79 LEU  HG           15 SER  HA          4.50    (#    179:25  Double Ambig
)
 &rst
  ixpk= 179, nxpk= 25, iat=1168, 253, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 VAL  MGY          14 ARG  HA          3.50    (#   3921:25  Double Ambig
)
 &rst
  ixpk= 3921, nxpk= 25, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
# 76 VAL O 97 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1433, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 76 VAL O 97 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1129,1432, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 78 SER O 99 TRP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1460, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 78 SER O 99 TRP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1159,1459, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 77 ILE O 7 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1148, 118, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 77 ILE O 7 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1148, 117, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 75 VAL O 5 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1113,  81, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 75 VAL O 5 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1113,  80, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 31 ALA O 4 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  65, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 31 ALA O 4 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  64, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 33 THR O 6 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  98, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 33 THR O 6 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 516,  97, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 95 ILE O 76 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1115, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 95 ILE O 76 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1411,1114, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 97 GLU O 78 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1150, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 97 GLU O 78 SER N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1149, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 3 LYS O 75 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  63,1099, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 3 LYS O 75 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  63,1098, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 5 MET O 77 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  96,1131, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 5 MET O 77 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  96,1130, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 4 VAL O 33 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 504, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 4 VAL O 33 THR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 503, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 6 PHE O 35 CYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 529, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 6 PHE O 35 CYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 528, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 19 GLU O 23 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 358, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 19 GLU O 23 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 357, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 18 ALA O 22 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 348, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 18 ALA O 22 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 347, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 17 MET O 21 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 328, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 17 MET O 21 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 327, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 16 GLN O 20 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 321, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 16 GLN O 20 GLY N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 320, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 15 SER O 19 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 306, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 15 SER O 19 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 305, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 14 ARG O 18 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 296, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 14 ARG O 18 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 295, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 13 CYS O 17 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 279, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 13 CYS O 17 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 278, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 49 MET O 53 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 791, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 49 MET O 53 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 790, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 48 ALA O 52 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 776, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 48 ALA O 52 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 775, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 47 ILE O 51 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 761, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 47 ILE O 51 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 760, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 46 ALA O 50 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 744, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 46 ALA O 50 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 743, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 45 THR O 49 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 727, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 45 THR O 49 MET N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 686, 726, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 123 VAL O 127 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1921, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 123 VAL O 127 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1871,1920, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 122 ARG O 126 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1902, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 122 ARG O 126 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1855,1901, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 121 GLU O 125 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1888, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 121 GLU O 125 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1831,1887, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 120 LYS O 124 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1816,1873, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 120 LYS O 124 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1816,1872, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 119 VAL O 123 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1857, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 119 VAL O 123 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1794,1856, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 118 GLN O 122 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1833, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 118 GLN O 122 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1778,1832, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 117 GLY O 121 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1818, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 117 GLY O 121 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1761,1817, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 116 ARG O 120 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1796, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 116 ARG O 120 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1795, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 115 VAL O 119 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1780, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 115 VAL O 119 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1730,1779, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 114 THR O 118 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1714,1763, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 114 THR O 118 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1714,1762, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#   12 SER  HA           43 HIS  HN          4.50    (#      0:15  Unique         2.97, 3.25 A
)
 &rst
  ixpk= 0, nxpk= 15, iat= 207, 643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#   43 HIS  HA           43 HIS  HN          3.50    (#      1:15  Unique         2.82, 2.85 A
)
 &rst
  ixpk= 1, nxpk= 15, iat= 645, 643, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 VAL  HA           43 HIS  HN          2.80    (#      2:15  Unique         2.16, 2.21 A
)
 &rst
  ixpk= 2, nxpk= 15, iat= 629, 643, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   43 HIS  HB-          43 HIS  HN          3.50    (#      3:15  Unique         2.19, 2.45 A
)
 &rst
  ixpk= 3, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#   43 HIS  HB+          43 HIS  HN          2.80    (#      4:15  Unique         2.19, 2.45 A
)
 &rst
  ixpk= 4, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 647, 648,
 &end
#
#   42 VAL  MGY          43 HIS  HN          3.50    (#      5:15  Unique         2.48, 4.22 A
)
 &rst
  ixpk= 5, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   99 TRP  HZ2          99 TRP  HE1         3.50    (#      6:15  Unique         2.95, 2.97 A
)
 &rst
  ixpk= 6, nxpk= 15, iat=1473,1470, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HD1          99 TRP  HE1         2.80    (#      7:15  Unique         2.51, 2.54 A
)
 &rst
  ixpk= 7, nxpk= 15, iat=1468,1470, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   97 GLU  HG-          99 TRP  HE1         4.50    (#      8:15  Unique         3.05, 4.30 A
)
 &rst
  ixpk= 8, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1440,1441,
 &end
#
#    0 AMB  15-2:9       99 TRP  HE1         2.80    (#      9:15  Single Ambig
)
 &rst
  ixpk= 9, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1437,1438,1440,1441,
 &end
#
#   97 GLU  HB-          99 TRP  HE1         3.50    (#     10:15  Unique         2.37, 2.81 A
)
 &rst
  ixpk= 10, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1437,1438,
 &end
#
#   77 ILE  QD1          99 TRP  HE1         3.50    (#     11:15  Unique         2.16, 3.70 A
)
 &rst
  ixpk= 11, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1144,1145,1146,
 &end
#
#   77 ILE  QG2          99 TRP  HE1         4.50    (#     12:15  Unique         1.98, 4.03 A
)
 &rst
  ixpk= 12, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  15-2:17      70 ALA  HN          3.50    (#     17:15  Single Ambig
)
 &rst
  ixpk= 17, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1042,1321,
 &end
#
#   69 ASN  HA           70 ALA  HN          2.80    (#     18:15  Unique         2.14, 2.21 A
)
 &rst
  ixpk= 18, nxpk= 15, iat=1020,1032, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HB+          70 ALA  HN          4.50    (#     19:15  Unique         2.86, 3.78 A
)
 &rst
  ixpk= 19, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#   69 ASN  HB-          70 ALA  HN          4.50    (#     20:15  Unique         2.86, 3.78 A
)
 &rst
  ixpk= 20, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#   70 ALA  MB           70 ALA  HN          2.80    (#     22:15  Unique         2.29, 2.91 A
)
 &rst
  ixpk= 22, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1036,1037,1038,
 &end
#
#   90 TRP  HZ2          90 TRP  HE1         3.50    (#     23:15  Unique         2.78, 2.85 A
)
 &rst
  ixpk= 23, nxpk= 15, iat=1321,1318, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 TRP  HD1          90 TRP  HE1         2.80    (#     24:15  Unique         2.48, 2.52 A
)
 &rst
  ixpk= 24, nxpk= 15, iat=1316,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   88 PRO  HB+          90 TRP  HE1         4.50    (#     25:15  Unique         3.37, 4.53 A
)
 &rst
  ixpk= 25, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1286,1287,
 &end
#
#    0 AMB  15-2:26      90 TRP  HE1         3.50    (#     26:15  Single Ambig
)
 &rst
  ixpk= 26, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1283,1284,1283,1284,
 &end
#
#   65 ILE  HG1+         90 TRP  HE1         3.50    (#     27:15  Unique         1.69, 2.54 A
)
 &rst
  ixpk= 27, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 960, 961,
 &end
#
#   70 ALA  MB           90 TRP  HE1         5.50    (#     28:15  Unique         3.79, 5.48 A
)
 &rst
  ixpk= 28, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#   96 PHE  HA           96 PHE  HN          3.50    (#     30:15  Unique         2.85, 2.87 A
)
 &rst
  ixpk= 30, nxpk= 15, iat=1415,1413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HA           96 PHE  HN          2.80    (#     31:15  Unique         2.19, 2.24 A
)
 &rst
  ixpk= 31, nxpk= 15, iat=1396,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 PHE  HB+          96 PHE  HN          3.50    (#     32:15  Unique         2.85, 3.19 A
)
 &rst
  ixpk= 32, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   96 PHE  HB-          96 PHE  HN          3.50    (#     33:15  Unique         2.85, 3.19 A
)
 &rst
  ixpk= 33, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1417,1418,
 &end
#
#   95 ILE  QG2          96 PHE  HN          2.80    (#     34:15  Unique         2.80, 3.36 A
)
 &rst
  ixpk= 34, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1400,1401,1402,
 &end
#
#   62 SER  HA           63 ASP  HN          2.80    (#     37:15  Unique         2.30, 2.40 A
)
 &rst
  ixpk= 37, nxpk= 15, iat= 915, 924, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 PHE  HA           76 VAL  HN          3.50    (#     39:15  Unique         2.97, 3.32 A
)
 &rst
  ixpk= 39, nxpk= 15, iat=1415,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 VAL  HA           76 VAL  HN          2.80    (#     41:15  Unique         2.17, 2.22 A
)
 &rst
  ixpk= 41, nxpk= 15, iat=1101,1115, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   76 VAL  HB           76 VAL  HN          3.50    (#     42:15  Unique         2.76, 3.04 A
)
 &rst
  ixpk= 42, nxpk= 15, iat=1119,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HB           76 VAL  HN          3.50    (#     43:15  Unique         3.52, 3.55 A
)
 &rst
  ixpk= 43, nxpk= 15, iat=1398,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  MGX          76 VAL  HN          3.50    (#     44:15  Unique         2.45, 4.23 A
)
 &rst
  ixpk= 44, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  MGY          76 VAL  HN          3.50    (#     45:15  Unique         2.45, 4.23 A
)
 &rst
  ixpk= 45, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   75 VAL  MGX          76 VAL  HN          4.50    (#     46:15  Unique         2.42, 4.34 A
)
 &rst
  ixpk= 46, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  MGY          76 VAL  HN          3.50    (#     47:15  Unique         2.42, 4.34 A
)
 &rst
  ixpk= 47, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   55 ILE  HA           56 ASP  HN          2.80    (#     50:15  Unique         2.24, 2.55 A
)
 &rst
  ixpk= 50, nxpk= 15, iat= 816, 833, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   56 ASP  HB+          56 ASP  HN          2.80    (#     51:15  Unique         2.28, 3.04 A
)
 &rst
  ixpk= 51, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 837, 838,
 &end
#
#   56 ASP  HB-          56 ASP  HN          2.80    (#     52:15  Unique         2.28, 3.04 A
)
 &rst
  ixpk= 52, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 837, 838,
 &end
#
#    0 AMB  15-2:53      56 ASP  HN          4.50    (#     53:15  Single Ambig
)
 &rst
  ixpk= 53, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 824, 825, 855, 856, 704, 705, 706,
 &end
#
#   55 ILE  QG2          56 ASP  HN          2.80    (#     54:15  Unique         1.76, 2.70 A
)
 &rst
  ixpk= 54, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 820, 821, 822,
 &end
#
#    4 VAL  HN           31 ALA  HN          3.50    (#     55:15  Unique         3.12, 3.23 A
)
 &rst
  ixpk= 55, nxpk= 15, iat=  65, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:56      31 ALA  HN          2.80    (#     56:15  Single Ambig
)
 &rst
  ixpk= 56, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 461,  45,
 &end
#
#   31 ALA  HA           31 ALA  HN          3.50    (#     57:15  Unique         2.97, 2.98 A
)
 &rst
  ixpk= 57, nxpk= 15, iat= 480, 478, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    1 MET  HG-          31 ALA  HN          4.50    (#     58:15  Unique         2.94, 3.53 A
)
 &rst
  ixpk= 58, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  11,  12,
 &end
#
#    0 AMB  15-2:59      31 ALA  HN          4.50    (#     59:15  Single Ambig
)
 &rst
  ixpk= 59, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=  15,  16,  17,   8,   9,
 &end
#
#   30 ILE  HB           31 ALA  HN          2.80    (#     60:15  Unique         2.14, 2.24 A
)
 &rst
  ixpk= 60, nxpk= 15, iat= 463, 478, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:61      31 ALA  HN          4.50    (#     61:15  Single Ambig
)
 &rst
  ixpk= 61, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  50,  51,  25,  26,
 &end
#
#   31 ALA  MB           31 ALA  HN          2.80    (#     62:15  Unique         2.52, 3.22 A
)
 &rst
  ixpk= 62, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 482, 483, 484,
 &end
#
#   30 ILE  QG2          31 ALA  HN          4.50    (#     63:15  Unique         3.83, 4.51 A
)
 &rst
  ixpk= 63, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 465, 466, 467,
 &end
#
#    4 VAL  MGX          31 ALA  HN          4.50    (#     64:15  Unique         3.66, 6.17 A
)
 &rst
  ixpk= 64, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   79 LEU  HA           99 TRP  HN          3.50    (#     65:15  Unique         2.38, 2.75 A
)
 &rst
  ixpk= 65, nxpk= 15, iat=1163,1460, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 ASP  HA           99 TRP  HN          2.80    (#     66:15  Unique         2.12, 2.18 A
)
 &rst
  ixpk= 66, nxpk= 15, iat=1450,1460, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:67      99 TRP  HN          4.50    (#     67:15  Single Ambig
)
 &rst
  ixpk= 67, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1154,1155,1486,
 &end
#
#   99 TRP  HB+          99 TRP  HN          3.50    (#     68:15  Unique         2.40, 3.05 A
)
 &rst
  ixpk= 68, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1464,1465,
 &end
#
#   99 TRP  HB-          99 TRP  HN          3.50    (#     69:15  Unique         2.40, 3.05 A
)
 &rst
  ixpk= 69, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1464,1465,
 &end
#
#    0 AMB  15-2:70       4 VAL  HN          4.50    (#     70:15  Single Ambig
)
 &rst
  ixpk= 70, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  50,  51,  25,  26,
 &end
#
#    4 VAL  MGY           4 VAL  HN          4.50    (#     71:15  Unique         2.08, 3.87 A
)
 &rst
  ixpk= 71, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  15-2:72       4 VAL  HN          3.50    (#     72:15  Single Ambig
)
 &rst
  ixpk= 72, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 478, 504,
 &end
#
#   32 VAL  HA            4 VAL  HN          3.50    (#     73:15  Unique         2.84, 3.12 A
)
 &rst
  ixpk= 73, nxpk= 15, iat= 490,  65, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 LYS  HA            4 VAL  HN          2.80    (#     74:15  Unique         2.04, 2.10 A
)
 &rst
  ixpk= 74, nxpk= 15, iat=  45,  65, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    4 VAL  HA            4 VAL  HN          3.50    (#     75:15  Unique         2.93, 2.95 A
)
 &rst
  ixpk= 75, nxpk= 15, iat=  67,  65, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:76       4 VAL  HN          2.80    (#     76:15  Single Ambig
)
 &rst
  ixpk= 76, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  69,  47,  48,
 &end
#
#   31 ALA  MB            4 VAL  HN          4.50    (#     77:15  Unique         4.27, 5.10 A
)
 &rst
  ixpk= 77, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 482, 483, 484,
 &end
#
#    4 VAL  MGX           4 VAL  HN          2.80    (#     78:15  Unique         2.08, 3.87 A
)
 &rst
  ixpk= 78, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   76 VAL  HA           77 ILE  HN          2.80    (#     79:15  Unique         2.11, 2.16 A
)
 &rst
  ixpk= 79, nxpk= 15, iat=1117,1131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 ILE  HA           77 ILE  HN          3.50    (#     80:15  Unique         2.92, 2.94 A
)
 &rst
  ixpk= 80, nxpk= 15, iat=1133,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  HB           77 ILE  HN          2.80    (#     81:15  Unique         2.17, 2.22 A
)
 &rst
  ixpk= 81, nxpk= 15, iat=1135,1131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   76 VAL  MGX          77 ILE  HN          4.50    (#     82:15  Unique         2.45, 4.58 A
)
 &rst
  ixpk= 82, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   76 VAL  MGY          77 ILE  HN          3.50    (#     83:15  Unique         2.45, 4.58 A
)
 &rst
  ixpk= 83, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#   77 ILE  HG1-         77 ILE  HN          4.50    (#     84:15  Unique         2.47, 3.29 A
)
 &rst
  ixpk= 84, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1141,1142,
 &end
#
#    0 AMB  15-2:85      77 ILE  HN          3.50    (#     85:15  Single Ambig
)
 &rst
  ixpk= 85, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 124, 125, 126, 128, 129, 130,1144,1145,1146,
 &end
#
#    6 PHE  HA           77 ILE  HN          3.50    (#     86:15  Unique         2.77, 3.06 A
)
 &rst
  ixpk= 86, nxpk= 15, iat= 100,1131, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  HG1+         77 ILE  HN          4.50    (#     87:15  Unique         2.47, 3.29 A
)
 &rst
  ixpk= 87, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1141,1142,
 &end
#
#    0 AMB  15-2:89       5 MET  HN          4.50    (#     89:15  Single Ambig
)
 &rst
  ixpk= 89, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  69,  47,  48,
 &end
#
#    0 AMB  15-2:90       5 MET  HN          2.80    (#     90:15  Single Ambig
)
 &rst
  ixpk= 90, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  67,  83,
 &end
#
#   75 VAL  HB            5 MET  HN          5.50    (#     91:15  Unique         3.26, 5.39 A
)
 &rst
  ixpk= 91, nxpk= 15, iat=1103,  81, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    5 MET  HB+           5 MET  HN          2.80    (#     92:15  Unique         2.25, 2.92 A
)
 &rst
  ixpk= 92, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  85,  86,
 &end
#
#   76 VAL  MGX           5 MET  HN          4.50    (#     93:15  Unique         3.80, 5.13 A
)
 &rst
  ixpk= 93, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    5 MET  HB-           5 MET  HN          3.50    (#     94:15  Unique         2.25, 2.92 A
)
 &rst
  ixpk= 94, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:95       5 MET  HN          3.50    (#     95:15  Single Ambig
)
 &rst
  ixpk= 95, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=  71,  72,  73,  75,  76,  77,1105,1106,1107,1109,
      1110,1111,
 &end
#
#    4 VAL  MGY           5 MET  HN          3.50    (#     96:15  Unique         2.61, 4.07 A
)
 &rst
  ixpk= 96, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#  101 LEU  HA          101 LEU  HN          3.50    (#     97:15  Unique         2.94, 2.96 A
)
 &rst
  ixpk= 97, nxpk= 15, iat=1503,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 GLN  HA          101 LEU  HN          2.80    (#     98:15  Unique         2.14, 2.20 A
)
 &rst
  ixpk= 98, nxpk= 15, iat=1486,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 GLN  HB+         101 LEU  HN          4.50    (#     99:15  Unique         4.45, 4.53 A
)
 &rst
  ixpk= 99, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1488,1489,
 &end
#
#  101 LEU  HB+         101 LEU  HN          2.80    (#    100:15  Unique         2.51, 3.11 A
)
 &rst
  ixpk= 100, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#   99 TRP  HA          100 GLN  HN          3.50    (#    101:15  Unique         2.06, 2.19 A
)
 &rst
  ixpk= 101, nxpk= 15, iat=1462,1484, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 GLN  HA          100 GLN  HN          3.50    (#    103:15  Unique         2.79, 2.92 A
)
 &rst
  ixpk= 103, nxpk= 15, iat=1486,1484, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 GLN  HG+         100 GLN  HN          4.50    (#    104:15  Unique         4.34, 4.48 A
)
 &rst
  ixpk= 104, nxpk= 15, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1491,1492,
 &end
#
#  100 GLN  HB+         100 GLN  HN          3.50    (#    105:15  Unique         2.34, 2.60 A
)
 &rst
  ixpk= 105, nxpk= 15, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1488,1489,
 &end
#
#   33 THR  HN            6 PHE  HN          4.50    (#    106:15  Unique         3.58, 3.65 A
)
 &rst
  ixpk= 106, nxpk= 15, iat= 504,  98, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HD            6 PHE  HN          3.50    (#    107:15  Unique         2.74, 4.02 A
)
 &rst
  ixpk= 107, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 114,
 &end
#
#   34 SER  HA            6 PHE  HN          2.80    (#    108:15  Unique         2.05, 2.39 A
)
 &rst
  ixpk= 108, nxpk= 15, iat= 520,  98, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 PHE  HA            6 PHE  HN          3.50    (#    109:15  Unique         3.00, 3.02 A
)
 &rst
  ixpk= 109, nxpk= 15, iat= 100,  98, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 MET  HA            6 PHE  HN          2.80    (#    110:15  Unique         2.19, 2.24 A
)
 &rst
  ixpk= 110, nxpk= 15, iat=  83,  98, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:111      6 PHE  HN          3.50    (#    111:15  Single Ambig
)
 &rst
  ixpk= 111, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 522, 523, 508,
 &end
#
#    6 PHE  HB+           6 PHE  HN          3.50    (#    112:15  Unique         2.51, 3.24 A
)
 &rst
  ixpk= 112, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#    5 MET  HG+           6 PHE  HN          3.50    (#    113:15  Unique         2.31, 3.20 A
)
 &rst
  ixpk= 113, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  88,  89,
 &end
#
#   50 MET  HN           51 GLU  HN          2.80    (#    114:15  Unique         2.38, 2.50 A
)
 &rst
  ixpk= 114, nxpk= 15, iat= 744, 761, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HN           51 GLU  HN          2.80    (#    115:15  Unique         2.72, 2.78 A
)
 &rst
  ixpk= 115, nxpk= 15, iat= 776, 761, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   48 ALA  HA           51 GLU  HN          3.50    (#    117:15  Unique         3.32, 3.38 A
)
 &rst
  ixpk= 117, nxpk= 15, iat= 719, 761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 GLU  HA           51 GLU  HN          3.50    (#    118:15  Unique         2.76, 2.82 A
)
 &rst
  ixpk= 118, nxpk= 15, iat= 763, 761, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 GLU  HG+          51 GLU  HN          3.50    (#    119:15  Unique         2.63, 3.38 A
)
 &rst
  ixpk= 119, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 768, 769,
 &end
#
#    0 AMB  15-2:120     51 GLU  HN          2.80    (#    120:15  Single Ambig
)
 &rst
  ixpk= 120, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 765, 766, 765, 766, 768, 769,
 &end
#
#   50 MET  HB-          51 GLU  HN          3.50    (#    121:15  Unique         2.50, 3.29 A
)
 &rst
  ixpk= 121, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 748, 749,
 &end
#
#   45 THR  HN           46 ALA  HN          2.80    (#    122:15  Unique         2.75, 2.82 A
)
 &rst
  ixpk= 122, nxpk= 15, iat= 674, 688, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:123     46 ALA  HN          2.80    (#    123:15  Single Ambig
)
 &rst
  ixpk= 123, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 698,1668,1672,
 &end
#
#   46 ALA  HA           46 ALA  HN          3.50    (#    124:15  Unique         2.82, 2.86 A
)
 &rst
  ixpk= 124, nxpk= 15, iat= 690, 688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HB           46 ALA  HN          3.50    (#    125:15  Unique         3.06, 3.23 A
)
 &rst
  ixpk= 125, nxpk= 15, iat= 678, 688, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   43 HIS  HB-          46 ALA  HN          3.50    (#    126:15  Unique         3.01, 4.14 A
)
 &rst
  ixpk= 126, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 647, 648,
 &end
#
#    0 AMB  15-2:127     46 ALA  HN          3.50    (#    127:15  Single Ambig
)
 &rst
  ixpk= 127, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 647, 648, 661, 662,
 &end
#
#    0 AMB  15-2:128     46 ALA  HN          4.50    (#    128:15  Single Ambig
)
 &rst
  ixpk= 128, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 702, 664, 665,
 &end
#
#   46 ALA  MB           46 ALA  HN          2.80    (#    129:15  Unique         2.22, 2.80 A
)
 &rst
  ixpk= 129, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 692, 693, 694,
 &end
#
#   30 ILE  HA            2 LYS  HN          4.50    (#    130:15  Unique         2.37, 2.99 A
)
 &rst
  ixpk= 130, nxpk= 15, iat= 461,  21, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:131      2 LYS  HN          2.80    (#    131:15  Single Ambig
)
 &rst
  ixpk= 131, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=   6,  23,
 &end
#
#    1 MET  HG+           2 LYS  HN          3.50    (#    132:15  Unique         2.46, 2.76 A
)
 &rst
  ixpk= 132, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  11,  12,
 &end
#
#    2 LYS  HB+           2 LYS  HN          3.50    (#    133:15  Unique         2.29, 3.04 A
)
 &rst
  ixpk= 133, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  25,  26,
 &end
#
#    2 LYS  HB-           2 LYS  HN          3.50    (#    134:15  Unique         2.29, 3.04 A
)
 &rst
  ixpk= 134, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  25,  26,
 &end
#
#   30 ILE  QG2           2 LYS  HN          4.50    (#    135:15  Unique         2.46, 3.95 A
)
 &rst
  ixpk= 135, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 465, 466, 467,
 &end
#
#  103 ASP  HN          102 GLU  HN          4.50    (#    136:15  Unique         3.67, 3.85 A
)
 &rst
  ixpk= 136, nxpk= 15, iat=1535,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 LEU  HA          102 GLU  HN          2.80    (#    137:15  Unique         2.23, 2.33 A
)
 &rst
  ixpk= 137, nxpk= 15, iat=1503,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HA          102 GLU  HN          2.80    (#    138:15  Unique         2.83, 2.85 A
)
 &rst
  ixpk= 138, nxpk= 15, iat=1522,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLU  HG+         102 GLU  HN          3.50    (#    139:15  Unique         2.38, 3.11 A
)
 &rst
  ixpk= 139, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1527,1528,
 &end
#
#  102 GLU  HB+         102 GLU  HN          2.80    (#    140:15  Unique         2.28, 2.95 A
)
 &rst
  ixpk= 140, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1524,1525,
 &end
#
#  101 LEU  HB+         102 GLU  HN          2.80    (#    141:15  Unique         2.44, 3.35 A
)
 &rst
  ixpk= 141, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#    0 AMB  15-2:142    102 GLU  HN          3.50    (#    142:15  Single Ambig
)
 &rst
  ixpk= 142, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#  101 LEU  MDX         102 GLU  HN          3.50    (#    143:15  Unique         2.81, 4.81 A
)
 &rst
  ixpk= 143, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1510,1511,1512,1514,1515,1516,
 &end
#
#  114 THR  HN          115 VAL  HN          2.80    (#    144:15  Unique         2.72, 2.76 A
)
 &rst
  ixpk= 144, nxpk= 15, iat=1702,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  114 THR  HB          115 VAL  HN          2.80    (#    145:15  Unique         2.44, 2.54 A
)
 &rst
  ixpk= 145, nxpk= 15, iat=1706,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  115 VAL  HA          115 VAL  HN          2.80    (#    146:15  Unique         2.82, 2.85 A
)
 &rst
  ixpk= 146, nxpk= 15, iat=1718,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HA          115 VAL  HN          4.50    (#    147:15  Unique         3.75, 3.89 A
)
 &rst
  ixpk= 147, nxpk= 15, iat=1644,1716, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 VAL  HB          115 VAL  HN          2.80    (#    148:15  Unique         2.21, 2.34 A
)
 &rst
  ixpk= 148, nxpk= 15, iat=1720,1716, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:149      0 AMB  15-1:149    2.80    (#    149:15  Double Ambig
)
 &rst
  ixpk= 149, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 956, 957, 958,1722,1723,1724,1726,1727,1728,1722,
      1723,1724,1726,1727,1728,
 igr2= 950,1716,
 &end
#
#  111 VAL  MGX         115 VAL  HN          4.50    (#    150:15  Unique         4.26, 5.83 A
)
 &rst
  ixpk= 150, nxpk= 15, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  130 ILE  HA          131 SER  HN          3.50    (#    152:15  Unique         3.42, 3.46 A
)
 &rst
  ixpk= 152, nxpk= 15, iat=1974,1991, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  131 SER  HA          131 SER  HN          2.80    (#    153:15  Unique         2.37, 2.71 A
)
 &rst
  ixpk= 153, nxpk= 15, iat=1993,1991, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HA          131 SER  HN          4.50    (#    154:15  Unique         3.72, 3.84 A
)
 &rst
  ixpk= 154, nxpk= 15, iat=1942,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  131 SER  HB+         131 SER  HN          3.50    (#    155:15  Unique         2.48, 3.06 A
)
 &rst
  ixpk= 155, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1995,1996,
 &end
#
#  130 ILE  HB          131 SER  HN          3.50    (#    156:15  Unique         3.69, 3.73 A
)
 &rst
  ixpk= 156, nxpk= 15, iat=1976,1991, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:157    131 SER  HN          3.50    (#    157:15  Single Ambig
)
 &rst
  ixpk= 157, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1927,1928,1929,1978,1979,1980, 465, 466, 467,
 &end
#
#   85 ASN  HA           85 ASN  HN          3.50    (#    158:15  Unique         2.92, 2.95 A
)
 &rst
  ixpk= 158, nxpk= 15, iat=1234,1232, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 VAL  HA           85 ASN  HN          2.80    (#    160:15  Unique         1.93, 2.11 A
)
 &rst
  ixpk= 160, nxpk= 15, iat=1218,1232, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   85 ASN  HB-          85 ASN  HN          3.50    (#    161:15  Unique         2.31, 2.88 A
)
 &rst
  ixpk= 161, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1236,1237,
 &end
#
#   85 ASN  HB+          85 ASN  HN          3.50    (#    162:15  Unique         2.31, 2.88 A
)
 &rst
  ixpk= 162, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1236,1237,
 &end
#
#  130 ILE  HG1-        131 SER  HN          3.50    (#    164:15  Unique         2.44, 2.62 A
)
 &rst
  ixpk= 164, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#  130 ILE  HG1+        131 SER  HN          3.50    (#    165:15  Unique         2.44, 2.62 A
)
 &rst
  ixpk= 165, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1982,1983,
 &end
#
#   78 SER  HN           97 GLU  HN          4.50    (#    166:15  Unique         2.86, 3.07 A
)
 &rst
  ixpk= 166, nxpk= 15, iat=1150,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:167     97 GLU  HN          3.50    (#    167:15  Single Ambig
)
 &rst
  ixpk= 167, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1448,1413,
 &end
#
#   96 PHE  HD           97 GLU  HN          4.50    (#    168:15  Unique         3.29, 3.60 A
)
 &rst
  ixpk= 168, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   96 PHE  HA           97 GLU  HN          2.80    (#    169:15  Unique         2.16, 2.22 A
)
 &rst
  ixpk= 169, nxpk= 15, iat=1415,1433, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 ILE  HA           97 GLU  HN          3.50    (#    170:15  Unique         2.54, 2.68 A
)
 &rst
  ixpk= 170, nxpk= 15, iat=1133,1433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HA           97 GLU  HN          3.50    (#    171:15  Unique         2.84, 2.86 A
)
 &rst
  ixpk= 171, nxpk= 15, iat=1435,1433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:172     97 GLU  HN          3.50    (#    172:15  Single Ambig
)
 &rst
  ixpk= 172, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1437,1438,1440,1441,
 &end
#
#   97 GLU  HB-          97 GLU  HN          3.50    (#    173:15  Unique         2.85, 3.35 A
)
 &rst
  ixpk= 173, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1437,1438,
 &end
#
#    0 AMB  15-2:174     97 GLU  HN          4.50    (#    174:15  Single Ambig
)
 &rst
  ixpk= 174, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1400,1401,1402,1105,1106,1107,1109,1110,1111,
 &end
#
#   77 ILE  QD1          97 GLU  HN          3.50    (#    175:15  Unique         2.73, 3.72 A
)
 &rst
  ixpk= 175, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1144,1145,1146,
 &end
#
#   64 PRO  HA           65 ILE  HN          2.80    (#    176:15  Unique         2.23, 2.32 A
)
 &rst
  ixpk= 176, nxpk= 15, iat= 946, 950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HA           65 ILE  HN          3.50    (#    177:15  Unique         2.79, 2.84 A
)
 &rst
  ixpk= 177, nxpk= 15, iat= 952, 950, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:178     65 ILE  HN          3.50    (#    178:15  Single Ambig
)
 &rst
  ixpk= 178, nxpk= 15, iat=  -1, 950, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 943, 944, 533, 534, 976, 977,
 &end
#
#   65 ILE  HB           65 ILE  HN          2.80    (#    179:15  Unique         2.26, 2.31 A
)
 &rst
  ixpk= 179, nxpk= 15, iat= 954, 950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   49 MET  HN           48 ALA  HN          3.50    (#    180:15  Unique         2.52, 2.67 A
)
 &rst
  ixpk= 180, nxpk= 15, iat= 727, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HA           48 ALA  HN          2.80    (#    181:15  Unique         2.75, 2.79 A
)
 &rst
  ixpk= 181, nxpk= 15, iat= 719, 717, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 THR  HA           48 ALA  HN          3.50    (#    182:15  Unique         2.97, 3.08 A
)
 &rst
  ixpk= 182, nxpk= 15, iat= 676, 717, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:183     48 ALA  HN          4.50    (#    183:15  Single Ambig
)
 &rst
  ixpk= 183, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 700, 678,
 &end
#
#   47 ILE  HB           48 ALA  HN          2.80    (#    184:15  Unique         2.29, 2.57 A
)
 &rst
  ixpk= 184, nxpk= 15, iat= 702, 717, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 ALA  MB           48 ALA  HN          4.50    (#    185:15  Unique         4.83, 5.45 A
)
 &rst
  ixpk= 185, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 692, 693, 694,
 &end
#
#   48 ALA  MB           48 ALA  HN          2.80    (#    186:15  Unique         2.45, 2.87 A
)
 &rst
  ixpk= 186, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#   47 ILE  QG2          48 ALA  HN          3.50    (#    187:15  Unique         3.62, 4.39 A
)
 &rst
  ixpk= 187, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 704, 705, 706,
 &end
#
#    0 AMB  15-2:188     27 ALA  HN          4.50    (#    188:15  Single Ambig
)
 &rst
  ixpk= 188, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 394, 358,
 &end
#
#   26 GLY  HN           27 ALA  HN          2.80    (#    189:15  Unique         2.36, 2.43 A
)
 &rst
  ixpk= 189, nxpk= 15, iat= 413, 420, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 ALA  HA           27 ALA  HN          2.80    (#    191:15  Unique         2.79, 2.81 A
)
 &rst
  ixpk= 191, nxpk= 15, iat= 422, 420, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 GLY  HA-          27 ALA  HN          3.50    (#    192:15  Unique         3.12, 3.40 A
)
 &rst
  ixpk= 192, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 415, 416,
 &end
#
#   27 ALA  MB           27 ALA  HN          2.80    (#    193:15  Unique         2.57, 2.95 A
)
 &rst
  ixpk= 193, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 424, 425, 426,
 &end
#
#   74 ASP  HN            3 LYS  HN          3.50    (#    194:15  Unique         2.31, 2.68 A
)
 &rst
  ixpk= 194, nxpk= 15, iat=1087,  43, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    3 LYS  HA            3 LYS  HN          3.50    (#    195:15  Unique         2.84, 2.94 A
)
 &rst
  ixpk= 195, nxpk= 15, iat=  45,  43, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    2 LYS  HA            3 LYS  HN          2.80    (#    196:15  Unique         2.21, 2.29 A
)
 &rst
  ixpk= 196, nxpk= 15, iat=  23,  43, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 ASP  HB+           3 LYS  HN          3.50    (#    197:15  Unique         2.12, 2.65 A
)
 &rst
  ixpk= 197, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1091,1092,
 &end
#
#   74 ASP  HB-           3 LYS  HN          3.50    (#    198:15  Unique         2.12, 2.65 A
)
 &rst
  ixpk= 198, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1091,1092,
 &end
#
#    3 LYS  HB-           3 LYS  HN          2.80    (#    199:15  Unique         2.15, 2.98 A
)
 &rst
  ixpk= 199, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  47,  48,
 &end
#
#    0 AMB  15-2:200      3 LYS  HN          2.80    (#    200:15  Single Ambig
)
 &rst
  ixpk= 200, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  25,  26,  50,  51,  31,  32,
 &end
#
#    3 LYS  HG+           3 LYS  HN          3.50    (#    201:15  Unique         2.99, 3.92 A
)
 &rst
  ixpk= 201, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  50,  51,
 &end
#
#   64 PRO  HB-          65 ILE  HN          3.50    (#    202:15  Unique         2.59, 3.35 A
)
 &rst
  ixpk= 202, nxpk= 15, iat=  -1, 950, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 943, 944,
 &end
#
#   41 ARG  HA           42 VAL  HN          2.80    (#    203:15  Unique         2.22, 2.30 A
)
 &rst
  ixpk= 203, nxpk= 15, iat= 605, 627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 VAL  HA           42 VAL  HN          3.50    (#    204:15  Unique         2.82, 2.86 A
)
 &rst
  ixpk= 204, nxpk= 15, iat= 629, 627, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 VAL  HB           42 VAL  HN          2.80    (#    205:15  Unique         2.76, 2.80 A
)
 &rst
  ixpk= 205, nxpk= 15, iat= 631, 627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   41 ARG  HB-          42 VAL  HN          3.50    (#    206:15  Unique         2.48, 3.40 A
)
 &rst
  ixpk= 206, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 607, 608,
 &end
#
#   42 VAL  MGY          42 VAL  HN          3.50    (#    207:15  Unique         1.93, 3.75 A
)
 &rst
  ixpk= 207, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   36 GLY  HA+           8 CYS  HN          3.50    (#    208:15  Unique         2.01, 2.74 A
)
 &rst
  ixpk= 208, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#    7 VAL  HA            8 CYS  HN          2.80    (#    209:15  Unique         2.19, 2.26 A
)
 &rst
  ixpk= 209, nxpk= 15, iat= 120, 134, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  MGY           8 CYS  HN          4.50    (#    210:15  Unique         2.73, 4.52 A
)
 &rst
  ixpk= 210, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    1 MET  HB+           1 MET  HN          3.50    (#    212:15  Unique         2.38, 3.10 A
)
 &rst
  ixpk= 212, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=   8,   9,
 &end
#
#   40 SER  HA           41 ARG  HN          3.50    (#    214:15  Unique         2.25, 2.49 A
)
 &rst
  ixpk= 214, nxpk= 15, iat= 594, 603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 SER  HB+          41 ARG  HN          2.80    (#    215:15  Unique         2.48, 3.29 A
)
 &rst
  ixpk= 215, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 596, 597,
 &end
#
#   41 ARG  HG+          41 ARG  HN          3.50    (#    216:15  Unique         2.25, 3.02 A
)
 &rst
  ixpk= 216, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 610, 611,
 &end
#
#   32 VAL  HA           32 VAL  HN          3.50    (#    217:15  Unique         2.95, 2.95 A
)
 &rst
  ixpk= 217, nxpk= 15, iat= 490, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 ALA  HA           32 VAL  HN          2.80    (#    218:15  Unique         2.14, 2.23 A
)
 &rst
  ixpk= 218, nxpk= 15, iat= 480, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 VAL  HB           32 VAL  HN          2.80    (#    220:15  Unique         2.83, 2.88 A
)
 &rst
  ixpk= 220, nxpk= 15, iat= 492, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:221     32 VAL  HN          5.50    (#    221:15  Single Ambig
)
 &rst
  ixpk= 221, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=  69,  47,  48,  47,  48,
 &end
#
#   31 ALA  MB           32 VAL  HN          3.50    (#    222:15  Unique         3.01, 3.89 A
)
 &rst
  ixpk= 222, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 482, 483, 484,
 &end
#
#   32 VAL  MGY          32 VAL  HN          4.50    (#    223:15  Unique         1.96, 3.57 A
)
 &rst
  ixpk= 223, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGX          32 VAL  HN          2.80    (#    224:15  Unique         1.96, 3.57 A
)
 &rst
  ixpk= 224, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   85 ASN  HA           86 LEU  HN          2.80    (#    225:15  Unique         2.12, 2.20 A
)
 &rst
  ixpk= 225, nxpk= 15, iat=1234,1246, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   86 LEU  HG           86 LEU  HN          3.50    (#    226:15  Unique         1.90, 2.15 A
)
 &rst
  ixpk= 226, nxpk= 15, iat=1253,1246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 LEU  HB+          86 LEU  HN          3.50    (#    227:15  Unique         2.18, 3.06 A
)
 &rst
  ixpk= 227, nxpk= 15, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1250,1251,
 &end
#
#    0 AMB  15-2:228    118 GLN  HN          2.80    (#    228:15  Single Ambig
)
 &rst
  ixpk= 228, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1758,1759,1718,
 &end
#
#  119 VAL  HN          118 GLN  HN          2.80    (#    229:15  Unique         2.79, 2.81 A
)
 &rst
  ixpk= 229, nxpk= 15, iat=1780,1763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 GLN  HA          118 GLN  HN          2.80    (#    230:15  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 230, nxpk= 15, iat=1765,1763, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 GLN  HB+         118 GLN  HN          2.80    (#    231:15  Unique         2.19, 3.01 A
)
 &rst
  ixpk= 231, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1767,1768,
 &end
#
#  118 GLN  HB-         118 GLN  HN          2.80    (#    232:15  Unique         2.19, 3.01 A
)
 &rst
  ixpk= 232, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1767,1768,
 &end
#
#  119 VAL  MGY         118 GLN  HN          4.50    (#    233:15  Unique         4.75, 6.48 A
)
 &rst
  ixpk= 233, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  15-2:234    118 GLN  HN          4.50    (#    234:15  Single Ambig
)
 &rst
  ixpk= 234, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
 igr1=1508,1722,1723,1724,1726,1727,1728,1722,1723,1724,
      1726,1727,1728,
 &end
#
#   23 LYS  HN           22 ALA  HN          3.50    (#    235:15  Unique         2.86, 2.97 A
)
 &rst
  ixpk= 235, nxpk= 15, iat= 358, 348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HN           22 ALA  HN          3.50    (#    236:15  Unique         2.68, 2.76 A
)
 &rst
  ixpk= 236, nxpk= 15, iat= 328, 348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HA           22 ALA  HN          4.50    (#    237:15  Unique         3.62, 3.63 A
)
 &rst
  ixpk= 237, nxpk= 15, iat= 330, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  HA           22 ALA  HN          3.50    (#    238:15  Unique         2.75, 2.78 A
)
 &rst
  ixpk= 238, nxpk= 15, iat= 350, 348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLU  HA           22 ALA  HN          4.50    (#    239:15  Unique         3.16, 3.33 A
)
 &rst
  ixpk= 239, nxpk= 15, iat= 308, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HB+          22 ALA  HN          3.50    (#    240:15  Unique         2.44, 3.05 A
)
 &rst
  ixpk= 240, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB-          22 ALA  HN          3.50    (#    241:15  Unique         2.44, 3.05 A
)
 &rst
  ixpk= 241, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   22 ALA  MB           22 ALA  HN          2.80    (#    242:15  Unique         2.40, 2.88 A
)
 &rst
  ixpk= 242, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 352, 353, 354,
 &end
#
#  123 VAL  MGY          22 ALA  HN          3.50    (#    243:15  Unique         2.63, 3.95 A
)
 &rst
  ixpk= 243, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  15-2:244     22 ALA  HN          3.50    (#    244:15  Single Ambig
)
 &rst
  ixpk= 244, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 &end
#
#    0 AMB  15-2:245     22 ALA  HN          4.50    (#    245:15  Single Ambig
)
 &rst
  ixpk= 245, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1934,1935,1936, 755, 756, 757, 472, 473, 474,
 &end
#
#   33 THR  HA           33 THR  HN          3.50    (#    246:15  Unique         2.88, 2.90 A
)
 &rst
  ixpk= 246, nxpk= 15, iat= 506, 504, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  HA           33 THR  HN          2.80    (#    247:15  Unique         2.15, 2.21 A
)
 &rst
  ixpk= 247, nxpk= 15, iat= 490, 504, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    5 MET  HA           33 THR  HN          3.50    (#    248:15  Unique         2.32, 2.51 A
)
 &rst
  ixpk= 248, nxpk= 15, iat=  83, 504, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 THR  HB           33 THR  HN          3.50    (#    249:15  Unique         2.75, 2.85 A
)
 &rst
  ixpk= 249, nxpk= 15, iat= 508, 504, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 VAL  HB           33 THR  HN          4.50    (#    250:15  Unique         3.94, 3.99 A
)
 &rst
  ixpk= 250, nxpk= 15, iat= 492, 504, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:251     33 THR  HN          5.50    (#    251:15  Single Ambig
)
 &rst
  ixpk= 251, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  69,  47,  48,
 &end
#
#   32 VAL  MGY          33 THR  HN          2.80    (#    252:15  Unique         2.21, 4.07 A
)
 &rst
  ixpk= 252, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGX          33 THR  HN          4.50    (#    253:15  Unique         2.21, 4.07 A
)
 &rst
  ixpk= 253, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#  127 ILE  HN          126 LEU  HN          2.80    (#    254:15  Unique         2.63, 2.75 A
)
 &rst
  ixpk= 254, nxpk= 15, iat=1921,1902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HN          126 LEU  HN          3.50    (#    255:15  Unique         2.65, 2.72 A
)
 &rst
  ixpk= 255, nxpk= 15, iat=1888,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 TRP  HZ2         126 LEU  HN          4.50    (#    256:15  Unique         3.76, 3.97 A
)
 &rst
  ixpk= 256, nxpk= 15, iat=1473,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  126 LEU  HA          126 LEU  HN          2.80    (#    257:15  Unique         2.83, 2.85 A
)
 &rst
  ixpk= 257, nxpk= 15, iat=1904,1902, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 VAL  HA          126 LEU  HN          3.50    (#    258:15  Unique         3.46, 3.50 A
)
 &rst
  ixpk= 258, nxpk= 15, iat=1859,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HB+         126 LEU  HN          2.80    (#    259:15  Unique         2.50, 3.12 A
)
 &rst
  ixpk= 259, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#  126 LEU  HB+         126 LEU  HN          2.80    (#    260:15  Unique         2.08, 2.90 A
)
 &rst
  ixpk= 260, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#  126 LEU  HB-         126 LEU  HN          2.80    (#    261:15  Unique         2.08, 2.90 A
)
 &rst
  ixpk= 261, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1906,1907,
 &end
#
#  126 LEU  HG          126 LEU  HN          3.50    (#    262:15  Unique         3.04, 3.15 A
)
 &rst
  ixpk= 262, nxpk= 15, iat=1909,1902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:263    126 LEU  HN          3.50    (#    263:15  Single Ambig
)
 &rst
  ixpk= 263, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#  110 GLU  HN          111 VAL  HN          2.80    (#    264:15  Unique         2.64, 2.76 A
)
 &rst
  ixpk= 264, nxpk= 15, iat=1627,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 PHE  HN          111 VAL  HN          2.80    (#    265:15  Unique         2.48, 2.53 A
)
 &rst
  ixpk= 265, nxpk= 15, iat=1658,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  108 SER  HB-         111 VAL  HN          3.50    (#    267:15  Unique         2.56, 3.19 A
)
 &rst
  ixpk= 267, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1601,1602,
 &end
#
#    0 AMB  15-2:268    111 VAL  HN          3.50    (#    268:15  Single Ambig
)
 &rst
  ixpk= 268, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1601,1602,1629,
 &end
#
#  111 VAL  HA          111 VAL  HN          3.50    (#    269:15  Unique         2.89, 2.90 A
)
 &rst
  ixpk= 269, nxpk= 15, iat=1644,1642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 VAL  HB          111 VAL  HN          2.80    (#    270:15  Unique         2.35, 2.39 A
)
 &rst
  ixpk= 270, nxpk= 15, iat=1646,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 GLU  HB-         111 VAL  HN          2.80    (#    271:15  Unique         2.68, 3.25 A
)
 &rst
  ixpk= 271, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1631,1632,
 &end
#
#  111 VAL  MGY         111 VAL  HN          2.80    (#    272:15  Unique         2.27, 3.87 A
)
 &rst
  ixpk= 272, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         111 VAL  HN          4.50    (#    273:15  Unique         2.27, 3.87 A
)
 &rst
  ixpk= 273, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    6 PHE  HA            7 VAL  HN          2.80    (#    274:15  Unique         2.30, 2.34 A
)
 &rst
  ixpk= 274, nxpk= 15, iat= 100, 118, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 PHE  HB-           7 VAL  HN          4.50    (#    275:15  Unique         2.98, 3.90 A
)
 &rst
  ixpk= 275, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 102, 103,
 &end
#
#    0 AMB  15-2:276      7 VAL  HN          2.80    (#    276:15  Single Ambig
)
 &rst
  ixpk= 276, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 122,  88,  89,
 &end
#
#   79 LEU  MDX           7 VAL  HN          3.50    (#    277:15  Unique         1.99, 4.47 A
)
 &rst
  ixpk= 277, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#    7 VAL  MGY           7 VAL  HN          3.50    (#    278:15  Unique         2.11, 4.04 A
)
 &rst
  ixpk= 278, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGX           7 VAL  HN          4.50    (#    279:15  Unique         2.11, 4.04 A
)
 &rst
  ixpk= 279, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   10 ARG  HN           11 ASN  HN          3.50    (#    280:15  Unique         1.89, 2.38 A
)
 &rst
  ixpk= 280, nxpk= 15, iat= 167, 191, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:282     11 ASN  HN          3.50    (#    282:15  Single Ambig
)
 &rst
  ixpk= 282, nxpk= 15, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 193, 583,
 &end
#
#  122 ARG  HN          123 VAL  HN          2.80    (#    283:15  Unique         2.77, 2.81 A
)
 &rst
  ixpk= 283, nxpk= 15, iat=1833,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 PHE  HE          123 VAL  HN          4.50    (#    284:15  Unique         4.57, 6.12 A
)
 &rst
  ixpk= 284, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 108, 112,
 &end
#
#  123 VAL  HA          123 VAL  HN          2.80    (#    285:15  Unique         2.75, 2.80 A
)
 &rst
  ixpk= 285, nxpk= 15, iat=1859,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  122 ARG  HA          123 VAL  HN          4.50    (#    286:15  Unique         3.59, 3.64 A
)
 &rst
  ixpk= 286, nxpk= 15, iat=1835,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LYS  HA          123 VAL  HN          3.50    (#    287:15  Unique         3.26, 3.37 A
)
 &rst
  ixpk= 287, nxpk= 15, iat=1798,1857, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 VAL  HB          123 VAL  HN          2.80    (#    288:15  Unique         2.37, 2.43 A
)
 &rst
  ixpk= 288, nxpk= 15, iat=1861,1857, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 VAL  MGY         123 VAL  HN          2.80    (#    289:15  Unique         2.13, 3.79 A
)
 &rst
  ixpk= 289, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  123 VAL  MGX         123 VAL  HN          3.50    (#    290:15  Unique         2.13, 3.79 A
)
 &rst
  ixpk= 290, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  122 ARG  HB+         123 VAL  HN          3.50    (#    291:15  Unique         2.51, 3.31 A
)
 &rst
  ixpk= 291, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#  122 ARG  HB-         123 VAL  HN          3.50    (#    292:15  Unique         2.51, 3.31 A
)
 &rst
  ixpk= 292, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#   95 ILE  HN           94 GLU  HN          3.50    (#    293:15  Unique         2.70, 2.77 A
)
 &rst
  ixpk= 293, nxpk= 15, iat=1394,1379, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 ASP  HA           94 GLU  HN          4.50    (#    294:15  Unique         3.55, 3.79 A
)
 &rst
  ixpk= 294, nxpk= 15, iat=1089,1379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 GLN  HA           94 GLU  HN          2.80    (#    295:15  Unique         2.62, 2.76 A
)
 &rst
  ixpk= 295, nxpk= 15, iat=1364,1379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 GLU  HA           94 GLU  HN          2.80    (#    296:15  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 296, nxpk= 15, iat=1381,1379, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 GLN  HB+          94 GLU  HN          2.80    (#    297:15  Unique         1.99, 2.62 A
)
 &rst
  ixpk= 297, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   94 GLU  HB+          94 GLU  HN          2.80    (#    298:15  Unique         2.26, 2.67 A
)
 &rst
  ixpk= 298, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1383,1384,
 &end
#
#    0 AMB  15-2:299     94 GLU  HN          2.80    (#    299:15  Single Ambig
)
 &rst
  ixpk= 299, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1386,1387,1383,1384,
 &end
#
#   93 GLN  HG-          94 GLU  HN          4.50    (#    300:15  Unique         3.62, 4.59 A
)
 &rst
  ixpk= 300, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1369,1370,
 &end
#
#   93 GLN  HB-          94 GLU  HN          2.80    (#    301:15  Unique         1.99, 2.62 A
)
 &rst
  ixpk= 301, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1366,1367,
 &end
#
#   46 ALA  HN           45 THR  HN          3.50    (#    302:15  Unique         2.75, 2.82 A
)
 &rst
  ixpk= 302, nxpk= 15, iat= 688, 674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HA           45 THR  HN          3.50    (#    304:15  Unique         2.79, 2.80 A
)
 &rst
  ixpk= 304, nxpk= 15, iat= 676, 674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 THR  HB           45 THR  HN          3.50    (#    305:15  Unique         2.46, 2.53 A
)
 &rst
  ixpk= 305, nxpk= 15, iat= 678, 674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 PRO  HD+          45 THR  HN          3.50    (#    306:15  Unique         2.41, 3.23 A
)
 &rst
  ixpk= 306, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 661, 662,
 &end
#
#   44 PRO  HG+          45 THR  HN          3.50    (#    307:15  Unique         2.23, 3.09 A
)
 &rst
  ixpk= 307, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 664, 665,
 &end
#
#   53 VAL  HN           55 ILE  HN          3.50    (#    308:15  Unique         3.50, 3.52 A
)
 &rst
  ixpk= 308, nxpk= 15, iat= 791, 814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:310     55 ILE  HN          2.80    (#    310:15  Single Ambig
)
 &rst
  ixpk= 310, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 816, 809, 810,
 &end
#
#   51 GLU  HA           55 ILE  HN          2.80    (#    311:15  Unique         2.62, 2.77 A
)
 &rst
  ixpk= 311, nxpk= 15, iat= 763, 814, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:312     55 ILE  HN          4.50    (#    312:15  Single Ambig
)
 &rst
  ixpk= 312, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 768, 769, 765, 766, 751, 752,
 &end
#
#   55 ILE  HG1-         55 ILE  HN          3.50    (#    313:15  Unique         2.68, 3.44 A
)
 &rst
  ixpk= 313, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 824, 825,
 &end
#
#    0 AMB  15-2:314     55 ILE  HN          4.50    (#    314:15  Single Ambig
)
 &rst
  ixpk= 314, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 818, 797, 798, 799, 801, 802, 803,
 &end
#
#   55 ILE  HG1+         55 ILE  HN          3.50    (#    315:15  Unique         2.68, 3.44 A
)
 &rst
  ixpk= 315, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 824, 825,
 &end
#
#   55 ILE  QD1          55 ILE  HN          3.50    (#    316:15  Unique         3.76, 4.49 A
)
 &rst
  ixpk= 316, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#   55 ILE  QG2          55 ILE  HN          4.50    (#    317:15  Unique         4.37, 4.68 A
)
 &rst
  ixpk= 317, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 820, 821, 822,
 &end
#
#    0 AMB  15-2:318     45 THR  HN          4.50    (#    318:15  Single Ambig
)
 &rst
  ixpk= 318, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 698,1668,1672,
 &end
#
#  116 ARG  HA          116 ARG  HN          2.80    (#    319:15  Unique         2.80, 2.81 A
)
 &rst
  ixpk= 319, nxpk= 15, iat=1734,1732, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 ARG  HB+         116 ARG  HN          2.80    (#    320:15  Unique         2.33, 2.49 A
)
 &rst
  ixpk= 320, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#  116 ARG  HB-         116 ARG  HN          2.80    (#    321:15  Unique         2.33, 2.49 A
)
 &rst
  ixpk= 321, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#    0 AMB  15-2:322    116 ARG  HN          3.50    (#    322:15  Single Ambig
)
 &rst
  ixpk= 322, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#   26 GLY  HN           25 LEU  HN          2.80    (#    323:15  Unique         2.58, 2.61 A
)
 &rst
  ixpk= 323, nxpk= 15, iat= 413, 394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 THR  HN           25 LEU  HN          2.80    (#    324:15  Unique         2.64, 2.67 A
)
 &rst
  ixpk= 324, nxpk= 15, iat= 380, 394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:325     25 LEU  HN          2.80    (#    325:15  Single Ambig
)
 &rst
  ixpk= 325, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 384, 382,
 &end
#
#   25 LEU  HG           25 LEU  HN          2.80    (#    326:15  Unique         2.24, 2.26 A
)
 &rst
  ixpk= 326, nxpk= 15, iat= 401, 394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 LEU  HB+          25 LEU  HN          2.80    (#    327:15  Unique         2.31, 2.94 A
)
 &rst
  ixpk= 327, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 398, 399,
 &end
#
#    0 AMB  15-2:328     25 LEU  HN          3.50    (#    328:15  Single Ambig
)
 &rst
  ixpk= 328, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  15-2:329     25 LEU  HN          4.50    (#    329:15  Single Ambig
)
 &rst
  ixpk= 329, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1863,1864,1865,1867,1868,1869, 494, 495, 496, 498,
       499, 500,
 &end
#
#    0 AMB  15-2:330    114 THR  HN          2.80    (#    330:15  Single Ambig
)
 &rst
  ixpk= 330, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1716,1678,
 &end
#
#  114 THR  HB          114 THR  HN          2.80    (#    332:15  Unique         2.32, 2.39 A
)
 &rst
  ixpk= 332, nxpk= 15, iat=1706,1702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 GLU  HA          114 THR  HN          4.50    (#    333:15  Unique         3.90, 3.99 A
)
 &rst
  ixpk= 333, nxpk= 15, iat=1629,1702, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 THR  HA          114 THR  HN          2.80    (#    334:15  Unique         2.81, 2.82 A
)
 &rst
  ixpk= 334, nxpk= 15, iat=1704,1702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HA          114 THR  HN          3.50    (#    335:15  Unique         3.37, 3.49 A
)
 &rst
  ixpk= 335, nxpk= 15, iat=1644,1702, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 ARG  HB-         114 THR  HN          2.80    (#    336:15  Unique         2.77, 3.25 A
)
 &rst
  ixpk= 336, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1682,1683,
 &end
#
#  114 THR  MG2         114 THR  HN          3.50    (#    337:15  Unique         4.31, 4.41 A
)
 &rst
  ixpk= 337, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1708,1709,1710,
 &end
#
#  115 VAL  MGY         114 THR  HN          4.50    (#    338:15  Unique         4.49, 6.36 A
)
 &rst
  ixpk= 338, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1722,1723,1724,1726,1727,1728,
 &end
#
#  127 ILE  HN          128 ALA  HN          2.80    (#    339:15  Unique         2.83, 2.85 A
)
 &rst
  ixpk= 339, nxpk= 15, iat=1921,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HA          128 ALA  HN          3.50    (#    340:15  Unique         3.29, 3.46 A
)
 &rst
  ixpk= 340, nxpk= 15, iat=1890,1940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  128 ALA  HA          128 ALA  HN          2.80    (#    341:15  Unique         2.84, 2.84 A
)
 &rst
  ixpk= 341, nxpk= 15, iat=1942,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HA          128 ALA  HN          4.50    (#    342:15  Unique         4.05, 4.11 A
)
 &rst
  ixpk= 342, nxpk= 15, iat=1875,1940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  127 ILE  HA          128 ALA  HN          4.50    (#    343:15  Unique         3.58, 3.60 A
)
 &rst
  ixpk= 343, nxpk= 15, iat=1923,1940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  129 LYS  HB+         128 ALA  HN          4.50    (#    344:15  Unique         4.77, 5.52 A
)
 &rst
  ixpk= 344, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1954,1955,
 &end
#
#  127 ILE  HB          128 ALA  HN          2.80    (#    345:15  Unique         2.85, 2.86 A
)
 &rst
  ixpk= 345, nxpk= 15, iat=1925,1940, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:346    128 ALA  HN          4.50    (#    346:15  Single Ambig
)
 &rst
  ixpk= 346, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1931,1932,1960,1961,
 &end
#
#  128 ALA  MB          128 ALA  HN          2.80    (#    347:15  Unique         2.47, 2.93 A
)
 &rst
  ixpk= 347, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1944,1945,1946,
 &end
#
#  127 ILE  QG2         128 ALA  HN          3.50    (#    348:15  Unique         3.61, 4.39 A
)
 &rst
  ixpk= 348, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1927,1928,1929,
 &end
#
#    0 AMB  15-2:349      0 AMB  15-1:349    2.80    (#    349:15  Double Ambig
)
 &rst
  ixpk= 349, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,1722,1723,1724,1726,1727,1728,1722,1723,
      1724,1726,1727,1728,
 igr2=1873,1732,
 &end
#
#  102 GLU  HN          103 ASP  HN          4.50    (#    350:15  Unique         3.67, 3.85 A
)
 &rst
  ixpk= 350, nxpk= 15, iat=1520,1535, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  103 ASP  HA          103 ASP  HN          3.50    (#    352:15  Unique         2.41, 2.53 A
)
 &rst
  ixpk= 352, nxpk= 15, iat=1537,1535, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLU  HA          103 ASP  HN          2.80    (#    353:15  Unique         2.13, 2.21 A
)
 &rst
  ixpk= 353, nxpk= 15, iat=1522,1535, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 ASP  HB+         103 ASP  HN          2.80    (#    355:15  Unique         2.24, 2.61 A
)
 &rst
  ixpk= 355, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1539,1540,
 &end
#
#  103 ASP  HB-         103 ASP  HN          2.80    (#    356:15  Unique         2.24, 2.61 A
)
 &rst
  ixpk= 356, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1539,1540,
 &end
#
#   59 GLY  HN           60 GLN  HN          2.80    (#    358:15  Unique         2.74, 2.81 A
)
 &rst
  ixpk= 358, nxpk= 15, iat= 875, 882, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 THR  HN           60 GLN  HN          4.50    (#    359:15  Unique         2.39, 3.52 A
)
 &rst
  ixpk= 359, nxpk= 15, iat= 899, 882, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HA           60 GLN  HN          2.80    (#    361:15  Unique         2.90, 2.92 A
)
 &rst
  ixpk= 361, nxpk= 15, iat= 884, 882, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 SER  HA           60 GLN  HN          4.50    (#    362:15  Unique         3.67, 4.04 A
)
 &rst
  ixpk= 362, nxpk= 15, iat= 866, 882, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLY  HA-          60 GLN  HN          3.50    (#    363:15  Unique         3.00, 3.35 A
)
 &rst
  ixpk= 363, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 877, 878,
 &end
#
#    0 AMB  15-2:364     60 GLN  HN          2.80    (#    364:15  Single Ambig
)
 &rst
  ixpk= 364, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 889, 890, 886, 887,
 &end
#
#   60 GLN  HG-          60 GLN  HN          2.80    (#    365:15  Unique         2.09, 2.73 A
)
 &rst
  ixpk= 365, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 889, 890,
 &end
#
#   60 GLN  HB-          60 GLN  HN          2.80    (#    366:15  Unique         2.49, 3.33 A
)
 &rst
  ixpk= 366, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 886, 887,
 &end
#
#   42 VAL  MGY          60 GLN  HN          5.50    (#    367:15  Unique         3.86, 6.00 A
)
 &rst
  ixpk= 367, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#  125 ASN  HN          124 GLU  HN          2.80    (#    368:15  Unique         2.69, 2.73 A
)
 &rst
  ixpk= 368, nxpk= 15, iat=1888,1873, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 GLU  HA          124 GLU  HN          4.50    (#    369:15  Unique         3.33, 3.51 A
)
 &rst
  ixpk= 369, nxpk= 15, iat=1820,1873, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 GLU  HA          124 GLU  HN          2.80    (#    370:15  Unique         2.81, 2.82 A
)
 &rst
  ixpk= 370, nxpk= 15, iat=1875,1873, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HG-         124 GLU  HN          2.80    (#    371:15  Unique         2.23, 2.92 A
)
 &rst
  ixpk= 371, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1880,1881,
 &end
#
#    0 AMB  15-2:372    124 GLU  HN          2.80    (#    372:15  Single Ambig
)
 &rst
  ixpk= 372, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1861,1877,1878,
 &end
#
#  123 VAL  MGY         124 GLU  HN          4.50    (#    373:15  Unique         3.25, 4.42 A
)
 &rst
  ixpk= 373, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#   96 PHE  HE           98 ASP  HN          3.50    (#    374:15  Unique         3.58, 4.99 A
)
 &rst
  ixpk= 374, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1427,
 &end
#
#   99 TRP  HD1          98 ASP  HN          5.50    (#    375:15  Unique         3.54, 3.93 A
)
 &rst
  ixpk= 375, nxpk= 15, iat=1468,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 ASP  HA           98 ASP  HN          3.50    (#    376:15  Unique         2.95, 2.95 A
)
 &rst
  ixpk= 376, nxpk= 15, iat=1450,1448, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HA           98 ASP  HN          2.80    (#    377:15  Unique         2.25, 2.33 A
)
 &rst
  ixpk= 377, nxpk= 15, iat=1435,1448, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 ASP  HB+          98 ASP  HN          2.80    (#    378:15  Unique         2.51, 2.99 A
)
 &rst
  ixpk= 378, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1452,1453,
 &end
#
#   98 ASP  HB-          98 ASP  HN          2.80    (#    379:15  Unique         2.51, 2.99 A
)
 &rst
  ixpk= 379, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1452,1453,
 &end
#
#   97 GLU  HG-          98 ASP  HN          3.50    (#    380:15  Unique         3.52, 4.26 A
)
 &rst
  ixpk= 380, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1440,1441,
 &end
#
#   97 GLU  HB+          98 ASP  HN          4.50    (#    381:15  Unique         2.41, 3.28 A
)
 &rst
  ixpk= 381, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1437,1438,
 &end
#
#   38 GLU  HN           37 LEU  HN          3.50    (#    382:15  Unique         2.59, 2.75 A
)
 &rst
  ixpk= 382, nxpk= 15, iat= 566, 547, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 GLY  HA+          37 LEU  HN          3.50    (#    383:15  Unique         2.24, 2.54 A
)
 &rst
  ixpk= 383, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#    0 AMB  15-2:384     37 LEU  HN          2.80    (#    384:15  Single Ambig
)
 &rst
  ixpk= 384, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 147, 549,
 &end
#
#   36 GLY  HA-          37 LEU  HN          3.50    (#    385:15  Unique         2.24, 2.54 A
)
 &rst
  ixpk= 385, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#   37 LEU  HB+          37 LEU  HN          2.80    (#    386:15  Unique         2.38, 3.04 A
)
 &rst
  ixpk= 386, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 551, 552,
 &end
#
#    0 AMB  15-2:387     37 LEU  HN          2.80    (#    387:15  Single Ambig
)
 &rst
  ixpk= 387, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 554, 551, 552,
 &end
#
#   37 LEU  MDX          37 LEU  HN          4.50    (#    388:15  Unique         2.16, 4.35 A
)
 &rst
  ixpk= 388, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   37 LEU  MDY          37 LEU  HN          3.50    (#    389:15  Unique         2.16, 4.35 A
)
 &rst
  ixpk= 389, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   19 GLU  HN           18 ALA  HN          3.50    (#    390:15  Unique         2.77, 2.81 A
)
 &rst
  ixpk= 390, nxpk= 15, iat= 306, 296, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:391     18 ALA  HN          3.50    (#    391:15  Single Ambig
)
 &rst
  ixpk= 391, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 253, 229,
 &end
#
#   16 GLN  HA           16 GLN  HN          3.50    (#    393:15  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 393, nxpk= 15, iat= 264, 262, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:394     16 GLN  HN          3.50    (#    394:15  Single Ambig
)
 &rst
  ixpk= 394, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 253, 229,
 &end
#
#   16 GLN  HG+          16 GLN  HN          3.50    (#    395:15  Unique         2.44, 3.24 A
)
 &rst
  ixpk= 395, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 269, 270,
 &end
#
#  109 LEU  MDY         109 LEU  HN          4.50    (#    396:15  Unique         3.64, 4.41 A
)
 &rst
  ixpk= 396, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  110 GLU  HN          109 LEU  HN          3.50    (#    397:15  Unique         2.79, 2.81 A
)
 &rst
  ixpk= 397, nxpk= 15, iat=1627,1608, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 SER  HA          109 LEU  HN          2.80    (#    399:15  Unique         2.34, 2.36 A
)
 &rst
  ixpk= 399, nxpk= 15, iat=1599,1608, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  109 LEU  HA          109 LEU  HN          2.80    (#    400:15  Unique         2.82, 2.82 A
)
 &rst
  ixpk= 400, nxpk= 15, iat=1610,1608, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:401    109 LEU  HN          2.80    (#    401:15  Single Ambig
)
 &rst
  ixpk= 401, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1615,1612,1613,
 &end
#
#  109 LEU  HB-         109 LEU  HN          3.50    (#    402:15  Unique         2.45, 3.05 A
)
 &rst
  ixpk= 402, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1612,1613,
 &end
#
#  109 LEU  MDX         109 LEU  HN          4.50    (#    403:15  Unique         3.64, 4.41 A
)
 &rst
  ixpk= 403, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  119 VAL  HN          120 LYS  HN          3.50    (#    404:15  Unique         2.71, 2.85 A
)
 &rst
  ixpk= 404, nxpk= 15, iat=1780,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:405    120 LYS  HN          2.80    (#    405:15  Single Ambig
)
 &rst
  ixpk= 405, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1818, 338, 342,
 &end
#
#   21 PHE  HD          120 LYS  HN          4.50    (#    406:15  Unique         3.88, 5.37 A
)
 &rst
  ixpk= 406, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#  117 GLY  HA+         120 LYS  HN          3.50    (#    407:15  Unique         3.63, 4.22 A
)
 &rst
  ixpk= 407, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1758,1759,
 &end
#
#  117 GLY  HA-         120 LYS  HN          3.50    (#    408:15  Unique         3.63, 4.22 A
)
 &rst
  ixpk= 408, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1758,1759,
 &end
#
#  119 VAL  HA          120 LYS  HN          4.50    (#    409:15  Unique         3.59, 3.66 A
)
 &rst
  ixpk= 409, nxpk= 15, iat=1782,1796, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LYS  HA          120 LYS  HN          3.50    (#    410:15  Unique         2.83, 2.85 A
)
 &rst
  ixpk= 410, nxpk= 15, iat=1798,1796, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HB          120 LYS  HN          2.80    (#    411:15  Unique         2.61, 2.76 A
)
 &rst
  ixpk= 411, nxpk= 15, iat=1784,1796, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:412    120 LYS  HN          4.50    (#    412:15  Single Ambig
)
 &rst
  ixpk= 412, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1822,1823,1767,1768,
 &end
#
#  120 LYS  HB+         120 LYS  HN          2.80    (#    413:15  Unique         2.31, 2.51 A
)
 &rst
  ixpk= 413, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1800,1801,
 &end
#
#  119 VAL  MGX         120 LYS  HN          3.50    (#    414:15  Unique         3.29, 4.60 A
)
 &rst
  ixpk= 414, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#  120 LYS  HB-         120 LYS  HN          2.80    (#    415:15  Unique         2.31, 2.51 A
)
 &rst
  ixpk= 415, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1800,1801,
 &end
#
#  120 LYS  HG+         120 LYS  HN          4.50    (#    416:15  Unique         4.35, 4.48 A
)
 &rst
  ixpk= 416, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#  119 VAL  MGX          18 ALA  HN          3.50    (#    417:15  Unique         2.63, 4.36 A
)
 &rst
  ixpk= 417, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#   17 MET  HN           18 ALA  HN          2.80    (#    418:15  Unique         2.67, 2.74 A
)
 &rst
  ixpk= 418, nxpk= 15, iat= 279, 296, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   18 ALA  HA           18 ALA  HN          3.50    (#    419:15  Unique         2.78, 2.81 A
)
 &rst
  ixpk= 419, nxpk= 15, iat= 298, 296, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 MET  HB+          18 ALA  HN          3.50    (#    420:15  Unique         2.45, 3.01 A
)
 &rst
  ixpk= 420, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 283, 284,
 &end
#
#   17 MET  HB-          18 ALA  HN          3.50    (#    421:15  Unique         2.45, 3.01 A
)
 &rst
  ixpk= 421, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 283, 284,
 &end
#
#   18 ALA  MB           18 ALA  HN          2.80    (#    422:15  Unique         2.28, 2.90 A
)
 &rst
  ixpk= 422, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 300, 301, 302,
 &end
#
#   15 SER  HN           16 GLN  HN          3.50    (#    423:15  Unique         2.58, 2.73 A
)
 &rst
  ixpk= 423, nxpk= 15, iat= 251, 262, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 MET  HN           16 GLN  HN          3.50    (#    424:15  Unique         2.63, 2.85 A
)
 &rst
  ixpk= 424, nxpk= 15, iat= 279, 262, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HB+          16 GLN  HN          3.50    (#    425:15  Unique         2.15, 2.87 A
)
 &rst
  ixpk= 425, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 266, 267,
 &end
#
#   16 GLN  HB-          16 GLN  HN          2.80    (#    426:15  Unique         2.15, 2.87 A
)
 &rst
  ixpk= 426, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 266, 267,
 &end
#
#    0 AMB  15-2:427     69 ASN  HN          3.50    (#    427:15  Single Ambig
)
 &rst
  ixpk= 427, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1321,1006,1014,
 &end
#
#   69 ASN  HD2+         69 ASN  HN          3.50    (#    428:15  Unique         2.21, 2.80 A
)
 &rst
  ixpk= 428, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1027,1028,
 &end
#
#   68 PHE  HA           69 ASN  HN          2.80    (#    429:15  Unique         2.48, 2.53 A
)
 &rst
  ixpk= 429, nxpk= 15, iat=1000,1018, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HB+          69 ASN  HN          3.50    (#    430:15  Unique         1.90, 2.53 A
)
 &rst
  ixpk= 430, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#   68 PHE  HB-          69 ASN  HN          3.50    (#    431:15  Unique         1.90, 2.53 A
)
 &rst
  ixpk= 431, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#   69 ASN  HB+          69 ASN  HN          3.50    (#    432:15  Unique         3.52, 3.68 A
)
 &rst
  ixpk= 432, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1022,1023,
 &end
#
#    0 AMB  15-2:433     69 ASN  HN          3.50    (#    433:15  Single Ambig
)
 &rst
  ixpk= 433, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1022,1023,1058,1059,
 &end
#
#  120 LYS  HN          119 VAL  HN          3.50    (#    434:15  Unique         2.71, 2.85 A
)
 &rst
  ixpk= 434, nxpk= 15, iat=1796,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 GLN  HN          119 VAL  HN          2.80    (#    435:15  Unique         2.79, 2.81 A
)
 &rst
  ixpk= 435, nxpk= 15, iat=1763,1780, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:436    119 VAL  HN          3.50    (#    436:15  Single Ambig
)
 &rst
  ixpk= 436, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1765,1734,
 &end
#
#  115 VAL  HA          119 VAL  HN          3.50    (#    437:15  Unique         3.43, 3.55 A
)
 &rst
  ixpk= 437, nxpk= 15, iat=1718,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HA          119 VAL  HN          3.50    (#    438:15  Unique         2.80, 2.84 A
)
 &rst
  ixpk= 438, nxpk= 15, iat=1782,1780, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LYS  HA          119 VAL  HN          5.50    (#    439:15  Unique         5.29, 5.38 A
)
 &rst
  ixpk= 439, nxpk= 15, iat=1798,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 GLN  HB-         119 VAL  HN          3.50    (#    440:15  Unique         2.41, 3.03 A
)
 &rst
  ixpk= 440, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1767,1768,
 &end
#
#  119 VAL  MGY         119 VAL  HN          2.80    (#    441:15  Unique         2.33, 3.91 A
)
 &rst
  ixpk= 441, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  15-2:442    119 VAL  HN          3.50    (#    442:15  Single Ambig
)
 &rst
  ixpk= 442, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
 igr1=1508,1722,1723,1724,1726,1727,1728,1722,1723,1724,
      1726,1727,1728,
 &end
#
#   57 ILE  HA           57 ILE  HN          3.50    (#    444:15  Unique         2.89, 2.91 A
)
 &rst
  ixpk= 444, nxpk= 15, iat= 847, 845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 ILE  HG1-         57 ILE  HN          3.50    (#    445:15  Unique         2.64, 3.28 A
)
 &rst
  ixpk= 445, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 855, 856,
 &end
#
#   57 ILE  HG1+         57 ILE  HN          2.80    (#    446:15  Unique         2.64, 3.28 A
)
 &rst
  ixpk= 446, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 855, 856,
 &end
#
#   57 ILE  QG2          57 ILE  HN          4.50    (#    447:15  Unique         4.59, 4.88 A
)
 &rst
  ixpk= 447, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 851, 852, 853,
 &end
#
#   47 ILE  HG1-         57 ILE  HN          3.50    (#    448:15  Unique         2.45, 3.09 A
)
 &rst
  ixpk= 448, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#   92 THR  HN           93 GLN  HN          2.80    (#    449:15  Unique         2.28, 2.53 A
)
 &rst
  ixpk= 449, nxpk= 15, iat=1348,1362, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 THR  HA           93 GLN  HN          2.80    (#    451:15  Unique         2.83, 2.91 A
)
 &rst
  ixpk= 451, nxpk= 15, iat=1350,1362, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  HA           93 GLN  HN          4.50    (#    452:15  Unique         3.77, 4.05 A
)
 &rst
  ixpk= 452, nxpk= 15, iat=1334,1362, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 GLN  HB+          93 GLN  HN          3.50    (#    453:15  Unique         2.23, 3.06 A
)
 &rst
  ixpk= 453, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1366,1367,
 &end
#
#   93 GLN  HG+          93 GLN  HN          3.50    (#    454:15  Unique         2.46, 3.28 A
)
 &rst
  ixpk= 454, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1369,1370,
 &end
#
#   93 GLN  HG-          93 GLN  HN          3.50    (#    455:15  Unique         2.46, 3.28 A
)
 &rst
  ixpk= 455, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1369,1370,
 &end
#
#   93 GLN  HB-          93 GLN  HN          3.50    (#    456:15  Unique         2.23, 3.06 A
)
 &rst
  ixpk= 456, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1366,1367,
 &end
#
#   18 ALA  HA           21 PHE  HN          4.50    (#    457:15  Unique         3.35, 3.54 A
)
 &rst
  ixpk= 457, nxpk= 15, iat= 298, 328, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   22 ALA  HN           21 PHE  HN          2.80    (#    458:15  Unique         2.68, 2.76 A
)
 &rst
  ixpk= 458, nxpk= 15, iat= 348, 328, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   20 GLY  HN           21 PHE  HN          3.50    (#    459:15  Unique         2.71, 2.76 A
)
 &rst
  ixpk= 459, nxpk= 15, iat= 321, 328, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 PHE  HD           21 PHE  HN          3.50    (#    460:15  Unique         3.10, 3.71 A
)
 &rst
  ixpk= 460, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 336, 344,
 &end
#
#   21 PHE  HA           21 PHE  HN          3.50    (#    461:15  Unique         2.87, 2.89 A
)
 &rst
  ixpk= 461, nxpk= 15, iat= 330, 328, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   20 GLY  HA+          21 PHE  HN          3.50    (#    462:15  Unique         2.84, 3.25 A
)
 &rst
  ixpk= 462, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 323, 324,
 &end
#
#   20 GLY  HA-          21 PHE  HN          3.50    (#    463:15  Unique         2.84, 3.25 A
)
 &rst
  ixpk= 463, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 323, 324,
 &end
#
#   21 PHE  HB+          21 PHE  HN          3.50    (#    464:15  Unique         2.44, 3.07 A
)
 &rst
  ixpk= 464, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 332, 333,
 &end
#
#   21 PHE  HB-          21 PHE  HN          2.80    (#    465:15  Unique         2.44, 3.07 A
)
 &rst
  ixpk= 465, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 332, 333,
 &end
#
#    0 AMB  15-2:466     21 PHE  HN          4.50    (#    466:15  Single Ambig
)
 &rst
  ixpk= 466, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 352, 353, 354, 398, 399,
 &end
#
#    0 AMB  15-2:467     21 PHE  HN          4.50    (#    467:15  Single Ambig
)
 &rst
  ixpk= 467, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409, 855, 856,
 &end
#
#   50 MET  ME           21 PHE  HN          4.50    (#    468:15  Unique         2.36, 3.36 A
)
 &rst
  ixpk= 468, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 755, 756, 757,
 &end
#
#    3 LYS  HN           74 ASP  HN          3.50    (#    469:15  Unique         2.31, 2.68 A
)
 &rst
  ixpk= 469, nxpk= 15, iat=  43,1087, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 VAL  HN           74 ASP  HN          2.80    (#    470:15  Unique         1.94, 2.32 A
)
 &rst
  ixpk= 470, nxpk= 15, iat=1099,1087, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:471     74 ASP  HN          3.50    (#    471:15  Single Ambig
)
 &rst
  ixpk= 471, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1089,  67,
 &end
#
#   73 TYR  HA           74 ASP  HN          2.80    (#    472:15  Unique         2.12, 2.19 A
)
 &rst
  ixpk= 472, nxpk= 15, iat=1068,1087, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 ASP  HB+          74 ASP  HN          3.50    (#    473:15  Unique         2.43, 2.58 A
)
 &rst
  ixpk= 473, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1091,1092,
 &end
#
#    0 AMB  15-2:474     74 ASP  HN          2.80    (#    474:15  Single Ambig
)
 &rst
  ixpk= 474, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1091,1092,1070,1071,
 &end
#
#    3 LYS  HB-          74 ASP  HN          3.50    (#    475:15  Unique         2.15, 2.76 A
)
 &rst
  ixpk= 475, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  47,  48,
 &end
#
#    0 AMB  15-2:476     74 ASP  HN          4.50    (#    476:15  Single Ambig
)
 &rst
  ixpk= 476, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  53,  54,  25,  26,  31,  32,
 &end
#
#   75 VAL  MGX          74 ASP  HN          3.50    (#    477:15  Unique         3.69, 5.73 A
)
 &rst
  ixpk= 477, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   73 TYR  HB+          74 ASP  HN          3.50    (#    478:15  Unique         2.89, 3.86 A
)
 &rst
  ixpk= 478, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1070,1071,
 &end
#
#   67 ASN  HN           66 GLU  HN          3.50    (#    479:15  Unique         2.61, 2.76 A
)
 &rst
  ixpk= 479, nxpk= 15, iat= 984, 969, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HA           66 GLU  HN          2.80    (#    480:15  Unique         2.72, 2.79 A
)
 &rst
  ixpk= 480, nxpk= 15, iat= 971, 969, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 ILE  HA           66 GLU  HN          4.50    (#    481:15  Unique         3.42, 3.46 A
)
 &rst
  ixpk= 481, nxpk= 15, iat= 952, 969, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:482     66 GLU  HN          2.80    (#    482:15  Single Ambig
)
 &rst
  ixpk= 482, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 976, 977, 943, 944,
 &end
#
#    0 AMB  15-2:483     66 GLU  HN          2.80    (#    483:15  Single Ambig
)
 &rst
  ixpk= 483, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 943, 944, 973, 974,
 &end
#
#   65 ILE  QG2          66 GLU  HN          2.80    (#    484:15  Unique         2.54, 3.25 A
)
 &rst
  ixpk= 484, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 956, 957, 958,
 &end
#
#   62 SER  HA           62 SER  HN          3.50    (#    485:15  Unique         2.90, 2.95 A
)
 &rst
  ixpk= 485, nxpk= 15, iat= 915, 913, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 THR  HA           62 SER  HN          2.80    (#    486:15  Unique         2.17, 2.44 A
)
 &rst
  ixpk= 486, nxpk= 15, iat= 901, 913, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 THR  HB           62 SER  HN          2.80    (#    487:15  Unique         1.95, 2.31 A
)
 &rst
  ixpk= 487, nxpk= 15, iat= 903, 913, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 SER  HB+          62 SER  HN          2.80    (#    488:15  Unique         2.75, 3.27 A
)
 &rst
  ixpk= 488, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 917, 918,
 &end
#
#   62 SER  HB-          62 SER  HN          3.50    (#    489:15  Unique         2.75, 3.27 A
)
 &rst
  ixpk= 489, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 917, 918,
 &end
#
#   61 THR  MG2          62 SER  HN          3.50    (#    490:15  Unique         3.77, 4.41 A
)
 &rst
  ixpk= 490, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 905, 906, 907,
 &end
#
#   42 VAL  MGY          62 SER  HN          4.50    (#    491:15  Unique         2.61, 5.24 A
)
 &rst
  ixpk= 491, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#  113 ARG  HN          112 PHE  HN          3.50    (#    492:15  Unique         2.97, 3.01 A
)
 &rst
  ixpk= 492, nxpk= 15, iat=1678,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 GLU  HN          112 PHE  HN          4.50    (#    493:15  Unique         4.13, 4.23 A
)
 &rst
  ixpk= 493, nxpk= 15, iat=1627,1658, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 VAL  HN          112 PHE  HN          2.80    (#    494:15  Unique         2.48, 2.53 A
)
 &rst
  ixpk= 494, nxpk= 15, iat=1642,1658, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 PHE  HD          112 PHE  HN          2.80    (#    495:15  Unique         2.69, 3.83 A
)
 &rst
  ixpk= 495, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1666,1674,
 &end
#
#  109 LEU  HA          112 PHE  HN          3.50    (#    496:15  Unique         3.18, 3.26 A
)
 &rst
  ixpk= 496, nxpk= 15, iat=1610,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HB+         112 PHE  HN          2.80    (#    497:15  Unique         2.13, 2.83 A
)
 &rst
  ixpk= 497, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1662,1663,
 &end
#
#  112 PHE  HB-         112 PHE  HN          3.50    (#    498:15  Unique         2.13, 2.83 A
)
 &rst
  ixpk= 498, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  111 VAL  HB          112 PHE  HN          2.80    (#    499:15  Unique         2.43, 2.49 A
)
 &rst
  ixpk= 499, nxpk= 15, iat=1646,1658, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:500    112 PHE  HN          3.50    (#    500:15  Single Ambig
)
 &rst
  ixpk= 500, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1584,1585,1631,1632,
 &end
#
#  111 VAL  MGY         112 PHE  HN          3.50    (#    501:15  Unique         3.41, 4.47 A
)
 &rst
  ixpk= 501, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         112 PHE  HN          3.50    (#    502:15  Unique         3.41, 4.47 A
)
 &rst
  ixpk= 502, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#   83 GLY  HN           84 VAL  HN          3.50    (#    503:15  Unique         2.45, 2.77 A
)
 &rst
  ixpk= 503, nxpk= 15, iat=1209,1216, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 ASN  HN           84 VAL  HN          4.50    (#    504:15  Unique         4.12, 4.46 A
)
 &rst
  ixpk= 504, nxpk= 15, iat=1232,1216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 CYS  HA           84 VAL  HN          4.50    (#    506:15  Unique         3.11, 4.37 A
)
 &rst
  ixpk= 506, nxpk= 15, iat=1200,1216, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 GLY  HA-          84 VAL  HN          3.50    (#    508:15  Unique         2.64, 3.25 A
)
 &rst
  ixpk= 508, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1211,1212,
 &end
#
#   84 VAL  HB           84 VAL  HN          2.80    (#    509:15  Unique         2.24, 2.49 A
)
 &rst
  ixpk= 509, nxpk= 15, iat=1220,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ASP  HA          105 ASP  HN          2.80    (#    512:15  Unique         2.81, 2.83 A
)
 &rst
  ixpk= 512, nxpk= 15, iat=1563,1561, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  105 ASP  HB+         105 ASP  HN          2.80    (#    513:15  Unique         2.24, 2.49 A
)
 &rst
  ixpk= 513, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1565,1566,
 &end
#
#  105 ASP  HB-         105 ASP  HN          2.80    (#    514:15  Unique         2.24, 2.49 A
)
 &rst
  ixpk= 514, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1565,1566,
 &end
#
#   68 PHE  HB+          68 PHE  HN          3.50    (#    515:15  Unique         2.44, 3.12 A
)
 &rst
  ixpk= 515, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#   49 MET  HN           50 MET  HN          2.80    (#    516:15  Unique         2.56, 2.74 A
)
 &rst
  ixpk= 516, nxpk= 15, iat= 727, 744, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HN           50 MET  HN          2.80    (#    517:15  Unique         2.38, 2.50 A
)
 &rst
  ixpk= 517, nxpk= 15, iat= 761, 744, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   49 MET  HA           50 MET  HN          4.50    (#    519:15  Unique         3.53, 3.58 A
)
 &rst
  ixpk= 519, nxpk= 15, iat= 729, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:520     50 MET  HN          4.50    (#    520:15  Single Ambig
)
 &rst
  ixpk= 520, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 690, 763,
 &end
#
#    0 AMB  15-2:521     50 MET  HN          4.50    (#    521:15  Single Ambig
)
 &rst
  ixpk= 521, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 783, 784, 837, 838,
 &end
#
#   49 MET  HB-          50 MET  HN          3.50    (#    522:15  Unique         2.60, 3.11 A
)
 &rst
  ixpk= 522, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#   50 MET  HG+          50 MET  HN          2.80    (#    523:15  Unique         2.05, 2.80 A
)
 &rst
  ixpk= 523, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 751, 752,
 &end
#
#   50 MET  HB+          50 MET  HN          2.80    (#    524:15  Unique         2.26, 2.95 A
)
 &rst
  ixpk= 524, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 748, 749,
 &end
#
#   50 MET  HB-          50 MET  HN          3.50    (#    525:15  Unique         2.26, 2.95 A
)
 &rst
  ixpk= 525, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 748, 749,
 &end
#
#   49 MET  HB+          50 MET  HN          4.50    (#    526:15  Unique         2.60, 3.11 A
)
 &rst
  ixpk= 526, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 731, 732,
 &end
#
#    0 AMB  15-2:527     50 MET  HN          4.50    (#    527:15  Single Ambig
)
 &rst
  ixpk= 527, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 855, 856, 797, 798, 799, 801, 802, 803, 818,
 &end
#
#   58 SER  HB-          58 SER  HN          2.80    (#    529:15  Unique         2.42, 3.12 A
)
 &rst
  ixpk= 529, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 868, 869,
 &end
#
#   58 SER  HA           58 SER  HN          2.80    (#    530:15  Unique         2.70, 2.77 A
)
 &rst
  ixpk= 530, nxpk= 15, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ILE  QG2          58 SER  HN          3.50    (#    531:15  Unique         2.28, 3.45 A
)
 &rst
  ixpk= 531, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 704, 705, 706,
 &end
#
#   96 PHE  HE           78 SER  HN          3.50    (#    532:15  Unique         2.97, 4.28 A
)
 &rst
  ixpk= 532, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1427,
 &end
#
#   78 SER  HA           78 SER  HN          3.50    (#    533:15  Unique         2.93, 2.97 A
)
 &rst
  ixpk= 533, nxpk= 15, iat=1152,1150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 ASP  HA           78 SER  HN          3.50    (#    534:15  Unique         2.66, 2.94 A
)
 &rst
  ixpk= 534, nxpk= 15, iat=1450,1150, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 ILE  HA           78 SER  HN          2.80    (#    535:15  Unique         2.12, 2.18 A
)
 &rst
  ixpk= 535, nxpk= 15, iat=1133,1150, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 SER  HB+          78 SER  HN          3.50    (#    536:15  Unique         2.29, 2.79 A
)
 &rst
  ixpk= 536, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#   78 SER  HB-          78 SER  HN          3.50    (#    537:15  Unique         2.29, 2.79 A
)
 &rst
  ixpk= 537, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1154,1155,
 &end
#
#   77 ILE  QG2          78 SER  HN          3.50    (#    538:15  Unique         2.78, 3.74 A
)
 &rst
  ixpk= 538, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1137,1138,1139,
 &end
#
#  106 GLY  HN          107 GLN  HN          2.80    (#    539:15  Unique         2.00, 2.29 A
)
 &rst
  ixpk= 539, nxpk= 15, iat=1573,1580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 PHE  HZ          107 GLN  HN          3.50    (#    540:15  Unique         3.38, 3.53 A
)
 &rst
  ixpk= 540, nxpk= 15, iat=1670,1580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:541    107 GLN  HN          4.50    (#    541:15  Single Ambig
)
 &rst
  ixpk= 541, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1575,1576,1563,
 &end
#
#    0 AMB  15-2:542    107 GLN  HN          3.50    (#    542:15  Single Ambig
)
 &rst
  ixpk= 542, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1575,1576,1557,
 &end
#
#  107 GLN  HG+         107 GLN  HN          2.80    (#    543:15  Unique         2.16, 2.96 A
)
 &rst
  ixpk= 543, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1587,1588,
 &end
#
#    0 AMB  15-2:544    107 GLN  HN          2.80    (#    544:15  Single Ambig
)
 &rst
  ixpk= 544, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1587,1588,1584,1585,
 &end
#
#   68 PHE  HA           68 PHE  HN          3.50    (#    546:15  Unique         2.93, 2.98 A
)
 &rst
  ixpk= 546, nxpk= 15, iat=1000, 998, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 ASN  HN           68 PHE  HN          2.80    (#    547:15  Unique         2.26, 2.59 A
)
 &rst
  ixpk= 547, nxpk= 15, iat= 984, 998, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:548     68 PHE  HN          2.80    (#    548:15  Single Ambig
)
 &rst
  ixpk= 548, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1006,1014,1321,
 &end
#
#   67 ASN  HA           68 PHE  HN          3.50    (#    549:15  Unique         3.35, 3.50 A
)
 &rst
  ixpk= 549, nxpk= 15, iat= 986, 998, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HA           68 PHE  HN          4.50    (#    550:15  Unique         3.98, 4.14 A
)
 &rst
  ixpk= 550, nxpk= 15, iat= 971, 998, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 PHE  HB-          68 PHE  HN          3.50    (#    551:15  Unique         2.44, 3.12 A
)
 &rst
  ixpk= 551, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1002,1003,
 &end
#
#    0 AMB  15-2:552     68 PHE  HN          3.50    (#    552:15  Single Ambig
)
 &rst
  ixpk= 552, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 988, 989, 988, 989,
 &end
#
#    0 AMB  15-2:553     78 SER  HN          3.50    (#    553:15  Single Ambig
)
 &rst
  ixpk= 553, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1144,1145,1146, 124, 125, 126, 128, 129, 130,
 &end
#
#   18 ALA  HN           17 MET  HN          3.50    (#    554:15  Unique         2.67, 2.74 A
)
 &rst
  ixpk= 554, nxpk= 15, iat= 296, 279, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HN           17 MET  HN          3.50    (#    555:15  Unique         2.63, 2.85 A
)
 &rst
  ixpk= 555, nxpk= 15, iat= 262, 279, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 MET  HA           17 MET  HN          3.50    (#    556:15  Unique         2.84, 2.86 A
)
 &rst
  ixpk= 556, nxpk= 15, iat= 281, 279, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 MET  HG+          17 MET  HN          3.50    (#    557:15  Unique         2.25, 3.05 A
)
 &rst
  ixpk= 557, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 286, 287,
 &end
#
#   17 MET  HB+          17 MET  HN          2.80    (#    558:15  Unique         2.30, 2.96 A
)
 &rst
  ixpk= 558, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 283, 284,
 &end
#
#   17 MET  HB-          17 MET  HN          3.50    (#    559:15  Unique         2.30, 2.96 A
)
 &rst
  ixpk= 559, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 283, 284,
 &end
#
#   16 GLN  HB-          17 MET  HN          3.50    (#    560:15  Unique         2.57, 3.01 A
)
 &rst
  ixpk= 560, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 266, 267,
 &end
#
#   28 GLY  HN           29 LYS  HN          3.50    (#    561:15  Unique         2.32, 2.43 A
)
 &rst
  ixpk= 561, nxpk= 15, iat= 430, 437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   30 ILE  HN           29 LYS  HN          2.80    (#    562:15  Unique         1.78, 1.82 A
)
 &rst
  ixpk= 562, nxpk= 15, iat= 459, 437, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   29 LYS  HA           29 LYS  HN          3.50    (#    563:15  Unique         2.96, 2.96 A
)
 &rst
  ixpk= 563, nxpk= 15, iat= 439, 437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:564     29 LYS  HN          3.50    (#    564:15  Single Ambig
)
 &rst
  ixpk= 564, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 432, 433, 422,
 &end
#
#   28 GLY  HA-          29 LYS  HN          3.50    (#    565:15  Unique         2.83, 3.29 A
)
 &rst
  ixpk= 565, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 432, 433,
 &end
#
#    0 AMB  15-2:566     29 LYS  HN          2.80    (#    566:15  Single Ambig
)
 &rst
  ixpk= 566, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 441, 442,  15,  16,  17,
 &end
#
#   29 LYS  HD+          29 LYS  HN          2.80    (#    567:15  Unique         2.07, 3.58 A
)
 &rst
  ixpk= 567, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 447, 448,
 &end
#
#   29 LYS  HG+          29 LYS  HN          2.80    (#    568:15  Unique         2.26, 3.19 A
)
 &rst
  ixpk= 568, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 444, 445,
 &end
#
#   30 ILE  HG1+         29 LYS  HN          4.50    (#    569:15  Unique         4.02, 4.36 A
)
 &rst
  ixpk= 569, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 469, 470,
 &end
#
#   88 PRO  HB+          89 GLU  HN          4.50    (#    570:15  Unique         1.93, 2.79 A
)
 &rst
  ixpk= 570, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1286,1287,
 &end
#
#   88 PRO  HA           89 GLU  HN          3.50    (#    571:15  Unique         2.28, 2.42 A
)
 &rst
  ixpk= 571, nxpk= 15, iat=1289,1293, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HA           19 GLU  HN          4.50    (#    572:15  Unique         3.10, 3.35 A
)
 &rst
  ixpk= 572, nxpk= 15, iat= 264, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   19 GLU  HA           19 GLU  HN          3.50    (#    573:15  Unique         2.83, 2.86 A
)
 &rst
  ixpk= 573, nxpk= 15, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   19 GLU  HB+          19 GLU  HN          2.80    (#    574:15  Unique         2.30, 2.62 A
)
 &rst
  ixpk= 574, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#   18 ALA  MB           19 GLU  HN          2.80    (#    575:15  Unique         2.71, 3.59 A
)
 &rst
  ixpk= 575, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 300, 301, 302,
 &end
#
#  123 VAL  HN          122 ARG  HN          2.80    (#    576:15  Unique         2.77, 2.81 A
)
 &rst
  ixpk= 576, nxpk= 15, iat=1857,1833, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 GLU  HA          122 ARG  HN          4.50    (#    577:15  Unique         3.55, 3.59 A
)
 &rst
  ixpk= 577, nxpk= 15, iat=1820,1833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HA          122 ARG  HN          3.50    (#    578:15  Unique         2.85, 2.87 A
)
 &rst
  ixpk= 578, nxpk= 15, iat=1835,1833, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 VAL  HA          122 ARG  HN          4.50    (#    579:15  Unique         3.24, 3.48 A
)
 &rst
  ixpk= 579, nxpk= 15, iat=1782,1833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HD-         122 ARG  HN          3.50    (#    580:15  Unique         2.42, 3.99 A
)
 &rst
  ixpk= 580, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1843,1844,
 &end
#
#  121 GLU  HB-         122 ARG  HN          2.80    (#    581:15  Unique         2.58, 3.49 A
)
 &rst
  ixpk= 581, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1822,1823,
 &end
#
#  122 ARG  HG+         122 ARG  HN          3.50    (#    582:15  Unique         2.40, 3.22 A
)
 &rst
  ixpk= 582, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  122 ARG  HG-         122 ARG  HN          3.50    (#    583:15  Unique         2.40, 3.22 A
)
 &rst
  ixpk= 583, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1840,1841,
 &end
#
#  122 ARG  HB+         122 ARG  HN          2.80    (#    584:15  Unique         2.33, 3.01 A
)
 &rst
  ixpk= 584, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1837,1838,
 &end
#
#  122 ARG  HB-         122 ARG  HN          3.50    (#    585:15  Unique         2.33, 3.01 A
)
 &rst
  ixpk= 585, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1837,1838,
 &end
#
#   90 TRP  HN           89 GLU  HN          3.50    (#    586:15  Unique         2.46, 2.74 A
)
 &rst
  ixpk= 586, nxpk= 15, iat=1308,1293, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 GLU  HA           89 GLU  HN          2.80    (#    587:15  Unique         2.76, 2.84 A
)
 &rst
  ixpk= 587, nxpk= 15, iat=1295,1293, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:588     89 GLU  HN          2.80    (#    588:15  Single Ambig
)
 &rst
  ixpk= 588, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1300,1301,1300,1301,
 &end
#
#   88 PRO  HB-          89 GLU  HN          3.50    (#    589:15  Unique         1.93, 2.79 A
)
 &rst
  ixpk= 589, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1286,1287,
 &end
#
#   89 GLU  HB+          89 GLU  HN          3.50    (#    590:15  Unique         2.42, 3.07 A
)
 &rst
  ixpk= 590, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1297,1298,
 &end
#
#   89 GLU  HB-          89 GLU  HN          3.50    (#    591:15  Unique         2.42, 3.07 A
)
 &rst
  ixpk= 591, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1297,1298,
 &end
#
#  122 ARG  HA          125 ASN  HN          3.50    (#    592:15  Unique         2.98, 3.18 A
)
 &rst
  ixpk= 592, nxpk= 15, iat=1835,1888, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HN           67 ASN  HN          3.50    (#    593:15  Unique         2.61, 2.76 A
)
 &rst
  ixpk= 593, nxpk= 15, iat= 969, 984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HN           67 ASN  HN          2.80    (#    594:15  Unique         2.26, 2.59 A
)
 &rst
  ixpk= 594, nxpk= 15, iat= 998, 984, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 PHE  HD           67 ASN  HN          4.50    (#    595:15  Unique         3.29, 5.15 A
)
 &rst
  ixpk= 595, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1006,1014,
 &end
#
#   67 ASN  HA           67 ASN  HN          3.50    (#    596:15  Unique         2.89, 2.92 A
)
 &rst
  ixpk= 596, nxpk= 15, iat= 986, 984, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HA           67 ASN  HN          4.50    (#    597:15  Unique         3.39, 3.47 A
)
 &rst
  ixpk= 597, nxpk= 15, iat= 971, 984, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:598     67 ASN  HN          2.80    (#    598:15  Single Ambig
)
 &rst
  ixpk= 598, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 988, 989, 988, 989,
 &end
#
#   66 GLU  HB+          67 ASN  HN          4.50    (#    599:15  Unique         2.99, 3.66 A
)
 &rst
  ixpk= 599, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 973, 974,
 &end
#
#  124 GLU  HN          125 ASN  HN          2.80    (#    600:15  Unique         2.69, 2.73 A
)
 &rst
  ixpk= 600, nxpk= 15, iat=1873,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  126 LEU  HN          125 ASN  HN          2.80    (#    601:15  Unique         2.65, 2.72 A
)
 &rst
  ixpk= 601, nxpk= 15, iat=1902,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  125 ASN  HA          125 ASN  HN          2.80    (#    602:15  Unique         2.81, 2.82 A
)
 &rst
  ixpk= 602, nxpk= 15, iat=1890,1888, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 GLU  HA          125 ASN  HN          3.50    (#    603:15  Unique         3.51, 3.52 A
)
 &rst
  ixpk= 603, nxpk= 15, iat=1875,1888, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ASN  HB+         125 ASN  HN          2.80    (#    604:15  Unique         2.15, 2.63 A
)
 &rst
  ixpk= 604, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1892,1893,
 &end
#
#  124 GLU  HG-         125 ASN  HN          4.50    (#    605:15  Unique         4.33, 4.71 A
)
 &rst
  ixpk= 605, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1880,1881,
 &end
#
#  124 GLU  HB+         125 ASN  HN          3.50    (#    606:15  Unique         2.58, 3.10 A
)
 &rst
  ixpk= 606, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1877,1878,
 &end
#
#   73 TYR  HA           73 TYR  HN          2.80    (#    607:15  Unique         2.90, 2.91 A
)
 &rst
  ixpk= 607, nxpk= 15, iat=1068,1066, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 TYR  HB+          73 TYR  HN          3.50    (#    608:15  Unique         2.30, 3.02 A
)
 &rst
  ixpk= 608, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1070,1071,
 &end
#
#  126 LEU  HN          127 ILE  HN          3.50    (#    609:15  Unique         2.63, 2.75 A
)
 &rst
  ixpk= 609, nxpk= 15, iat=1902,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HN          127 ILE  HN          5.50    (#    610:15  Unique         4.28, 4.32 A
)
 &rst
  ixpk= 610, nxpk= 15, iat=1950,1921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  126 LEU  HA          127 ILE  HN          3.50    (#    611:15  Unique         3.57, 3.58 A
)
 &rst
  ixpk= 611, nxpk= 15, iat=1904,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 GLU  HA          127 ILE  HN          3.50    (#    612:15  Unique         3.53, 3.56 A
)
 &rst
  ixpk= 612, nxpk= 15, iat=1875,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HA          127 ILE  HN          3.50    (#    613:15  Unique         2.77, 2.79 A
)
 &rst
  ixpk= 613, nxpk= 15, iat=1923,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  126 LEU  HB+         127 ILE  HN          3.50    (#    614:15  Unique         3.45, 3.93 A
)
 &rst
  ixpk= 614, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1906,1907,
 &end
#
#  127 ILE  HB          127 ILE  HN          2.80    (#    615:15  Unique         2.32, 2.38 A
)
 &rst
  ixpk= 615, nxpk= 15, iat=1925,1921, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  127 ILE  HG1-        127 ILE  HN          2.80    (#    616:15  Unique         2.13, 2.80 A
)
 &rst
  ixpk= 616, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1931,1932,
 &end
#
#  126 LEU  HG          127 ILE  HN          3.50    (#    617:15  Unique         2.00, 2.09 A
)
 &rst
  ixpk= 617, nxpk= 15, iat=1909,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  127 ILE  HG1+        127 ILE  HN          3.50    (#    618:15  Unique         2.13, 2.80 A
)
 &rst
  ixpk= 618, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1931,1932,
 &end
#
#    0 AMB  15-2:619    127 ILE  HN          3.50    (#    619:15  Single Ambig
)
 &rst
  ixpk= 619, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1927,1928,1929,1978,1979,1980,
 &end
#
#   73 TYR  HD           73 TYR  HN          2.80    (#    620:15  Unique         2.53, 3.86 A
)
 &rst
  ixpk= 620, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1074,1083,
 &end
#
#   73 TYR  HB-          73 TYR  HN          2.80    (#    621:15  Unique         2.30, 3.02 A
)
 &rst
  ixpk= 621, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1070,1071,
 &end
#
#  114 THR  HN          113 ARG  HN          3.50    (#    622:15  Unique         2.81, 2.93 A
)
 &rst
  ixpk= 622, nxpk= 15, iat=1702,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HN          113 ARG  HN          3.50    (#    623:15  Unique         2.97, 3.01 A
)
 &rst
  ixpk= 623, nxpk= 15, iat=1658,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  110 GLU  HA          113 ARG  HN          4.50    (#    624:15  Unique         3.27, 3.59 A
)
 &rst
  ixpk= 624, nxpk= 15, iat=1629,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 ARG  HA          113 ARG  HN          3.50    (#    625:15  Unique         2.79, 2.82 A
)
 &rst
  ixpk= 625, nxpk= 15, iat=1680,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HA          113 ARG  HN          4.50    (#    626:15  Unique         3.62, 3.64 A
)
 &rst
  ixpk= 626, nxpk= 15, iat=1660,1678, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 PHE  HB+         113 ARG  HN          3.50    (#    627:15  Unique         2.56, 2.82 A
)
 &rst
  ixpk= 627, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#  113 ARG  HD+         113 ARG  HN          4.50    (#    628:15  Unique         3.25, 4.22 A
)
 &rst
  ixpk= 628, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1688,1689,
 &end
#
#  112 PHE  HB-         113 ARG  HN          3.50    (#    629:15  Unique         2.56, 2.82 A
)
 &rst
  ixpk= 629, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1662,1663,
 &end
#
#   49 MET  ME          113 ARG  HN          2.80    (#    630:15  Unique         2.91, 3.86 A
)
 &rst
  ixpk= 630, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 738, 739, 740,
 &end
#
#  113 ARG  HG+         113 ARG  HN          3.50    (#    631:15  Unique         2.19, 2.93 A
)
 &rst
  ixpk= 631, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1685,1686,
 &end
#
#   82 CYS  HA           82 CYS  HN          3.50    (#    633:15  Unique         2.25, 2.81 A
)
 &rst
  ixpk= 633, nxpk= 15, iat=1200,1198, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 GLY  HA-          82 CYS  HN          2.80    (#    634:15  Unique         2.42, 3.09 A
)
 &rst
  ixpk= 634, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1193,1194,
 &end
#
#   82 CYS  HB+          82 CYS  HN          2.80    (#    635:15  Unique         2.43, 3.25 A
)
 &rst
  ixpk= 635, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1202,1203,
 &end
#
#   89 GLU  HB-          90 TRP  HN          3.50    (#    636:15  Unique         3.29, 3.90 A
)
 &rst
  ixpk= 636, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1297,1298,
 &end
#
#    0 AMB  15-2:637     90 TRP  HN          2.80    (#    637:15  Single Ambig
)
 &rst
  ixpk= 637, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1283,1284,1300,1301,1300,1301,
 &end
#
#   46 ALA  HN           47 ILE  HN          3.50    (#    638:15  Unique         2.45, 2.55 A
)
 &rst
  ixpk= 638, nxpk= 15, iat= 688, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   44 PRO  HA           47 ILE  HN          3.50    (#    639:15  Unique         3.51, 3.54 A
)
 &rst
  ixpk= 639, nxpk= 15, iat= 670, 698, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:640      0 AMB  15-1:640    2.80    (#    640:15  Double Ambig
)
 &rst
  ixpk= 640, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1286,1287, 702,
 igr2=1308, 698,
 &end
#
#   47 ILE  QD1          47 ILE  HN          3.50    (#    641:15  Unique         1.74, 3.39 A
)
 &rst
  ixpk= 641, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 711, 712, 713,
 &end
#
#   81 GLY  HA+          82 CYS  HN          3.50    (#    642:15  Unique         2.42, 3.09 A
)
 &rst
  ixpk= 642, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1193,1194,
 &end
#
#   70 ALA  MB           90 TRP  HN          4.50    (#    643:15  Unique         3.12, 4.16 A
)
 &rst
  ixpk= 643, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1036,1037,1038,
 &end
#
#   89 GLU  HN           90 TRP  HN          3.50    (#    644:15  Unique         2.46, 2.74 A
)
 &rst
  ixpk= 644, nxpk= 15, iat=1293,1308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HN           90 TRP  HN          2.80    (#    645:15  Unique         2.64, 2.74 A
)
 &rst
  ixpk= 645, nxpk= 15, iat=1332,1308, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:646     90 TRP  HN          2.80    (#    646:15  Single Ambig
)
 &rst
  ixpk= 646, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1310,1289,
 &end
#
#   90 TRP  HB+          90 TRP  HN          2.80    (#    648:15  Unique         2.29, 2.98 A
)
 &rst
  ixpk= 648, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1312,1313,
 &end
#
#   90 TRP  HB-          90 TRP  HN          2.80    (#    649:15  Unique         2.29, 2.98 A
)
 &rst
  ixpk= 649, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1312,1313,
 &end
#
#   47 ILE  HG1-         47 ILE  HN          3.50    (#    651:15  Unique         1.88, 2.98 A
)
 &rst
  ixpk= 651, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 708, 709,
 &end
#
#   70 ALA  HA           72 ASP  HN          4.50    (#    652:15  Unique         3.11, 3.31 A
)
 &rst
  ixpk= 652, nxpk= 15, iat=1034,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASP  HN           72 ASP  HN          2.80    (#    654:15  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 654, nxpk= 15, iat=1042,1054, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 ASP  HA           72 ASP  HN          2.80    (#    655:15  Unique         2.91, 2.92 A
)
 &rst
  ixpk= 655, nxpk= 15, iat=1056,1054, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 ASP  HB+          72 ASP  HN          2.80    (#    656:15  Unique         2.40, 2.64 A
)
 &rst
  ixpk= 656, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1059,
 &end
#
#   71 ASP  HB+          72 ASP  HN          4.50    (#    657:15  Unique         3.21, 3.83 A
)
 &rst
  ixpk= 657, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1046,1047,
 &end
#
#   71 ASP  HB-          72 ASP  HN          3.50    (#    658:15  Unique         3.21, 3.83 A
)
 &rst
  ixpk= 658, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1046,1047,
 &end
#
#   72 ASP  HB-          72 ASP  HN          2.80    (#    659:15  Unique         2.40, 2.64 A
)
 &rst
  ixpk= 659, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1059,
 &end
#
#   51 GLU  HN           52 GLU  HN          2.80    (#    660:15  Unique         2.72, 2.78 A
)
 &rst
  ixpk= 660, nxpk= 15, iat= 761, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:661     52 GLU  HN          4.50    (#    661:15  Single Ambig
)
 &rst
  ixpk= 661, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 744, 814,
 &end
#
#   54 GLY  HN           52 GLU  HN          4.50    (#    662:15  Unique         3.69, 3.80 A
)
 &rst
  ixpk= 662, nxpk= 15, iat= 807, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 VAL  HN           52 GLU  HN          2.80    (#    663:15  Unique         2.59, 2.66 A
)
 &rst
  ixpk= 663, nxpk= 15, iat= 791, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   49 MET  HA           52 GLU  HN          4.50    (#    665:15  Unique         3.34, 3.55 A
)
 &rst
  ixpk= 665, nxpk= 15, iat= 729, 776, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HA           52 GLU  HN          2.80    (#    666:15  Unique         2.83, 2.84 A
)
 &rst
  ixpk= 666, nxpk= 15, iat= 778, 776, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HA           52 GLU  HN          3.50    (#    667:15  Unique         3.50, 3.52 A
)
 &rst
  ixpk= 667, nxpk= 15, iat= 763, 776, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 GLU  HG+          52 GLU  HN          2.80    (#    668:15  Unique         2.10, 2.67 A
)
 &rst
  ixpk= 668, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 783, 784,
 &end
#
#   51 GLU  HB-          52 GLU  HN          2.80    (#    669:15  Unique         3.05, 3.42 A
)
 &rst
  ixpk= 669, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 765, 766,
 &end
#
#   53 VAL  MGX          52 GLU  HN          4.50    (#    670:15  Unique         4.06, 6.04 A
)
 &rst
  ixpk= 670, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#  109 LEU  HN          110 GLU  HN          2.80    (#    671:15  Unique         2.79, 2.81 A
)
 &rst
  ixpk= 671, nxpk= 15, iat=1608,1627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 VAL  HN          110 GLU  HN          2.80    (#    672:15  Unique         2.64, 2.76 A
)
 &rst
  ixpk= 672, nxpk= 15, iat=1642,1627, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  108 SER  HB-         110 GLU  HN          2.80    (#    673:15  Unique         2.77, 3.14 A
)
 &rst
  ixpk= 673, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1601,1602,
 &end
#
#    0 AMB  15-2:674    110 GLU  HN          2.80    (#    674:15  Single Ambig
)
 &rst
  ixpk= 674, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1629,1601,1602,
 &end
#
#  110 GLU  HG+         110 GLU  HN          4.50    (#    675:15  Unique         2.25, 3.19 A
)
 &rst
  ixpk= 675, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1634,1635,
 &end
#
#  110 GLU  HB-         110 GLU  HN          2.80    (#    676:15  Unique         2.08, 2.92 A
)
 &rst
  ixpk= 676, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1631,1632,
 &end
#
#  109 LEU  HB+         110 GLU  HN          3.50    (#    677:15  Unique         2.76, 3.34 A
)
 &rst
  ixpk= 677, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1612,1613,
 &end
#
#  109 LEU  HB-         110 GLU  HN          3.50    (#    678:15  Unique         2.76, 3.34 A
)
 &rst
  ixpk= 678, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1612,1613,
 &end
#
#  111 VAL  MGY         110 GLU  HN          4.50    (#    679:15  Unique         4.40, 6.39 A
)
 &rst
  ixpk= 679, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#   22 ALA  HN           23 LYS  HN          3.50    (#    680:15  Unique         2.86, 2.97 A
)
 &rst
  ixpk= 680, nxpk= 15, iat= 348, 358, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 THR  HN           23 LYS  HN          2.80    (#    681:15  Unique         2.70, 2.74 A
)
 &rst
  ixpk= 681, nxpk= 15, iat= 380, 358, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 LYS  HA           23 LYS  HN          2.80    (#    682:15  Unique         2.86, 2.87 A
)
 &rst
  ixpk= 682, nxpk= 15, iat= 360, 358, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   22 ALA  HA           23 LYS  HN          4.50    (#    683:15  Unique         3.61, 3.62 A
)
 &rst
  ixpk= 683, nxpk= 15, iat= 350, 358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:684     23 LYS  HN          3.50    (#    684:15  Single Ambig
)
 &rst
  ixpk= 684, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 308, 323, 324,
 &end
#
#   23 LYS  HB+          23 LYS  HN          2.80    (#    685:15  Unique         2.52, 3.17 A
)
 &rst
  ixpk= 685, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#   23 LYS  HB-          23 LYS  HN          2.80    (#    686:15  Unique         2.52, 3.17 A
)
 &rst
  ixpk= 686, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 362, 363,
 &end
#
#   22 ALA  MB           23 LYS  HN          3.50    (#    687:15  Unique         2.67, 3.55 A
)
 &rst
  ixpk= 687, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 352, 353, 354,
 &end
#
#    0 AMB  15-2:688     23 LYS  HN          5.50    (#    688:15  Single Ambig
)
 &rst
  ixpk= 688, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1863,1864,1865,1867,1868,1869, 469, 470,
 &end
#
#   32 VAL  MGY          23 LYS  HN          3.50    (#    689:15  Unique         2.48, 4.22 A
)
 &rst
  ixpk= 689, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   32 VAL  MGX          23 LYS  HN          3.50    (#    690:15  Unique         2.48, 4.22 A
)
 &rst
  ixpk= 690, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#   33 THR  HN           34 SER  HN          4.50    (#    691:15  Unique         3.83, 3.97 A
)
 &rst
  ixpk= 691, nxpk= 15, iat= 504, 518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 SER  HA           34 SER  HN          3.50    (#    692:15  Unique         2.93, 2.95 A
)
 &rst
  ixpk= 692, nxpk= 15, iat= 520, 518, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 THR  HA           34 SER  HN          2.80    (#    694:15  Unique         2.04, 2.12 A
)
 &rst
  ixpk= 694, nxpk= 15, iat= 506, 518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 SER  HB+          34 SER  HN          2.80    (#    695:15  Unique         2.32, 3.21 A
)
 &rst
  ixpk= 695, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 522, 523,
 &end
#
#   33 THR  MG2          34 SER  HN          2.80    (#    696:15  Unique         2.94, 3.70 A
)
 &rst
  ixpk= 696, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 510, 511, 512,
 &end
#
#   37 LEU  HN           38 GLU  HN          2.80    (#    697:15  Unique         2.59, 2.75 A
)
 &rst
  ixpk= 697, nxpk= 15, iat= 547, 566, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   10 ARG  HA           38 GLU  HN          4.50    (#    699:15  Unique         3.18, 3.46 A
)
 &rst
  ixpk= 699, nxpk= 15, iat= 169, 566, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 GLU  HA           38 GLU  HN          3.50    (#    700:15  Unique         2.87, 2.91 A
)
 &rst
  ixpk= 700, nxpk= 15, iat= 568, 566, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 LEU  HA           38 GLU  HN          3.50    (#    701:15  Unique         3.47, 3.50 A
)
 &rst
  ixpk= 701, nxpk= 15, iat= 549, 566, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 GLY  HA-          38 GLU  HN          3.50    (#    702:15  Unique         2.94, 3.65 A
)
 &rst
  ixpk= 702, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#   38 GLU  HG+          38 GLU  HN          4.50    (#    703:15  Unique         3.37, 4.26 A
)
 &rst
  ixpk= 703, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 573, 574,
 &end
#
#   38 GLU  HB+          38 GLU  HN          3.50    (#    704:15  Unique         2.74, 3.24 A
)
 &rst
  ixpk= 704, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 570, 571,
 &end
#
#   38 GLU  HB-          38 GLU  HN          2.80    (#    705:15  Unique         2.74, 3.24 A
)
 &rst
  ixpk= 705, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 570, 571,
 &end
#
#   37 LEU  HB-          38 GLU  HN          3.50    (#    706:15  Unique         2.88, 3.37 A
)
 &rst
  ixpk= 706, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 551, 552,
 &end
#
#   79 LEU  HN           80 CYS  HN          3.50    (#    707:15  Unique         1.92, 2.48 A
)
 &rst
  ixpk= 707, nxpk= 15, iat=1161,1180, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 GLY  HN           80 CYS  HN          3.50    (#    708:15  Unique         1.92, 2.39 A
)
 &rst
  ixpk= 708, nxpk= 15, iat=1191,1180, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 CYS  HB+          80 CYS  HN          3.50    (#    710:15  Unique         2.39, 3.04 A
)
 &rst
  ixpk= 710, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#  129 LYS  HA          129 LYS  HN          2.80    (#    711:15  Unique         2.86, 2.87 A
)
 &rst
  ixpk= 711, nxpk= 15, iat=1952,1950, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  128 ALA  HA          129 LYS  HN          3.50    (#    712:15  Unique         3.51, 3.52 A
)
 &rst
  ixpk= 712, nxpk= 15, iat=1942,1950, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  129 LYS  HB+         129 LYS  HN          2.80    (#    713:15  Unique         2.28, 2.93 A
)
 &rst
  ixpk= 713, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1954,1955,
 &end
#
#  129 LYS  HD+         129 LYS  HN          4.50    (#    714:15  Unique         3.64, 4.29 A
)
 &rst
  ixpk= 714, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1960,1961,
 &end
#
#  128 ALA  MB          129 LYS  HN          2.80    (#    715:15  Unique         2.98, 3.71 A
)
 &rst
  ixpk= 715, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1944,1945,1946,
 &end
#
#    0 AMB  15-2:716    129 LYS  HN          4.50    (#    716:15  Single Ambig
)
 &rst
  ixpk= 716, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1978,1979,1980,1927,1928,1929,1407,1408,1409,
 &end
#
#   50 MET  HN           49 MET  HN          3.50    (#    717:15  Unique         2.56, 2.74 A
)
 &rst
  ixpk= 717, nxpk= 15, iat= 744, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HN           49 MET  HN          3.50    (#    718:15  Unique         2.52, 2.67 A
)
 &rst
  ixpk= 718, nxpk= 15, iat= 717, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HA           49 MET  HN          3.50    (#    719:15  Unique         2.81, 2.83 A
)
 &rst
  ixpk= 719, nxpk= 15, iat= 729, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   48 ALA  HA           49 MET  HN          3.50    (#    720:15  Unique         3.51, 3.54 A
)
 &rst
  ixpk= 720, nxpk= 15, iat= 719, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  HA           49 MET  HN          3.50    (#    721:15  Unique         3.37, 3.47 A
)
 &rst
  ixpk= 721, nxpk= 15, iat= 690, 727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   49 MET  HG+          49 MET  HN          2.80    (#    722:15  Unique         2.14, 3.17 A
)
 &rst
  ixpk= 722, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 734, 735,
 &end
#
#   49 MET  HB-          49 MET  HN          2.80    (#    723:15  Unique         2.06, 2.96 A
)
 &rst
  ixpk= 723, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 731, 732,
 &end
#
#    0 AMB  15-2:724     49 MET  HN          3.50    (#    724:15  Single Ambig
)
 &rst
  ixpk= 724, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 738, 739, 740, 702,
 &end
#
#   49 MET  HB+          49 MET  HN          3.50    (#    725:15  Unique         2.06, 2.96 A
)
 &rst
  ixpk= 725, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 731, 732,
 &end
#
#   48 ALA  MB           49 MET  HN          2.80    (#    726:15  Unique         2.58, 3.46 A
)
 &rst
  ixpk= 726, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 721, 722, 723,
 &end
#
#   45 THR  MG2          49 MET  HN          4.50    (#    727:15  Unique         4.16, 5.06 A
)
 &rst
  ixpk= 727, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 680, 681, 682,
 &end
#
#    5 MET  HN           75 VAL  HN          4.50    (#    728:15  Unique         3.73, 4.14 A
)
 &rst
  ixpk= 728, nxpk= 15, iat=  81,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 ASP  HN           75 VAL  HN          2.80    (#    729:15  Unique         1.94, 2.32 A
)
 &rst
  ixpk= 729, nxpk= 15, iat=1087,1099, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:730     75 VAL  HN          3.50    (#    730:15  Single Ambig
)
 &rst
  ixpk= 730, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  67,1089,
 &end
#
#   75 VAL  HA           75 VAL  HN          3.50    (#    731:15  Unique         2.97, 2.99 A
)
 &rst
  ixpk= 731, nxpk= 15, iat=1101,1099, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 TYR  HA           75 VAL  HN          4.50    (#    732:15  Unique         3.63, 3.79 A
)
 &rst
  ixpk= 732, nxpk= 15, iat=1068,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 ASP  HB+          75 VAL  HN          3.50    (#    733:15  Unique         2.43, 3.26 A
)
 &rst
  ixpk= 733, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1091,1092,
 &end
#
#    0 AMB  15-2:734     75 VAL  HN          2.80    (#    734:15  Single Ambig
)
 &rst
  ixpk= 734, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1091,1092,1070,1071,
 &end
#
#   75 VAL  HB           75 VAL  HN          4.50    (#    735:15  Unique         2.60, 3.33 A
)
 &rst
  ixpk= 735, nxpk= 15, iat=1103,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:736     75 VAL  HN          3.50    (#    736:15  Single Ambig
)
 &rst
  ixpk= 736, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  47,  48,  69,1398,
 &end
#
#   75 VAL  MGX          75 VAL  HN          2.80    (#    737:15  Unique         2.19, 3.83 A
)
 &rst
  ixpk= 737, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   75 VAL  MGY          75 VAL  HN          3.50    (#    738:15  Unique         2.19, 3.83 A
)
 &rst
  ixpk= 738, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  15-2:740    121 GLU  HN          4.50    (#    740:15  Single Ambig
)
 &rst
  ixpk= 740, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1857,1873,
 &end
#
#  120 LYS  HN          121 GLU  HN          3.50    (#    741:15  Unique         2.56, 2.68 A
)
 &rst
  ixpk= 741, nxpk= 15, iat=1796,1818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HA          121 GLU  HN          2.80    (#    742:15  Unique         2.78, 2.81 A
)
 &rst
  ixpk= 742, nxpk= 15, iat=1820,1818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LYS  HA          121 GLU  HN          3.50    (#    743:15  Unique         3.56, 3.58 A
)
 &rst
  ixpk= 743, nxpk= 15, iat=1798,1818, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 GLU  HG+         121 GLU  HN          3.50    (#    744:15  Unique         2.45, 3.98 A
)
 &rst
  ixpk= 744, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1825,1826,
 &end
#
#  121 GLU  HB+         121 GLU  HN          2.80    (#    745:15  Unique         1.95, 2.53 A
)
 &rst
  ixpk= 745, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1822,1823,
 &end
#
#  120 LYS  HB+         121 GLU  HN          2.80    (#    746:15  Unique         2.42, 3.21 A
)
 &rst
  ixpk= 746, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1800,1801,
 &end
#
#  120 LYS  HB-         121 GLU  HN          3.50    (#    747:15  Unique         2.42, 3.21 A
)
 &rst
  ixpk= 747, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1800,1801,
 &end
#
#  121 GLU  HG-         121 GLU  HN          4.50    (#    748:15  Unique         2.45, 3.98 A
)
 &rst
  ixpk= 748, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1825,1826,
 &end
#
#   34 SER  HA           35 CYS  HN          2.80    (#    749:15  Unique         2.26, 2.35 A
)
 &rst
  ixpk= 749, nxpk= 15, iat= 520, 529, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 VAL  HA           35 CYS  HN          2.80    (#    750:15  Unique         2.55, 2.74 A
)
 &rst
  ixpk= 750, nxpk= 15, iat= 120, 529, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 SER  HB-          35 CYS  HN          3.50    (#    751:15  Unique         2.38, 3.49 A
)
 &rst
  ixpk= 751, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 522, 523,
 &end
#
#  107 GLN  HG+         106 GLY  HN          3.50    (#    752:15  Unique         3.42, 4.43 A
)
 &rst
  ixpk= 752, nxpk= 15, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1587,1588,
 &end
#
#  107 GLN  HN          106 GLY  HN          2.80    (#    753:15  Unique         2.00, 2.29 A
)
 &rst
  ixpk= 753, nxpk= 15, iat=1580,1573, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:755      0 AMB  15-1:755    2.80    (#    755:15  Double Ambig
)
 &rst
  ixpk= 755, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1575,1576, 522, 523,
 igr2=1573, 529,
 &end
#
#    0 AMB  15-2:756      0 AMB  15-1:756    4.50    (#    756:15  Double Ambig
)
 &rst
  ixpk= 756, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 102, 103,1565,1566,
 igr2= 529,1573,
 &end
#
#  105 ASP  HA          106 GLY  HN          2.80    (#    757:15  Unique         2.13, 2.21 A
)
 &rst
  ixpk= 757, nxpk= 15, iat=1563,1573, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   41 ARG  HN           40 SER  HN          4.50    (#    758:15  Unique         4.17, 4.28 A
)
 &rst
  ixpk= 758, nxpk= 15, iat= 603, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 SER  HA           40 SER  HN          3.50    (#    760:15  Unique         2.84, 2.89 A
)
 &rst
  ixpk= 760, nxpk= 15, iat= 594, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 SER  HA           40 SER  HN          2.80    (#    761:15  Unique         2.06, 2.25 A
)
 &rst
  ixpk= 761, nxpk= 15, iat= 583, 592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   40 SER  HB+          40 SER  HN          3.50    (#    762:15  Unique         2.66, 3.35 A
)
 &rst
  ixpk= 762, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 596, 597,
 &end
#
#   39 SER  HB+          40 SER  HN          2.80    (#    763:15  Unique         2.54, 3.28 A
)
 &rst
  ixpk= 763, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 585, 586,
 &end
#
#    0 AMB  15-2:764     40 SER  HN          3.50    (#    764:15  Single Ambig
)
 &rst
  ixpk= 764, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 585, 586, 917, 918,
 &end
#
#  104 PRO  HA          107 GLN  HE2+        3.50    (#    766:15  Unique         3.58, 4.38 A
)
 &rst
  ixpk= 766, nxpk= 15, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1592,1593,
 &end
#
#  107 GLN  HG+         107 GLN  HE2+        3.50    (#    767:15  Unique         2.42, 3.08 A
)
 &rst
  ixpk= 767, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1587,1588,
 igr2=1592,1593,
 &end
#
#  107 GLN  HG-         107 GLN  HE2+        3.50    (#    768:15  Unique         2.42, 3.08 A
)
 &rst
  ixpk= 768, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1587,1588,
 igr2=1592,1593,
 &end
#
#  111 VAL  MGX         107 GLN  HE2+        4.50    (#    769:15  Unique         3.96, 6.01 A
)
 &rst
  ixpk= 769, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1592,1593,
 &end
#
#  104 PRO  HA          107 GLN  HE2-        4.50    (#    771:15  Unique         3.58, 4.38 A
)
 &rst
  ixpk= 771, nxpk= 15, iat=1557,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1592,1593,
 &end
#
#  107 GLN  HG+         107 GLN  HE2-        3.50    (#    772:15  Unique         2.42, 3.08 A
)
 &rst
  ixpk= 772, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1587,1588,
 igr2=1592,1593,
 &end
#
#  107 GLN  HG-         107 GLN  HE2-        3.50    (#    773:15  Unique         2.42, 3.08 A
)
 &rst
  ixpk= 773, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1587,1588,
 igr2=1592,1593,
 &end
#
#  111 VAL  MGX         107 GLN  HE2-        4.50    (#    774:15  Unique         3.96, 6.01 A
)
 &rst
  ixpk= 774, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1592,1593,
 &end
#
#  107 GLN  HN          108 SER  HN          4.50    (#    775:15  Unique         4.48, 4.51 A
)
 &rst
  ixpk= 775, nxpk= 15, iat=1580,1597, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:777    108 SER  HN          2.80    (#    777:15  Single Ambig
)
 &rst
  ixpk= 777, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1601,1602,1599,
 &end
#
#  108 SER  HB+         108 SER  HN          2.80    (#    778:15  Unique         2.31, 2.93 A
)
 &rst
  ixpk= 778, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1601,1602,
 &end
#
#  107 GLN  HB+         108 SER  HN          2.80    (#    779:15  Unique         1.98, 2.57 A
)
 &rst
  ixpk= 779, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1584,1585,
 &end
#
#  107 GLN  HB-         108 SER  HN          2.80    (#    780:15  Unique         1.98, 2.57 A
)
 &rst
  ixpk= 780, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1584,1585,
 &end
#
#  111 VAL  MGY         108 SER  HN          3.50    (#    781:15  Unique         3.07, 4.29 A
)
 &rst
  ixpk= 781, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  111 VAL  MGX         108 SER  HN          4.50    (#    782:15  Unique         3.07, 4.29 A
)
 &rst
  ixpk= 782, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#   94 GLU  HA           95 ILE  HN          4.50    (#    783:15  Unique         3.52, 3.55 A
)
 &rst
  ixpk= 783, nxpk= 15, iat=1381,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 ILE  HG1-         95 ILE  HN          3.50    (#    784:15  Unique         3.02, 3.53 A
)
 &rst
  ixpk= 784, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#   94 GLU  HN           95 ILE  HN          3.50    (#    785:15  Unique         2.70, 2.77 A
)
 &rst
  ixpk= 785, nxpk= 15, iat=1379,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 VAL  HA           95 ILE  HN          3.50    (#    786:15  Unique         2.35, 2.49 A
)
 &rst
  ixpk= 786, nxpk= 15, iat=1101,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ILE  HA           95 ILE  HN          3.50    (#    787:15  Unique         2.98, 3.00 A
)
 &rst
  ixpk= 787, nxpk= 15, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLU  HB+          95 ILE  HN          2.80    (#    788:15  Unique         2.74, 3.37 A
)
 &rst
  ixpk= 788, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1383,1384,
 &end
#
#   94 GLU  HB-          95 ILE  HN          3.50    (#    789:15  Unique         2.74, 3.37 A
)
 &rst
  ixpk= 789, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1383,1384,
 &end
#
#   95 ILE  HB           95 ILE  HN          2.80    (#    790:15  Unique         2.53, 2.59 A
)
 &rst
  ixpk= 790, nxpk= 15, iat=1398,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:791     95 ILE  HN          3.50    (#    791:15  Single Ambig
)
 &rst
  ixpk= 791, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1404,1405,1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:792     95 ILE  HN          3.50    (#    792:15  Single Ambig
)
 &rst
  ixpk= 792, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1105,1106,1107,1109,1110,1111,1400,1401,1402,1407,
      1408,1409,
 &end
#
#    0 AMB  15-2:793     24 THR  HN          2.80    (#    793:15  Single Ambig
)
 &rst
  ixpk= 793, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 394, 358,
 &end
#
#   21 PHE  HA           24 THR  HN          3.50    (#    796:15  Unique         3.52, 3.54 A
)
 &rst
  ixpk= 796, nxpk= 15, iat= 330, 380, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:797     24 THR  HN          2.80    (#    797:15  Single Ambig
)
 &rst
  ixpk= 797, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 384, 382,
 &end
#
#    0 AMB  15-2:798      0 AMB  15-1:798    2.80    (#    798:15  Double Ambig
)
 &rst
  ixpk= 798, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 365, 366,1366,1367,
 igr2= 380,1374,1375,
 &end
#
#   23 LYS  HG-          24 THR  HN          3.50    (#    799:15  Unique         2.40, 2.70 A
)
 &rst
  ixpk= 799, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 365, 366,
 &end
#
#    0 AMB  15-2:800     24 THR  HN          3.50    (#    800:15  Single Ambig
)
 &rst
  ixpk= 800, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 386, 387, 388,1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  15-2:801     24 THR  HN          4.50    (#    801:15  Single Ambig
)
 &rst
  ixpk= 801, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 494, 495, 496, 498, 499, 500, 403, 404, 405, 407,
       408, 409, 824, 825,1863,1864,1865,1867,1868,1869,
      
 &end
#
#    0 AMB  15-2:802      0 AMB  15-1:802    4.50    (#    802:15  Double Ambig
)
 &rst
  ixpk= 802, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 413,1308,
 igr2= 380,1374,1375,
 &end
#
#   69 ASN  HB+          69 ASN  HD2-        3.50    (#    803:15  Unique         2.88, 3.65 A
)
 &rst
  ixpk= 803, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1022,1023,
 igr2=1027,1028,
 &end
#
#   93 GLN  HG-          93 GLN  HE2-        2.80    (#    804:15  Unique         2.21, 3.24 A
)
 &rst
  ixpk= 804, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1369,1370,
 igr2=1374,1375,
 &end
#
#   69 ASN  HB+          69 ASN  HD2+        4.50    (#    806:15  Unique         2.88, 3.65 A
)
 &rst
  ixpk= 806, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1022,1023,
 igr2=1027,1028,
 &end
#
#    0 AMB  15-2:807      0 AMB  15-1:807    4.50    (#    807:15  Double Ambig
)
 &rst
  ixpk= 807, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1058,1059,1022,1023,
 igr2=1027,1028,1027,1028,
 &end
#
#   71 ASP  HB-          69 ASN  HD2+        4.50    (#    808:15  Unique         3.58, 5.02 A
)
 &rst
  ixpk= 808, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1046,1047,
 igr2=1027,1028,
 &end
#
#    0 AMB  15-2:809     69 ASN  HD2-        3.50    (#    809:15  Single Ambig
)
 &rst
  ixpk= 809, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1058,1059,1022,1023,
 igr2=1027,1028,
 &end
#
#   93 GLN  HG+          93 GLN  HE2+        3.50    (#    812:15  Unique         2.21, 3.24 A
)
 &rst
  ixpk= 812, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1374,1375,
 &end
#
#   93 GLN  HG-          93 GLN  HE2+        3.50    (#    813:15  Unique         2.21, 3.24 A
)
 &rst
  ixpk= 813, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1374,1375,
 &end
#
#   70 ALA  MB           93 GLN  HE2+        3.50    (#    814:15  Unique         2.64, 4.00 A
)
 &rst
  ixpk= 814, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1374,1375,
 &end
#
#   93 GLN  HG+          93 GLN  HE2-        3.50    (#    815:15  Unique         2.21, 3.24 A
)
 &rst
  ixpk= 815, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1369,1370,
 igr2=1374,1375,
 &end
#
#   70 ALA  MB           93 GLN  HE2-        3.50    (#    816:15  Unique         2.64, 4.00 A
)
 &rst
  ixpk= 816, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1036,1037,1038,
 igr2=1374,1375,
 &end
#
#   71 ASP  HA           93 GLN  HE2+        4.50    (#    817:15  Unique         2.75, 4.18 A
)
 &rst
  ixpk= 817, nxpk= 15, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1374,1375,
 &end
#
#   11 ASN  HN           10 ARG  HN          3.50    (#    819:15  Unique         1.89, 2.38 A
)
 &rst
  ixpk= 819, nxpk= 15, iat= 191, 167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 ARG  HB-          10 ARG  HN          3.50    (#    821:15  Unique         2.65, 3.52 A
)
 &rst
  ixpk= 821, nxpk= 15, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 171, 172,
 &end
#
#   10 ARG  HG+          10 ARG  HN          3.50    (#    822:15  Unique         2.13, 2.82 A
)
 &rst
  ixpk= 822, nxpk= 15, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 174, 175,
 &end
#
#   85 ASN  HB+          85 ASN  HD2-        3.50    (#    824:15  Unique         2.37, 3.44 A
)
 &rst
  ixpk= 824, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1236,1237,
 igr2=1241,1242,
 &end
#
#   85 ASN  HB+          85 ASN  HD2+        4.50    (#    826:15  Unique         2.37, 3.44 A
)
 &rst
  ixpk= 826, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1236,1237,
 igr2=1241,1242,
 &end
#
#   38 GLU  HA           39 SER  HN          3.50    (#    828:15  Unique         2.31, 2.39 A
)
 &rst
  ixpk= 828, nxpk= 15, iat= 568, 581, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 SER  HA           39 SER  HN          3.50    (#    829:15  Unique         2.90, 2.95 A
)
 &rst
  ixpk= 829, nxpk= 15, iat= 583, 581, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 SER  HB+          39 SER  HN          4.50    (#    830:15  Unique         2.63, 3.29 A
)
 &rst
  ixpk= 830, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 585, 586,
 &end
#
#   39 SER  HB-          39 SER  HN          3.50    (#    831:15  Unique         2.63, 3.29 A
)
 &rst
  ixpk= 831, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 585, 586,
 &end
#
#    0 AMB  15-2:832     39 SER  HN          3.50    (#    832:15  Single Ambig
)
 &rst
  ixpk= 832, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 573, 574, 570, 571,
 &end
#
#   38 GLU  HB-          39 SER  HN          3.50    (#    833:15  Unique         2.63, 3.63 A
)
 &rst
  ixpk= 833, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 570, 571,
 &end
#
#   84 VAL  HN           83 GLY  HN          3.50    (#    836:15  Unique         2.45, 2.77 A
)
 &rst
  ixpk= 836, nxpk= 15, iat=1216,1209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 CYS  HA           83 GLY  HN          2.80    (#    837:15  Unique         2.24, 2.75 A
)
 &rst
  ixpk= 837, nxpk= 15, iat=1200,1209, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 GLY  HA+          83 GLY  HN          3.50    (#    838:15  Unique         2.27, 2.59 A
)
 &rst
  ixpk= 838, nxpk= 15, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1211,1212,
 &end
#
#   83 GLY  HA-          83 GLY  HN          3.50    (#    839:15  Unique         2.27, 2.59 A
)
 &rst
  ixpk= 839, nxpk= 15, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1211,1212,
 &end
#
#  125 ASN  HB+         125 ASN  HD2-        3.50    (#    842:15  Unique         2.13, 3.30 A
)
 &rst
  ixpk= 842, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1892,1893,
 igr2=1897,1898,
 &end
#
#  125 ASN  HB+         125 ASN  HD2+        3.50    (#    844:15  Unique         2.13, 3.30 A
)
 &rst
  ixpk= 844, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1892,1893,
 igr2=1897,1898,
 &end
#
#  121 GLU  HG-         125 ASN  HD2+        4.50    (#    845:15  Unique         2.61, 4.75 A
)
 &rst
  ixpk= 845, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1825,1826,
 igr2=1897,1898,
 &end
#
#  122 ARG  HA          125 ASN  HD2-        4.50    (#    846:15  Unique         2.78, 4.37 A
)
 &rst
  ixpk= 846, nxpk= 15, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1897,1898,
 &end
#
#   82 CYS  HA          100 GLN  HE2-        4.50    (#    849:15  Unique         2.09, 3.63 A
)
 &rst
  ixpk= 849, nxpk= 15, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1496,1497,
 &end
#
#  100 GLN  HG-         100 GLN  HE2-        2.80    (#    850:15  Unique         2.29, 3.46 A
)
 &rst
  ixpk= 850, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1491,1492,
 igr2=1496,1497,
 &end
#
#  100 GLN  HG-         100 GLN  HE2+        4.50    (#    855:15  Unique         2.29, 3.46 A
)
 &rst
  ixpk= 855, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1491,1492,
 igr2=1496,1497,
 &end
#
#  130 ILE  HA          130 ILE  HN          2.80    (#    857:15  Unique         2.89, 2.90 A
)
 &rst
  ixpk= 857, nxpk= 15, iat=1974,1972, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:858    130 ILE  HN          3.50    (#    858:15  Single Ambig
)
 &rst
  ixpk= 858, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1952,1993,
 &end
#
#  127 ILE  HA          130 ILE  HN          3.50    (#    859:15  Unique         3.39, 3.44 A
)
 &rst
  ixpk= 859, nxpk= 15, iat=1923,1972, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:860    130 ILE  HN          2.80    (#    860:15  Single Ambig
)
 &rst
  ixpk= 860, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1954,1955,1976,
 &end
#
#  130 ILE  HG1-        130 ILE  HN          2.80    (#    861:15  Unique         1.86, 2.43 A
)
 &rst
  ixpk= 861, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#  130 ILE  HG1+        130 ILE  HN          2.80    (#    862:15  Unique         1.86, 2.43 A
)
 &rst
  ixpk= 862, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1982,1983,
 &end
#
#  130 ILE  QG2         130 ILE  HN          2.80    (#    863:15  Unique         2.55, 3.39 A
)
 &rst
  ixpk= 863, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1978,1979,1980,
 &end
#
#    0 AMB  15-2:864    130 ILE  HN          3.50    (#    864:15  Single Ambig
)
 &rst
  ixpk= 864, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  15-2:866     28 GLY  HN          2.80    (#    866:15  Single Ambig
)
 &rst
  ixpk= 866, nxpk= 15, iat=  -1, 430, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 422, 432, 433,
 &end
#
#   28 GLY  HA-          28 GLY  HN          3.50    (#    867:15  Unique         2.49, 2.76 A
)
 &rst
  ixpk= 867, nxpk= 15, iat=  -1, 430, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 432, 433,
 &end
#
#   27 ALA  MB           28 GLY  HN          4.50    (#    868:15  Unique         3.39, 4.09 A
)
 &rst
  ixpk= 868, nxpk= 15, iat=  -1, 430, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 424, 425, 426,
 &end
#
#   30 ILE  HA           30 ILE  HN          3.50    (#    869:15  Unique         2.91, 2.94 A
)
 &rst
  ixpk= 869, nxpk= 15, iat= 461, 459, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 LYS  HA           30 ILE  HN          3.50    (#    870:15  Unique         3.44, 3.47 A
)
 &rst
  ixpk= 870, nxpk= 15, iat= 439, 459, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 GLY  HA+          30 ILE  HN          4.50    (#    871:15  Unique         4.46, 4.80 A
)
 &rst
  ixpk= 871, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 432, 433,
 &end
#
#    0 AMB  15-2:872     30 ILE  HN          3.50    (#    872:15  Single Ambig
)
 &rst
  ixpk= 872, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=  15,  16,  17, 441, 442,
 &end
#
#    0 AMB  15-2:873     30 ILE  HN          2.80    (#    873:15  Single Ambig
)
 &rst
  ixpk= 873, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 447, 448, 463,
 &end
#
#   30 ILE  HG1-         30 ILE  HN          2.80    (#    874:15  Unique         2.66, 2.95 A
)
 &rst
  ixpk= 874, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 469, 470,
 &end
#
#   30 ILE  HG1+         30 ILE  HN          2.80    (#    875:15  Unique         2.66, 2.95 A
)
 &rst
  ixpk= 875, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 469, 470,
 &end
#
#   30 ILE  QG2          30 ILE  HN          3.50    (#    876:15  Unique         2.70, 3.98 A
)
 &rst
  ixpk= 876, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 465, 466, 467,
 &end
#
#   58 SER  HN           59 GLY  HN          3.50    (#    877:15  Unique         2.82, 2.94 A
)
 &rst
  ixpk= 877, nxpk= 15, iat= 864, 875, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HN           59 GLY  HN          3.50    (#    878:15  Unique         2.74, 2.81 A
)
 &rst
  ixpk= 878, nxpk= 15, iat= 882, 875, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLY  HA+          59 GLY  HN          2.80    (#    880:15  Unique         2.25, 2.56 A
)
 &rst
  ixpk= 880, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 877, 878,
 &end
#
#   58 SER  HA           59 GLY  HN          4.50    (#    881:15  Unique         3.55, 3.58 A
)
 &rst
  ixpk= 881, nxpk= 15, iat= 866, 875, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLY  HA-          59 GLY  HN          2.80    (#    882:15  Unique         2.25, 2.56 A
)
 &rst
  ixpk= 882, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 877, 878,
 &end
#
#    0 AMB  15-2:884      0 AMB  15-1:884    3.50    (#    884:15  Double Ambig
)
 &rst
  ixpk= 884, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 886, 887, 889, 890,
 igr2= 894, 895, 894, 895,
 &end
#
#   60 GLN  HG-          60 GLN  HE2+        3.50    (#    885:15  Unique         2.20, 3.25 A
)
 &rst
  ixpk= 885, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 889, 890,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:886      0 AMB  15-1:886    3.50    (#    886:15  Double Ambig
)
 &rst
  ixpk= 886, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 313, 314, 886, 887,
 igr2= 894, 895, 894, 895,
 &end
#
#   16 GLN  HA           60 GLN  HE2-        3.50    (#    888:15  Unique         3.12, 3.51 A
)
 &rst
  ixpk= 888, nxpk= 15, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:889     60 GLN  HE2-        3.50    (#    889:15  Single Ambig
)
 &rst
  ixpk= 889, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 886, 887, 889, 890,
 igr2= 894, 895,
 &end
#
#   60 GLN  HG-          60 GLN  HE2-        3.50    (#    890:15  Unique         2.20, 3.25 A
)
 &rst
  ixpk= 890, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 889, 890,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:891     60 GLN  HE2-        3.50    (#    891:15  Single Ambig
)
 &rst
  ixpk= 891, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 313, 314, 886, 887,
 igr2= 894, 895,
 &end
#
#   19 GLU  HB+          60 GLN  HE2-        3.50    (#    892:15  Unique         1.65, 3.77 A
)
 &rst
  ixpk= 892, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 310, 311,
 igr2= 894, 895,
 &end
#
#   93 GLN  HN           92 THR  HN          2.80    (#    893:15  Unique         2.28, 2.53 A
)
 &rst
  ixpk= 893, nxpk= 15, iat=1362,1348, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:895     92 THR  HN          2.80    (#    895:15  Single Ambig
)
 &rst
  ixpk= 895, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1350,1352,
 &end
#
#   92 THR  MG2          92 THR  HN          3.50    (#    896:15  Unique         2.25, 3.37 A
)
 &rst
  ixpk= 896, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1354,1355,1356,
 &end
#
#   91 VAL  MGX          92 THR  HN          3.50    (#    897:15  Unique         2.87, 4.60 A
)
 &rst
  ixpk= 897, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   64 PRO  HD+          67 ASN  HD2+        3.50    (#    899:15  Unique         3.04, 5.05 A
)
 &rst
  ixpk= 899, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 937, 938,
 igr2= 993, 994,
 &end
#
#    0 AMB  15-2:900      0 AMB  15-1:900    2.80    (#    900:15  Double Ambig
)
 &rst
  ixpk= 900, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 988, 989, 988, 989,
 igr2= 993, 994, 993, 994,
 &end
#
#   64 PRO  HD+          67 ASN  HD2-        3.50    (#    902:15  Unique         3.04, 5.05 A
)
 &rst
  ixpk= 902, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 937, 938,
 igr2= 993, 994,
 &end
#
#    0 AMB  15-2:903     67 ASN  HD2-        3.50    (#    903:15  Single Ambig
)
 &rst
  ixpk= 903, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 988, 989, 988, 989,
 igr2= 993, 994,
 &end
#
#   64 PRO  HG+          67 ASN  HD2-        4.50    (#    904:15  Unique         2.57, 5.65 A
)
 &rst
  ixpk= 904, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 940, 941,
 igr2= 993, 994,
 &end
#
#   64 PRO  HG-          67 ASN  HD2-        4.50    (#    905:15  Unique         2.57, 5.65 A
)
 &rst
  ixpk= 905, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 940, 941,
 igr2= 993, 994,
 &end
#
#   70 ALA  HN           71 ASP  HN          3.50    (#    907:15  Unique         2.63, 2.81 A
)
 &rst
  ixpk= 907, nxpk= 15, iat=1032,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ASP  HN           71 ASP  HN          2.80    (#    908:15  Unique         2.80, 2.82 A
)
 &rst
  ixpk= 908, nxpk= 15, iat=1054,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 ASN  HA           71 ASP  HN          4.50    (#    909:15  Unique         3.59, 3.78 A
)
 &rst
  ixpk= 909, nxpk= 15, iat=1020,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 ASP  HA           71 ASP  HN          3.50    (#    910:15  Unique         2.81, 2.82 A
)
 &rst
  ixpk= 910, nxpk= 15, iat=1044,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 ASN  HB+          71 ASP  HN          4.50    (#    911:15  Unique         2.53, 3.48 A
)
 &rst
  ixpk= 911, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#   69 ASN  HB-          71 ASP  HN          4.50    (#    912:15  Unique         2.53, 3.48 A
)
 &rst
  ixpk= 912, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1022,1023,
 &end
#
#   71 ASP  HB+          71 ASP  HN          3.50    (#    913:15  Unique         2.44, 2.46 A
)
 &rst
  ixpk= 913, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1046,1047,
 &end
#
#   71 ASP  HB-          71 ASP  HN          2.80    (#    914:15  Unique         2.44, 2.46 A
)
 &rst
  ixpk= 914, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1046,1047,
 &end
#
#   70 ALA  HA           71 ASP  HN          4.50    (#    915:15  Unique         3.40, 3.44 A
)
 &rst
  ixpk= 915, nxpk= 15, iat=1034,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 ALA  MB           71 ASP  HN          3.50    (#    916:15  Unique         3.01, 3.93 A
)
 &rst
  ixpk= 916, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1036,1037,1038,
 &end
#
#   80 CYS  HN           81 GLY  HN          3.50    (#    917:15  Unique         1.92, 2.39 A
)
 &rst
  ixpk= 917, nxpk= 15, iat=1180,1191, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 GLY  HA+          81 GLY  HN          3.50    (#    919:15  Unique         2.25, 2.64 A
)
 &rst
  ixpk= 919, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1193,1194,
 &end
#
#   81 GLY  HA-          81 GLY  HN          2.80    (#    920:15  Unique         2.25, 2.64 A
)
 &rst
  ixpk= 920, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1193,1194,
 &end
#
#    0 AMB  15-2:922     61 THR  HN          2.80    (#    922:15  Single Ambig
)
 &rst
  ixpk= 922, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 901, 884,
 &end
#
#    0 AMB  15-2:923     61 THR  HN          2.80    (#    923:15  Single Ambig
)
 &rst
  ixpk= 923, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 886, 887, 889, 890,
 &end
#
#   60 GLN  HB-          61 THR  HN          3.50    (#    924:15  Unique         2.28, 3.50 A
)
 &rst
  ixpk= 924, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 886, 887,
 &end
#
#   61 THR  MG2          61 THR  HN          2.80    (#    925:15  Unique         2.93, 3.66 A
)
 &rst
  ixpk= 925, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 905, 906, 907,
 &end
#
#   61 THR  HB           61 THR  HN          4.50    (#    926:15  Unique         3.63, 3.84 A
)
 &rst
  ixpk= 926, nxpk= 15, iat= 903, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 GLN  HG-          61 THR  HN          4.50    (#    927:15  Unique         2.43, 3.56 A
)
 &rst
  ixpk= 927, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 889, 890,
 &end
#
#   11 ASN  HA           11 ASN  HD2+        4.50    (#    931:15  Unique         2.32, 4.34 A
)
 &rst
  ixpk= 931, nxpk= 15, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 200, 201,
 &end
#
#   34 SER  HB-          11 ASN  HD2+        3.50    (#    932:15  Unique         2.60, 4.65 A
)
 &rst
  ixpk= 932, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 522, 523,
 igr2= 200, 201,
 &end
#
#   90 TRP  HB-          91 VAL  HN          3.50    (#    933:15  Unique         2.69, 3.54 A
)
 &rst
  ixpk= 933, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1312,1313,
 &end
#
#   91 VAL  HB           91 VAL  HN          3.50    (#    934:15  Unique         2.14, 2.51 A
)
 &rst
  ixpk= 934, nxpk= 15, iat=1336,1332, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 THR  MG2          91 VAL  HN          3.50    (#    935:15  Unique         3.03, 4.75 A
)
 &rst
  ixpk= 935, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1354,1355,1356,
 &end
#
#   91 VAL  MGX          91 VAL  HN          2.80    (#    936:15  Unique         1.97, 3.80 A
)
 &rst
  ixpk= 936, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  MGY          91 VAL  HN          4.50    (#    937:15  Unique         1.97, 3.80 A
)
 &rst
  ixpk= 937, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   90 TRP  HN           91 VAL  HN          2.80    (#    938:15  Unique         2.64, 2.74 A
)
 &rst
  ixpk= 938, nxpk= 15, iat=1308,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  HA           91 VAL  HN          2.80    (#    939:15  Unique         2.82, 2.89 A
)
 &rst
  ixpk= 939, nxpk= 15, iat=1334,1332, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 VAL  HN           54 GLY  HN          2.80    (#    940:15  Unique         2.11, 2.17 A
)
 &rst
  ixpk= 940, nxpk= 15, iat= 791, 807, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   54 GLY  HA+          54 GLY  HN          2.80    (#    942:15  Unique         2.36, 2.70 A
)
 &rst
  ixpk= 942, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 809, 810,
 &end
#
#    0 AMB  15-2:943      0 AMB  15-1:943    2.80    (#    943:15  Double Ambig
)
 &rst
  ixpk= 943, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 809, 810, 522, 523,
 igr2= 807, 200, 201,
 &end
#
#    0 AMB  15-2:944      0 AMB  15-1:944    3.50    (#    944:15  Double Ambig
)
 &rst
  ixpk= 944, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 269, 270, 765, 766, 765, 766,
 igr2= 200, 201, 807,
 &end
#
#    0 AMB  15-2:945     54 GLY  HN          3.50    (#    945:15  Single Ambig
)
 &rst
  ixpk= 945, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1= 797, 798, 799, 801, 802, 803, 818,
 &end
#
#  118 GLN  HG+         118 GLN  HE2+        3.50    (#    947:15  Unique         2.20, 3.28 A
)
 &rst
  ixpk= 947, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1770,1771,
 igr2=1775,1776,
 &end
#
#  118 GLN  HG-         118 GLN  HE2+        3.50    (#    948:15  Unique         2.20, 3.28 A
)
 &rst
  ixpk= 948, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1770,1771,
 igr2=1775,1776,
 &end
#
#  114 THR  MG2         118 GLN  HE2+        3.50    (#    949:15  Unique         2.28, 3.90 A
)
 &rst
  ixpk= 949, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1708,1709,1710,
 igr2=1775,1776,
 &end
#
#  118 GLN  HG+         118 GLN  HE2-        3.50    (#    951:15  Unique         2.20, 3.28 A
)
 &rst
  ixpk= 951, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1770,1771,
 igr2=1775,1776,
 &end
#
#  118 GLN  HG-         118 GLN  HE2-        3.50    (#    952:15  Unique         2.20, 3.28 A
)
 &rst
  ixpk= 952, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1770,1771,
 igr2=1775,1776,
 &end
#
#  114 THR  MG2         118 GLN  HE2-        3.50    (#    953:15  Unique         2.28, 3.90 A
)
 &rst
  ixpk= 953, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1708,1709,1710,
 igr2=1775,1776,
 &end
#
#   54 GLY  HN           53 VAL  HN          2.80    (#    954:15  Unique         2.11, 2.17 A
)
 &rst
  ixpk= 954, nxpk= 15, iat= 807, 791, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HA           53 VAL  HN          4.50    (#    956:15  Unique         3.78, 3.87 A
)
 &rst
  ixpk= 956, nxpk= 15, iat= 763, 791, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 GLU  HB+          53 VAL  HN          2.80    (#    957:15  Unique         2.63, 3.37 A
)
 &rst
  ixpk= 957, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 780, 781,
 &end
#
#   52 GLU  HN           53 VAL  HN          2.80    (#    958:15  Unique         2.59, 2.66 A
)
 &rst
  ixpk= 958, nxpk= 15, iat= 776, 791, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   52 GLU  HA           53 VAL  HN          3.50    (#    959:15  Unique         3.51, 3.52 A
)
 &rst
  ixpk= 959, nxpk= 15, iat= 778, 791, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 VAL  HB           53 VAL  HN          3.50    (#    960:15  Unique         2.45, 2.74 A
)
 &rst
  ixpk= 960, nxpk= 15, iat= 795, 791, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 VAL  MGX          53 VAL  HN          2.80    (#    961:15  Unique         2.16, 3.79 A
)
 &rst
  ixpk= 961, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 797, 798, 799, 801, 802, 803,
 &end
#
#   62 SER  HA           16 GLN  HE2+        3.50    (#    964:15  Unique         2.03, 2.54 A
)
 &rst
  ixpk= 964, nxpk= 15, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 274, 275,
 &end
#
#   42 VAL  MGY          16 GLN  HE2+        3.50    (#    965:15  Unique         2.99, 5.50 A
)
 &rst
  ixpk= 965, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 274, 275,
 &end
#
#   25 LEU  HN           26 GLY  HN          2.80    (#    967:15  Unique         2.58, 2.61 A
)
 &rst
  ixpk= 967, nxpk= 15, iat= 394, 413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 ALA  HN           26 GLY  HN          2.80    (#    968:15  Unique         2.36, 2.43 A
)
 &rst
  ixpk= 968, nxpk= 15, iat= 420, 413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  15-2:969     26 GLY  HN          2.80    (#    969:15  Single Ambig
)
 &rst
  ixpk= 969, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 415, 416, 360,
 &end
#
#   22 ALA  HA           26 GLY  HN          3.50    (#    970:15  Unique         3.44, 3.49 A
)
 &rst
  ixpk= 970, nxpk= 15, iat= 350, 413, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 GLY  HA-          26 GLY  HN          2.80    (#    971:15  Unique         2.29, 2.68 A
)
 &rst
  ixpk= 971, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 415, 416,
 &end
#
#   25 LEU  HB+          26 GLY  HN          2.80    (#    972:15  Unique         2.39, 2.98 A
)
 &rst
  ixpk= 972, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 398, 399,
 &end
#
#    0 AMB  15-2:973      0 AMB  15-1:973    4.50    (#    973:15  Double Ambig
)
 &rst
  ixpk= 973, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 469, 470, 855, 856,
 igr2= 413, 321,
 &end
#
#    0 AMB  15-2:974     26 GLY  HN          3.50    (#    974:15  Single Ambig
)
 &rst
  ixpk= 974, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 403, 404, 405, 407, 408, 409,1863,1864,1865,1867,
      1868,1869, 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  15-2:975      0 AMB  15-1:975    2.80    (#    975:15  Double Ambig
)
 &rst
  ixpk= 975, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1934,1935,1936, 755, 756, 757, 472, 473, 474,
 igr2= 413, 321,
 &end
#
#    0 AMB  15-2:976     20 GLY  HN          3.50    (#    976:15  Single Ambig
)
 &rst
  ixpk= 976, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 894, 895, 328,
 &end
#
#   60 GLN  HE2-         20 GLY  HN          3.50    (#    977:15  Unique         2.61, 3.77 A
)
 &rst
  ixpk= 977, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 894, 895,
 &end
#
#   20 GLY  HA-          20 GLY  HN          2.80    (#    978:15  Unique         2.27, 2.56 A
)
 &rst
  ixpk= 978, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 323, 324,
 &end
#
#   19 GLU  HB+          20 GLY  HN          2.80    (#    979:15  Unique         2.41, 3.40 A
)
 &rst
  ixpk= 979, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 310, 311,
 &end
#
#    0 AMB  15-2:980     20 GLY  HN          4.50    (#    980:15  Single Ambig
)
 &rst
  ixpk= 980, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 300, 301, 302, 820, 821, 822,
 &end
#
#  116 ARG  HN          117 GLY  HN          3.50    (#    981:15  Unique         2.82, 2.84 A
)
 &rst
  ixpk= 981, nxpk= 15, iat=1732,1756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 GLY  HA+         117 GLY  HN          2.80    (#    982:15  Unique         2.31, 2.59 A
)
 &rst
  ixpk= 982, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1758,1759,
 &end
#
#  117 GLY  HA-         117 GLY  HN          2.80    (#    983:15  Unique         2.31, 2.59 A
)
 &rst
  ixpk= 983, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1758,1759,
 &end
#
#  116 ARG  HB+         117 GLY  HN          2.80    (#    984:15  Unique         2.49, 3.26 A
)
 &rst
  ixpk= 984, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1736,1737,
 &end
#
#    0 AMB  15-2:985    117 GLY  HN          3.50    (#    985:15  Single Ambig
)
 &rst
  ixpk= 985, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1736,1737,1739,1740,
 &end
#
#   36 GLY  HA+          36 GLY  HN          3.50    (#    986:15  Unique         2.54, 2.81 A
)
 &rst
  ixpk= 986, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#   35 CYS  HA           36 GLY  HN          3.50    (#    987:15  Unique         2.41, 2.62 A
)
 &rst
  ixpk= 987, nxpk= 15, iat= 531, 540, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 PRO  HA           36 GLY  HN          3.50    (#    988:15  Unique         2.31, 2.82 A
)
 &rst
  ixpk= 988, nxpk= 15, iat= 946, 540, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 GLY  HA-          36 GLY  HN          3.50    (#    989:15  Unique         2.54, 2.81 A
)
 &rst
  ixpk= 989, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#   35 CYS  HB+          36 GLY  HN          3.50    (#    990:15  Unique         2.20, 3.04 A
)
 &rst
  ixpk= 990, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 533, 534,
 &end
#
#   35 CYS  HB-          36 GLY  HN          3.50    (#    991:15  Unique         2.20, 3.04 A
)
 &rst
  ixpk= 991, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 533, 534,
 &end
#
#    1 MET  HB-           1 MET  HN          4.50    (#    992:15  Unique         2.38, 3.10 A
)
 &rst
  ixpk= 992, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=   8,   9,
 &end
#
#    1 MET  HG+           1 MET  HN          5.50    (#    993:15  Unique         4.00, 4.59 A
)
 &rst
  ixpk= 993, nxpk= 15, iat=  -1,   2, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  11,  12,
 &end
#
#  130 ILE  QD1           2 LYS  HN          5.50    (#    996:15  Unique         5.05, 6.37 A
)
 &rst
  ixpk= 996, nxpk= 15, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1985,1986,1987,
 &end
#
#    3 LYS  HN            2 LYS  HN          4.50    (#    998:15  Unique         3.73, 4.27 A
)
 &rst
  ixpk= 998, nxpk= 15, iat=  43,  21, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 VAL  HN            3 LYS  HN          5.50    (#    999:15  Unique         3.93, 4.25 A
)
 &rst
  ixpk= 999, nxpk= 15, iat=  65,  43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    2 LYS  HN            3 LYS  HN          5.50    (#   1000:15  Unique         3.73, 4.27 A
)
 &rst
  ixpk= 1000, nxpk= 15, iat=  21,  43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 VAL  HN            3 LYS  HN          5.50    (#   1001:15  Unique         3.44, 3.95 A
)
 &rst
  ixpk= 1001, nxpk= 15, iat=1099,  43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 VAL  HA            3 LYS  HN          5.50    (#   1002:15  Unique         4.61, 4.99 A
)
 &rst
  ixpk= 1002, nxpk= 15, iat=  67,  43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 TYR  HA            3 LYS  HN          5.50    (#   1003:15  Unique         3.87, 4.05 A
)
 &rst
  ixpk= 1003, nxpk= 15, iat=1068,  43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 LYS  HE+           3 LYS  HN          5.50    (#   1004:15  Unique         4.08, 5.84 A
)
 &rst
  ixpk= 1004, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  56,  57,
 &end
#
#   75 VAL  MGX           3 LYS  HN          4.50    (#   1005:15  Unique         3.24, 6.07 A
)
 &rst
  ixpk= 1005, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  15-2:1006     3 LYS  HN          5.50    (#   1006:15  Single Ambig
)
 &rst
  ixpk= 1006, nxpk= 15, iat=  -1,  43, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#    3 LYS  HN            4 VAL  HN          5.50    (#   1007:15  Unique         3.93, 4.25 A
)
 &rst
  ixpk= 1007, nxpk= 15, iat=  43,  65, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 TYR  HD            4 VAL  HN          5.50    (#   1008:15  Unique         3.57, 6.05 A
)
 &rst
  ixpk= 1008, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1074,1083,
 &end
#
#    0 AMB  15-2:1009     4 VAL  HN          5.50    (#   1009:15  Single Ambig
)
 &rst
  ixpk= 1009, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 492,1103,
 &end
#
#    0 AMB  15-2:1010     4 VAL  HN          4.50    (#   1010:15  Single Ambig
)
 &rst
  ixpk= 1010, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 469, 470, 494, 495, 496, 498, 499, 500,
 &end
#
#   30 ILE  QG2           4 VAL  HN          4.50    (#   1011:15  Unique         4.92, 5.74 A
)
 &rst
  ixpk= 1011, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 465, 466, 467,
 &end
#
#    0 AMB  15-2:1012     4 VAL  HN          5.50    (#   1012:15  Single Ambig
)
 &rst
  ixpk= 1012, nxpk= 15, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 494, 495, 496, 498, 499, 500,  85,  86,
 &end
#
#   40 SER  HN           41 ARG  HN          4.50    (#   1016:15  Unique         4.17, 4.28 A
)
 &rst
  ixpk= 1016, nxpk= 15, iat= 592, 603, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1017    41 ARG  HN          5.50    (#   1017:15  Single Ambig
)
 &rst
  ixpk= 1017, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 917, 918, 585, 586,
 &end
#
#   41 ARG  HD+          41 ARG  HN          5.50    (#   1018:15  Unique         2.20, 4.38 A
)
 &rst
  ixpk= 1018, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 613, 614,
 &end
#
#   41 ARG  HB+          41 ARG  HN          4.50    (#   1019:15  Unique         2.27, 3.05 A
)
 &rst
  ixpk= 1019, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 607, 608,
 &end
#
#   41 ARG  HB-          41 ARG  HN          5.50    (#   1020:15  Unique         2.27, 3.05 A
)
 &rst
  ixpk= 1020, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 607, 608,
 &end
#
#   41 ARG  HG-          41 ARG  HN          4.50    (#   1021:15  Unique         2.25, 3.02 A
)
 &rst
  ixpk= 1021, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 610, 611,
 &end
#
#   31 ALA  HN            3 LYS  HN          5.50    (#   1022:15  Unique         4.69, 4.78 A
)
 &rst
  ixpk= 1022, nxpk= 15, iat= 478,  43, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    4 VAL  HN            5 MET  HN          4.50    (#   1023:15  Unique         4.21, 4.47 A
)
 &rst
  ixpk= 1023, nxpk= 15, iat=  65,  81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ILE  HN            5 MET  HN          4.50    (#   1024:15  Unique         3.17, 3.47 A
)
 &rst
  ixpk= 1024, nxpk= 15, iat=1131,  81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN            5 MET  HN          5.50    (#   1025:15  Unique         4.28, 4.39 A
)
 &rst
  ixpk= 1025, nxpk= 15, iat=  98,  81, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 VAL  HN            5 MET  HN          4.50    (#   1026:15  Unique         3.73, 4.14 A
)
 &rst
  ixpk= 1026, nxpk= 15, iat=1099,  81, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 TYR  HB+           5 MET  HN          5.50    (#   1028:15  Unique         3.20, 4.71 A
)
 &rst
  ixpk= 1028, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1070,1071,
 &end
#
#   73 TYR  HB-           5 MET  HN          5.50    (#   1029:15  Unique         3.20, 4.71 A
)
 &rst
  ixpk= 1029, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1070,1071,
 &end
#
#    0 AMB  15-2:1030     5 MET  HN          5.50    (#   1030:15  Single Ambig
)
 &rst
  ixpk= 1030, nxpk= 15, iat=  -1,  81, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 124, 125, 126, 128, 129, 130,1144,1145,1146,
 &end
#
#    6 PHE  HB-           6 PHE  HN          3.50    (#   1031:15  Unique         2.51, 3.24 A
)
 &rst
  ixpk= 1031, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 102, 103,
 &end
#
#   34 SER  HB-           6 PHE  HN          4.50    (#   1032:15  Unique         3.81, 4.45 A
)
 &rst
  ixpk= 1032, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 522, 523,
 &end
#
#    0 AMB  15-2:1034     6 PHE  HN          5.50    (#   1034:15  Single Ambig
)
 &rst
  ixpk= 1034, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 490,1152,
 &end
#
#    6 PHE  HE            6 PHE  HN          5.50    (#   1035:15  Unique         4.87, 5.81 A
)
 &rst
  ixpk= 1035, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 108, 112,
 &end
#
#   76 VAL  MGY           6 PHE  HN          5.50    (#   1036:15  Unique         4.78, 6.77 A
)
 &rst
  ixpk= 1036, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:1037     6 PHE  HN          4.50    (#   1037:15  Single Ambig
)
 &rst
  ixpk= 1037, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  85,  86, 494, 495, 496, 498, 499, 500,
 &end
#
#   79 LEU  MDX           6 PHE  HN          5.50    (#   1038:15  Unique         5.22, 6.86 A
)
 &rst
  ixpk= 1038, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#    0 AMB  15-2:1039     6 PHE  HN          5.50    (#   1039:15  Single Ambig
)
 &rst
  ixpk= 1039, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 124, 125, 126, 128, 129, 130,  92,  93,  94,
 &end
#
#    7 VAL  MGX           6 PHE  HN          5.50    (#   1040:15  Unique         3.78, 6.03 A
)
 &rst
  ixpk= 1040, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    4 VAL  MGY           6 PHE  HN          5.50    (#   1041:15  Unique         4.27, 6.22 A
)
 &rst
  ixpk= 1041, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    0 AMB  15-2:1042     6 PHE  HN          5.50    (#   1042:15  Single Ambig
)
 &rst
  ixpk= 1042, nxpk= 15, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 300, 301, 302,1141,1142,
 &end
#
#    7 VAL  HN            6 PHE  HN          5.50    (#   1043:15  Unique         4.01, 4.32 A
)
 &rst
  ixpk= 1043, nxpk= 15, iat= 118,  98, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LEU  HN            7 VAL  HN          4.50    (#   1044:15  Unique         3.52, 3.75 A
)
 &rst
  ixpk= 1044, nxpk= 15, iat=1161, 118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1045     7 VAL  HN          4.50    (#   1045:15  Single Ambig
)
 &rst
  ixpk= 1045, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1131, 134,
 &end
#
#    6 PHE  HN            7 VAL  HN          5.50    (#   1046:15  Unique         4.01, 4.32 A
)
 &rst
  ixpk= 1046, nxpk= 15, iat=  98, 118, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 PHE  HD            7 VAL  HN          5.50    (#   1047:15  Unique         4.15, 5.31 A
)
 &rst
  ixpk= 1047, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    0 AMB  15-2:1049     7 VAL  HN          4.50    (#   1049:15  Single Ambig
)
 &rst
  ixpk= 1049, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1154,1155, 253,
 &end
#
#   77 ILE  HB            7 VAL  HN          4.50    (#   1050:15  Unique         3.66, 4.02 A
)
 &rst
  ixpk= 1050, nxpk= 15, iat=1135, 118, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1051     7 VAL  HN          4.50    (#   1051:15  Single Ambig
)
 &rst
  ixpk= 1051, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1168,1121,1122,1123,1125,1126,1127,
 &end
#
#   77 ILE  QG2           7 VAL  HN          5.50    (#   1052:15  Unique         3.73, 4.95 A
)
 &rst
  ixpk= 1052, nxpk= 15, iat=  -1, 118, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1137,1138,1139,
 &end
#
#    7 VAL  MGX           8 CYS  HN          4.50    (#   1053:15  Unique         2.73, 4.52 A
)
 &rst
  ixpk= 1053, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  HB            8 CYS  HN          5.50    (#   1054:15  Unique         3.90, 4.20 A
)
 &rst
  ixpk= 1054, nxpk= 15, iat= 122, 134, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 GLY  HA-           8 CYS  HN          3.50    (#   1055:15  Unique         2.01, 2.74 A
)
 &rst
  ixpk= 1055, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#    0 AMB  15-2:1058     8 CYS  HN          5.50    (#   1058:15  Single Ambig
)
 &rst
  ixpk= 1058, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 547, 200, 201,
 &end
#
#   35 CYS  HN            8 CYS  HN          4.50    (#   1059:15  Unique         3.59, 3.71 A
)
 &rst
  ixpk= 1059, nxpk= 15, iat= 529, 134, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 ARG  HD-          10 ARG  HN          5.50    (#   1060:15  Unique         3.40, 4.86 A
)
 &rst
  ixpk= 1060, nxpk= 15, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 177, 178,
 &end
#
#    9 LYS  HA           10 ARG  HN          5.50    (#   1061:15  Unique         3.42, 3.51 A
)
 &rst
  ixpk= 1061, nxpk= 15, iat= 147, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 ASN  HA           10 ARG  HN          5.50    (#   1062:15  Unique         3.97, 4.18 A
)
 &rst
  ixpk= 1062, nxpk= 15, iat= 193, 167, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   10 ARG  HA           10 ARG  HN          4.50    (#   1063:15  Unique         2.85, 2.96 A
)
 &rst
  ixpk= 1063, nxpk= 15, iat= 169, 167, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 GLY  HA+          11 ASN  HN          5.50    (#   1065:15  Unique         2.36, 3.40 A
)
 &rst
  ixpk= 1065, nxpk= 15, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 542, 543,
 &end
#
#   36 GLY  HA-          11 ASN  HN          4.50    (#   1066:15  Unique         2.36, 3.40 A
)
 &rst
  ixpk= 1066, nxpk= 15, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 542, 543,
 &end
#
#   11 ASN  HB+          11 ASN  HN          4.50    (#   1067:15  Unique         2.23, 3.20 A
)
 &rst
  ixpk= 1067, nxpk= 15, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 195, 196,
 &end
#
#   11 ASN  HB-          11 ASN  HN          3.50    (#   1068:15  Unique         2.23, 3.20 A
)
 &rst
  ixpk= 1068, nxpk= 15, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 195, 196,
 &end
#
#   10 ARG  HB-          11 ASN  HN          4.50    (#   1069:15  Unique         3.15, 4.24 A
)
 &rst
  ixpk= 1069, nxpk= 15, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 171, 172,
 &end
#
#   10 ARG  HG+          11 ASN  HN          4.50    (#   1070:15  Unique         3.05, 3.92 A
)
 &rst
  ixpk= 1070, nxpk= 15, iat=  -1, 191, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 174, 175,
 &end
#
#   11 ASN  HA           12 SER  HN          4.50    (#   1071:15  Unique         2.66, 3.21 A
)
 &rst
  ixpk= 1071, nxpk= 15, iat= 193, 205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 SER  HB+          12 SER  HN          4.50    (#   1072:15  Unique         2.40, 3.20 A
)
 &rst
  ixpk= 1072, nxpk= 15, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 209, 210,
 &end
#
#   12 SER  HA           12 SER  HN          5.50    (#   1073:15  Unique         2.51, 2.78 A
)
 &rst
  ixpk= 1073, nxpk= 15, iat= 207, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1075    15 SER  HN          4.50    (#   1075:15  Single Ambig
)
 &rst
  ixpk= 1075, nxpk= 15, iat=  -1, 251, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 253, 229,
 &end
#
#   14 ARG  HB+          15 SER  HN          5.50    (#   1076:15  Unique         2.16, 2.90 A
)
 &rst
  ixpk= 1076, nxpk= 15, iat=  -1, 251, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 231, 232,
 &end
#
#   14 ARG  HB-          15 SER  HN          5.50    (#   1077:15  Unique         2.16, 2.90 A
)
 &rst
  ixpk= 1077, nxpk= 15, iat=  -1, 251, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 231, 232,
 &end
#
#   18 ALA  HN           16 GLN  HN          5.50    (#   1078:15  Unique         3.98, 4.20 A
)
 &rst
  ixpk= 1078, nxpk= 15, iat= 296, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1079    16 GLN  HN          5.50    (#   1079:15  Single Ambig
)
 &rst
  ixpk= 1079, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 306, 200, 201,
 &end
#
#   11 ASN  HA           16 GLN  HN          5.50    (#   1080:15  Unique         3.85, 4.10 A
)
 &rst
  ixpk= 1080, nxpk= 15, iat= 193, 262, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 MET  HG+          16 GLN  HN          5.50    (#   1081:15  Unique         4.50, 5.66 A
)
 &rst
  ixpk= 1081, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 286, 287,
 &end
#
#   17 MET  HB+          16 GLN  HN          5.50    (#   1082:15  Unique         4.51, 5.59 A
)
 &rst
  ixpk= 1082, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 283, 284,
 &end
#
#    0 AMB  15-2:1083    16 GLN  HN          5.50    (#   1083:15  Single Ambig
)
 &rst
  ixpk= 1083, nxpk= 15, iat=  -1, 262, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 633, 634, 635, 637, 638, 639,1170,1171,1172,1174,
      1175,1176,
 &end
#
#   18 ALA  MB           17 MET  HN          4.50    (#   1085:15  Unique         4.79, 5.47 A
)
 &rst
  ixpk= 1085, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 300, 301, 302,
 &end
#
#    0 AMB  15-2:1086    17 MET  HN          5.50    (#   1086:15  Single Ambig
)
 &rst
  ixpk= 1086, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 633, 634, 635, 637, 638, 639, 755, 756, 757,
 &end
#
#   57 ILE  HG1-         17 MET  HN          5.50    (#   1087:15  Unique         5.52, 6.21 A
)
 &rst
  ixpk= 1087, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 855, 856,
 &end
#
#    0 AMB  15-2:1088    17 MET  HN          4.50    (#   1088:15  Single Ambig
)
 &rst
  ixpk= 1088, nxpk= 15, iat=  -1, 279, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 692, 693, 694, 231, 232,
 &end
#
#   16 GLN  HA           17 MET  HN          4.50    (#   1089:15  Unique         3.55, 3.61 A
)
 &rst
  ixpk= 1089, nxpk= 15, iat= 264, 279, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1091   120 LYS  HN          5.50    (#   1091:15  Single Ambig
)
 &rst
  ixpk= 1091, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1732,1873,
 &end
#
#   21 PHE  HD           18 ALA  HN          5.50    (#   1092:15  Unique         4.12, 6.18 A
)
 &rst
  ixpk= 1092, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 336, 344,
 &end
#
#    0 AMB  15-2:1093    18 ALA  HN          5.50    (#   1093:15  Single Ambig
)
 &rst
  ixpk= 1093, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 106, 114, 110,
 &end
#
#   16 GLN  HN           18 ALA  HN          5.50    (#   1094:15  Unique         3.98, 4.20 A
)
 &rst
  ixpk= 1094, nxpk= 15, iat= 262, 296, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 GLN  HA           18 ALA  HN          5.50    (#   1095:15  Unique         4.46, 4.57 A
)
 &rst
  ixpk= 1095, nxpk= 15, iat= 264, 296, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1096    18 ALA  HN          4.50    (#   1096:15  Single Ambig
)
 &rst
  ixpk= 1096, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 286, 287, 332, 333,
 &end
#
#    0 AMB  15-2:1097    18 ALA  HN          5.50    (#   1097:15  Single Ambig
)
 &rst
  ixpk= 1097, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 231, 232, 692, 693, 694,
 &end
#
#   16 GLN  HB-          18 ALA  HN          5.50    (#   1098:15  Unique         5.00, 5.35 A
)
 &rst
  ixpk= 1098, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 266, 267,
 &end
#
#  123 VAL  MGY          18 ALA  HN          5.50    (#   1099:15  Unique         4.87, 6.58 A
)
 &rst
  ixpk= 1099, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#   79 LEU  MDX          18 ALA  HN          4.50    (#   1100:15  Unique         4.22, 5.74 A
)
 &rst
  ixpk= 1100, nxpk= 15, iat=  -1, 296, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#  119 VAL  MGX          19 GLU  HN          4.50    (#   1101:15  Unique         5.24, 6.81 A
)
 &rst
  ixpk= 1101, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1786,1787,1788,1790,1791,1792,
 &end
#
#    0 AMB  15-2:1102    19 GLU  HN          4.50    (#   1102:15  Single Ambig
)
 &rst
  ixpk= 1102, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 494, 495, 496, 498, 499, 500,1786,1787,1788,1790,
      1791,1792,
 &end
#
#    0 AMB  15-2:1103    19 GLU  HN          4.50    (#   1103:15  Single Ambig
)
 &rst
  ixpk= 1103, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 352, 353, 354, 269, 270,
 &end
#
#    0 AMB  15-2:1104    19 GLU  HN          4.50    (#   1104:15  Single Ambig
)
 &rst
  ixpk= 1104, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 283, 284, 889, 890,
 &end
#
#   20 GLY  HA-          19 GLU  HN          5.50    (#   1105:15  Unique         4.92, 5.16 A
)
 &rst
  ixpk= 1105, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 323, 324,
 &end
#
#    0 AMB  15-2:1106    19 GLU  HN          4.50    (#   1106:15  Single Ambig
)
 &rst
  ixpk= 1106, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 522, 523, 281,
 &end
#
#    0 AMB  15-2:1107    19 GLU  HN          3.50    (#   1107:15  Single Ambig
)
 &rst
  ixpk= 1107, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 522, 523, 298,
 &end
#
#   60 GLN  HE2-         19 GLU  HN          5.50    (#   1109:15  Unique         3.81, 4.94 A
)
 &rst
  ixpk= 1109, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 894, 895,
 &end
#
#    6 PHE  HD           19 GLU  HN          4.50    (#   1110:15  Unique         4.15, 5.24 A
)
 &rst
  ixpk= 1110, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#    6 PHE  HE           19 GLU  HN          5.50    (#   1111:15  Unique         4.85, 5.91 A
)
 &rst
  ixpk= 1111, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 108, 112,
 &end
#
#   17 MET  HN           19 GLU  HN          4.50    (#   1112:15  Unique         4.02, 4.10 A
)
 &rst
  ixpk= 1112, nxpk= 15, iat= 279, 306, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1113    19 GLU  HN          5.50    (#   1113:15  Single Ambig
)
 &rst
  ixpk= 1113, nxpk= 15, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 894, 895, 328,
 &end
#
#   22 ALA  HN           19 GLU  HN          5.50    (#   1114:15  Unique         4.55, 4.62 A
)
 &rst
  ixpk= 1114, nxpk= 15, iat= 348, 306, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1115    26 GLY  HN          4.50    (#   1115:15  Single Ambig
)
 &rst
  ixpk= 1115, nxpk= 15, iat=  -1, 413, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 469, 470,1863,1864,1865,1867,1868,1869,
 &end
#
#    0 AMB  15-2:1116    20 GLY  HN          5.50    (#   1116:15  Single Ambig
)
 &rst
  ixpk= 1116, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 889, 890, 886, 887,
 &end
#
#   21 PHE  HB-          20 GLY  HN          5.50    (#   1117:15  Unique         4.87, 5.67 A
)
 &rst
  ixpk= 1117, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 332, 333,
 &end
#
#    0 AMB  15-2:1118    20 GLY  HN          5.50    (#   1118:15  Single Ambig
)
 &rst
  ixpk= 1118, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 371, 372, 332, 333, 286, 287,
 &end
#
#   20 GLY  HA+          20 GLY  HN          2.80    (#   1119:15  Unique         2.27, 2.56 A
)
 &rst
  ixpk= 1119, nxpk= 15, iat=  -1, 321, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 323, 324,
 &end
#
#   17 MET  HN           20 GLY  HN          5.50    (#   1121:15  Unique         4.79, 4.89 A
)
 &rst
  ixpk= 1121, nxpk= 15, iat= 279, 321, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 ALA  HN           20 GLY  HN          4.50    (#   1122:15  Unique         4.19, 4.31 A
)
 &rst
  ixpk= 1122, nxpk= 15, iat= 348, 321, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HE           21 PHE  HN          5.50    (#   1123:15  Unique         4.62, 5.09 A
)
 &rst
  ixpk= 1123, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 338, 342,
 &end
#
#   22 ALA  HA           21 PHE  HN          5.50    (#   1124:15  Unique         5.23, 5.30 A
)
 &rst
  ixpk= 1124, nxpk= 15, iat= 350, 328, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 MET  HB+          21 PHE  HN          5.50    (#   1125:15  Unique         4.84, 5.48 A
)
 &rst
  ixpk= 1125, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 283, 284,
 &end
#
#    0 AMB  15-2:1126    21 PHE  HN          5.50    (#   1126:15  Single Ambig
)
 &rst
  ixpk= 1126, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 401, 266, 267, 492,
 &end
#
#    0 AMB  15-2:1127    21 PHE  HN          4.50    (#   1127:15  Single Ambig
)
 &rst
  ixpk= 1127, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1863,1864,1865,1867,1868,1869,1806,1807,
 &end
#
#   55 ILE  QD1          21 PHE  HN          4.50    (#   1128:15  Unique         4.41, 5.44 A
)
 &rst
  ixpk= 1128, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 827, 828, 829,
 &end
#
#    0 AMB  15-2:1129    21 PHE  HN          4.50    (#   1129:15  Single Ambig
)
 &rst
  ixpk= 1129, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 820, 821, 822, 300, 301, 302,
 &end
#
#    0 AMB  15-2:1130    22 ALA  HN          4.50    (#   1130:15  Single Ambig
)
 &rst
  ixpk= 1130, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 321, 413,
 &end
#
#   24 THR  HN           22 ALA  HN          5.50    (#   1131:15  Unique         4.35, 4.39 A
)
 &rst
  ixpk= 1131, nxpk= 15, iat= 380, 348, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 PHE  HD           22 ALA  HN          4.50    (#   1132:15  Unique         4.28, 5.02 A
)
 &rst
  ixpk= 1132, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 336, 344,
 &end
#
#    6 PHE  HE           22 ALA  HN          5.50    (#   1133:15  Unique         4.40, 5.41 A
)
 &rst
  ixpk= 1133, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 108, 112,
 &end
#
#    0 AMB  15-2:1134    22 ALA  HN          5.50    (#   1134:15  Single Ambig
)
 &rst
  ixpk= 1134, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 110, 106, 114,
 &end
#
#    0 AMB  15-2:1135    22 ALA  HN          5.50    (#   1135:15  Single Ambig
)
 &rst
  ixpk= 1135, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 384, 360, 415, 416,
 &end
#
#   18 ALA  HA           22 ALA  HN          4.50    (#   1136:15  Unique         3.58, 3.83 A
)
 &rst
  ixpk= 1136, nxpk= 15, iat= 298, 348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 GLY  HA-          22 ALA  HN          5.50    (#   1137:15  Unique         4.72, 4.93 A
)
 &rst
  ixpk= 1137, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 323, 324,
 &end
#
#    0 AMB  15-2:1138    22 ALA  HN          4.50    (#   1138:15  Single Ambig
)
 &rst
  ixpk= 1138, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 401, 492,
 &end
#
#   23 LYS  HB-          22 ALA  HN          5.50    (#   1139:15  Unique         5.32, 6.08 A
)
 &rst
  ixpk= 1139, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 362, 363,
 &end
#
#   23 LYS  HG-          22 ALA  HN          5.50    (#   1140:15  Unique         4.52, 5.45 A
)
 &rst
  ixpk= 1140, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 365, 366,
 &end
#
#   32 VAL  MGY          22 ALA  HN          4.50    (#   1141:15  Unique         4.07, 5.44 A
)
 &rst
  ixpk= 1141, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 494, 495, 496, 498, 499, 500,
 &end
#
#    0 AMB  15-2:1142    22 ALA  HN          5.50    (#   1142:15  Single Ambig
)
 &rst
  ixpk= 1142, nxpk= 15, iat=  -1, 348, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 300, 301, 302, 820, 821, 822,
 &end
#
#    0 AMB  15-2:1143    23 LYS  HN          5.50    (#   1143:15  Single Ambig
)
 &rst
  ixpk= 1143, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 820, 821, 822, 300, 301, 302,
 &end
#
#    0 AMB  15-2:1144    23 LYS  HN          5.50    (#   1144:15  Single Ambig
)
 &rst
  ixpk= 1144, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1934,1935,1936, 472, 473, 474, 755, 756, 757,
 &end
#
#   23 LYS  HG-          23 LYS  HN          3.50    (#   1145:15  Unique         2.13, 2.96 A
)
 &rst
  ixpk= 1145, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 365, 366,
 &end
#
#   23 LYS  HE+          23 LYS  HN          5.50    (#   1146:15  Unique         3.38, 4.74 A
)
 &rst
  ixpk= 1146, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 371, 372,
 &end
#
#   21 PHE  HB-          23 LYS  HN          5.50    (#   1147:15  Unique         5.16, 5.48 A
)
 &rst
  ixpk= 1147, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 332, 333,
 &end
#
#   20 GLY  HA-          23 LYS  HN          5.50    (#   1148:15  Unique         3.77, 4.55 A
)
 &rst
  ixpk= 1148, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 323, 324,
 &end
#
#   21 PHE  HA           23 LYS  HN          5.50    (#   1149:15  Unique         4.55, 4.59 A
)
 &rst
  ixpk= 1149, nxpk= 15, iat= 330, 358, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 PHE  HE           23 LYS  HN          5.50    (#   1151:15  Unique         5.15, 6.90 A
)
 &rst
  ixpk= 1151, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 108, 112,
 &end
#
#    0 AMB  15-2:1152    23 LYS  HN          5.50    (#   1152:15  Single Ambig
)
 &rst
  ixpk= 1152, nxpk= 15, iat=  -1, 358, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 413, 321,
 &end
#
#   22 ALA  HN           24 THR  HN          5.50    (#   1156:15  Unique         4.35, 4.39 A
)
 &rst
  ixpk= 1156, nxpk= 15, iat= 348, 380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1157     0 AMB  15-1:1157   4.50    (#   1157:15  Double Ambig
)
 &rst
  ixpk= 1157, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1295, 350,
 igr2=1374,1375, 380,
 &end
#
#   20 GLY  HA+          24 THR  HN          5.50    (#   1158:15  Unique         4.17, 4.86 A
)
 &rst
  ixpk= 1158, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 323, 324,
 &end
#
#    0 AMB  15-2:1159    24 THR  HN          5.50    (#   1159:15  Single Ambig
)
 &rst
  ixpk= 1159, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 371, 372, 332, 333,
 &end
#
#   21 PHE  HB-          24 THR  HN          5.50    (#   1160:15  Unique         5.34, 5.53 A
)
 &rst
  ixpk= 1160, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 332, 333,
 &end
#
#   55 ILE  QD1          24 THR  HN          5.50    (#   1161:15  Unique         4.25, 5.37 A
)
 &rst
  ixpk= 1161, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 827, 828, 829,
 &end
#
#   55 ILE  QG2          24 THR  HN          5.50    (#   1162:15  Unique         4.37, 5.35 A
)
 &rst
  ixpk= 1162, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 820, 821, 822,
 &end
#
#    0 AMB  15-2:1163    24 THR  HN          5.50    (#   1163:15  Single Ambig
)
 &rst
  ixpk= 1163, nxpk= 15, iat=  -1, 380, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 755, 756, 757,1934,1935,1936,
 &end
#
#   76 VAL  MGY          93 GLN  HE2-        5.50    (#   1165:15  Unique         4.63, 7.17 A
)
 &rst
  ixpk= 1165, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1374,1375,
 &end
#
#   55 ILE  QD1          25 LEU  HN          5.50    (#   1166:15  Unique         5.21, 6.03 A
)
 &rst
  ixpk= 1166, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 827, 828, 829,
 &end
#
#    0 AMB  15-2:1167    25 LEU  HN          4.50    (#   1167:15  Single Ambig
)
 &rst
  ixpk= 1167, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1934,1935,1936, 472, 473, 474,
 &end
#
#   26 GLY  HA-          25 LEU  HN          4.50    (#   1168:15  Unique         4.83, 5.11 A
)
 &rst
  ixpk= 1168, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 415, 416,
 &end
#
#   22 ALA  HA           25 LEU  HN          4.50    (#   1169:15  Unique         3.40, 3.45 A
)
 &rst
  ixpk= 1169, nxpk= 15, iat= 350, 394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 PHE  HB+          25 LEU  HN          5.50    (#   1170:15  Unique         4.68, 5.19 A
)
 &rst
  ixpk= 1170, nxpk= 15, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 332, 333,
 &end
#
#   27 ALA  HN           25 LEU  HN          4.50    (#   1173:15  Unique         4.09, 4.12 A
)
 &rst
  ixpk= 1173, nxpk= 15, iat= 420, 394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 THR  HN           26 GLY  HN          4.50    (#   1174:15  Unique         4.24, 4.32 A
)
 &rst
  ixpk= 1174, nxpk= 15, iat= 380, 413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 THR  MG2          27 ALA  HN          5.50    (#   1175:15  Unique         6.50, 6.97 A
)
 &rst
  ixpk= 1175, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 386, 387, 388,
 &end
#
#   30 ILE  HG1+         27 ALA  HN          5.50    (#   1176:15  Unique         3.81, 4.46 A
)
 &rst
  ixpk= 1176, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 469, 470,
 &end
#
#    0 AMB  15-2:1177    27 ALA  HN          4.50    (#   1177:15  Single Ambig
)
 &rst
  ixpk= 1177, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 472, 473, 474,1934,1935,1936,
 &end
#
#    0 AMB  15-2:1178    27 ALA  HN          4.50    (#   1178:15  Single Ambig
)
 &rst
  ixpk= 1178, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 494, 495, 496, 498, 499, 500, 403, 404, 405, 407,
       408, 409,
 &end
#
#   29 LYS  HD+          27 ALA  HN          5.50    (#   1179:15  Unique         5.43, 5.69 A
)
 &rst
  ixpk= 1179, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 447, 448,
 &end
#
#    0 AMB  15-2:1180    27 ALA  HN          5.50    (#   1180:15  Single Ambig
)
 &rst
  ixpk= 1180, nxpk= 15, iat=  -1, 420, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 492, 401, 441, 442,
 &end
#
#   22 ALA  HA           27 ALA  HN          5.50    (#   1182:15  Unique         5.31, 5.39 A
)
 &rst
  ixpk= 1182, nxpk= 15, iat= 350, 420, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 LYS  HN           27 ALA  HN          5.50    (#   1183:15  Unique         4.70, 4.78 A
)
 &rst
  ixpk= 1183, nxpk= 15, iat= 437, 420, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 GLY  HN           27 ALA  HN          4.50    (#   1184:15  Unique         4.44, 4.48 A
)
 &rst
  ixpk= 1184, nxpk= 15, iat= 430, 420, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   29 LYS  HN           28 GLY  HN          4.50    (#   1185:15  Unique         2.32, 2.43 A
)
 &rst
  ixpk= 1185, nxpk= 15, iat= 437, 430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 ILE  HN           28 GLY  HN          5.50    (#   1186:15  Unique         2.90, 2.98 A
)
 &rst
  ixpk= 1186, nxpk= 15, iat= 459, 430, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 ALA  HN           28 GLY  HN          5.50    (#   1187:15  Unique         4.44, 4.48 A
)
 &rst
  ixpk= 1187, nxpk= 15, iat= 420, 430, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   29 LYS  HA           28 GLY  HN          4.50    (#   1188:15  Unique         4.02, 4.48 A
)
 &rst
  ixpk= 1188, nxpk= 15, iat= 439, 430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    1 MET  ME           28 GLY  HN          5.50    (#   1191:15  Unique         3.03, 4.05 A
)
 &rst
  ixpk= 1191, nxpk= 15, iat=  -1, 430, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  15,  16,  17,
 &end
#
#    0 AMB  15-2:1192    28 GLY  HN          5.50    (#   1192:15  Single Ambig
)
 &rst
  ixpk= 1192, nxpk= 15, iat=  -1, 430, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 447, 448, 441, 442,
 &end
#
#   30 ILE  QG2          29 LYS  HN          4.50    (#   1193:15  Unique         3.71, 5.38 A
)
 &rst
  ixpk= 1193, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 465, 466, 467,
 &end
#
#   29 LYS  HE+          29 LYS  HN          5.50    (#   1194:15  Unique         4.23, 5.20 A
)
 &rst
  ixpk= 1194, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 450, 451,
 &end
#
#   26 GLY  HA-          29 LYS  HN          4.50    (#   1195:15  Unique         3.84, 4.26 A
)
 &rst
  ixpk= 1195, nxpk= 15, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 415, 416,
 &end
#
#   30 ILE  HA           29 LYS  HN          5.50    (#   1196:15  Unique         4.50, 4.55 A
)
 &rst
  ixpk= 1196, nxpk= 15, iat= 461, 437, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 ALA  HN           29 LYS  HN          5.50    (#   1197:15  Unique         4.70, 4.78 A
)
 &rst
  ixpk= 1197, nxpk= 15, iat= 420, 437, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 GLY  HA-          30 ILE  HN          4.50    (#   1198:15  Unique         3.86, 4.05 A
)
 &rst
  ixpk= 1198, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 415, 416,
 &end
#
#   28 GLY  HA-          30 ILE  HN          5.50    (#   1199:15  Unique         4.46, 4.80 A
)
 &rst
  ixpk= 1199, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 432, 433,
 &end
#
#   31 ALA  HA           30 ILE  HN          5.50    (#   1201:15  Unique         4.65, 4.74 A
)
 &rst
  ixpk= 1201, nxpk= 15, iat= 480, 459, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 ALA  HN           30 ILE  HN          5.50    (#   1202:15  Unique         4.31, 4.35 A
)
 &rst
  ixpk= 1202, nxpk= 15, iat= 478, 459, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 GLY  HN           30 ILE  HN          5.50    (#   1203:15  Unique         2.90, 2.98 A
)
 &rst
  ixpk= 1203, nxpk= 15, iat= 430, 459, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    1 MET  HG+          30 ILE  HN          5.50    (#   1204:15  Unique         4.06, 4.86 A
)
 &rst
  ixpk= 1204, nxpk= 15, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  11,  12,
 &end
#
#   30 ILE  HG1+         31 ALA  HN          4.50    (#   1205:15  Unique         2.96, 4.08 A
)
 &rst
  ixpk= 1205, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 469, 470,
 &end
#
#    0 AMB  15-2:1207    31 ALA  HN          5.50    (#   1207:15  Single Ambig
)
 &rst
  ixpk= 1207, nxpk= 15, iat=  -1, 478, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  23,   6,
 &end
#
#   32 VAL  HA           31 ALA  HN          5.50    (#   1208:15  Unique         4.57, 4.71 A
)
 &rst
  ixpk= 1208, nxpk= 15, iat= 490, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 ILE  HN           31 ALA  HN          5.50    (#   1209:15  Unique         4.31, 4.35 A
)
 &rst
  ixpk= 1209, nxpk= 15, iat= 459, 478, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    2 LYS  HN           31 ALA  HN          4.50    (#   1210:15  Unique         4.08, 4.59 A
)
 &rst
  ixpk= 1210, nxpk= 15, iat=  21, 478, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1212    32 VAL  HN          5.50    (#   1212:15  Single Ambig
)
 &rst
  ixpk= 1212, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  45, 461,
 &end
#
#   23 LYS  HA           32 VAL  HN          5.50    (#   1213:15  Unique         4.40, 4.55 A
)
 &rst
  ixpk= 1213, nxpk= 15, iat= 360, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 THR  HA           32 VAL  HN          5.50    (#   1214:15  Unique         5.10, 5.20 A
)
 &rst
  ixpk= 1214, nxpk= 15, iat= 506, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1216    32 VAL  HN          5.50    (#   1216:15  Single Ambig
)
 &rst
  ixpk= 1216, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 424, 425, 426,  50,  51,
 &end
#
#   30 ILE  QD1          32 VAL  HN          4.50    (#   1217:15  Unique         4.93, 5.86 A
)
 &rst
  ixpk= 1217, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 472, 473, 474,
 &end
#
#   34 SER  HN           33 THR  HN          4.50    (#   1219:15  Unique         3.83, 3.97 A
)
 &rst
  ixpk= 1219, nxpk= 15, iat= 518, 504, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HN           33 THR  HN          5.50    (#   1220:15  Unique         3.58, 3.65 A
)
 &rst
  ixpk= 1220, nxpk= 15, iat=  98, 504, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 PHE  HE           33 THR  HN          5.50    (#   1221:15  Unique         4.10, 6.19 A
)
 &rst
  ixpk= 1221, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 108, 112,
 &end
#
#    6 PHE  HD           33 THR  HN          5.50    (#   1222:15  Unique         3.25, 5.57 A
)
 &rst
  ixpk= 1222, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#    5 MET  HG+          33 THR  HN          5.50    (#   1223:15  Unique         3.98, 5.32 A
)
 &rst
  ixpk= 1223, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  88,  89,
 &end
#
#    0 AMB  15-2:1224    33 THR  HN          5.50    (#   1224:15  Single Ambig
)
 &rst
  ixpk= 1224, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  50,  51,1135,
 &end
#
#    4 VAL  MGX          33 THR  HN          5.50    (#   1225:15  Unique         3.19, 5.43 A
)
 &rst
  ixpk= 1225, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGY          33 THR  HN          5.50    (#   1226:15  Unique         3.19, 5.43 A
)
 &rst
  ixpk= 1226, nxpk= 15, iat=  -1, 504, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    5 MET  ME           34 SER  HN          5.50    (#   1227:15  Unique         5.41, 6.66 A
)
 &rst
  ixpk= 1227, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  92,  93,  94,
 &end
#
#   35 CYS  HB+          34 SER  HN          5.50    (#   1229:15  Unique         4.96, 6.19 A
)
 &rst
  ixpk= 1229, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 533, 534,
 &end
#
#   34 SER  HB-          34 SER  HN          4.50    (#   1230:15  Unique         2.32, 3.21 A
)
 &rst
  ixpk= 1230, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 522, 523,
 &end
#
#    5 MET  HA           34 SER  HN          5.50    (#   1231:15  Unique         4.88, 5.18 A
)
 &rst
  ixpk= 1231, nxpk= 15, iat=  83, 518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 PHE  HD           34 SER  HN          4.50    (#   1233:15  Unique         4.36, 6.41 A
)
 &rst
  ixpk= 1233, nxpk= 15, iat=  -1, 518, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 106, 114,
 &end
#
#    6 PHE  HN           35 CYS  HN          4.50    (#   1235:15  Unique         3.79, 3.97 A
)
 &rst
  ixpk= 1235, nxpk= 15, iat=  98, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 ASN  HD2-         35 CYS  HN          5.50    (#   1236:15  Unique         2.94, 3.98 A
)
 &rst
  ixpk= 1236, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 200, 201,
 &end
#
#   11 ASN  HD2+         35 CYS  HN          5.50    (#   1237:15  Unique         2.94, 3.98 A
)
 &rst
  ixpk= 1237, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 200, 201,
 &end
#
#  105 ASP  HN          106 GLY  HN          5.50    (#   1238:15  Unique         3.98, 4.16 A
)
 &rst
  ixpk= 1238, nxpk= 15, iat=1561,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 HIS  HD2         106 GLY  HN          5.50    (#   1239:15  Unique         4.27, 4.73 A
)
 &rst
  ixpk= 1239, nxpk= 15, iat= 656,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HZ          106 GLY  HN          5.50    (#   1240:15  Unique         2.76, 2.98 A
)
 &rst
  ixpk= 1240, nxpk= 15, iat=1670,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 HIS  HE1         106 GLY  HN          4.50    (#   1241:15  Unique         2.18, 2.32 A
)
 &rst
  ixpk= 1241, nxpk= 15, iat= 653,1573, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1242    35 CYS  HN          5.50    (#   1242:15  Single Ambig
)
 &rst
  ixpk= 1242, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  83, 946, 915,
 &end
#
#  105 ASP  HB+         106 GLY  HN          4.50    (#   1245:15  Unique         4.40, 4.51 A
)
 &rst
  ixpk= 1245, nxpk= 15, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1565,1566,
 &end
#
#   35 CYS  HB+          35 CYS  HN          4.50    (#   1246:15  Unique         2.68, 3.48 A
)
 &rst
  ixpk= 1246, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 533, 534,
 &end
#
#    0 AMB  15-2:1247   106 GLY  HN          5.50    (#   1247:15  Single Ambig
)
 &rst
  ixpk= 1247, nxpk= 15, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1587,1588,1584,1585,
 &end
#
#    0 AMB  15-2:1248    35 CYS  HN          4.50    (#   1248:15  Single Ambig
)
 &rst
  ixpk= 1248, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  88,  89, 122,
 &end
#
#    0 AMB  15-2:1249    35 CYS  HN          4.50    (#   1249:15  Single Ambig
)
 &rst
  ixpk= 1249, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 124, 125, 126, 128, 129, 130,  92,  93,  94,
 &end
#
#    7 VAL  MGX          35 CYS  HN          4.50    (#   1250:15  Unique         3.68, 5.27 A
)
 &rst
  ixpk= 1250, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#    7 VAL  MGY          36 GLY  HN          5.50    (#   1251:15  Unique         3.52, 5.88 A
)
 &rst
  ixpk= 1251, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   65 ILE  HB           36 GLY  HN          5.50    (#   1252:15  Unique         2.48, 2.83 A
)
 &rst
  ixpk= 1252, nxpk= 15, iat= 954, 540, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 ASN  HB+          36 GLY  HN          4.50    (#   1253:15  Unique         2.93, 3.94 A
)
 &rst
  ixpk= 1253, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 195, 196,
 &end
#
#   63 ASP  HB-          36 GLY  HN          5.50    (#   1254:15  Unique         4.62, 6.05 A
)
 &rst
  ixpk= 1254, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 928, 929,
 &end
#
#    0 AMB  15-2:1255    36 GLY  HN          5.50    (#   1255:15  Single Ambig
)
 &rst
  ixpk= 1255, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 952, 193,
 &end
#
#    0 AMB  15-2:1256    36 GLY  HN          5.50    (#   1256:15  Single Ambig
)
 &rst
  ixpk= 1256, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 200, 201, 547,
 &end
#
#    0 AMB  15-2:1257    36 GLY  HN          5.50    (#   1257:15  Single Ambig
)
 &rst
  ixpk= 1257, nxpk= 15, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 134, 581,
 &end
#
#   36 GLY  HN           37 LEU  HN          5.50    (#   1258:15  Unique         4.27, 4.33 A
)
 &rst
  ixpk= 1258, nxpk= 15, iat= 540, 547, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1259    37 LEU  HN          5.50    (#   1259:15  Single Ambig
)
 &rst
  ixpk= 1259, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 169, 120,
 &end
#
#    7 VAL  MGY          37 LEU  HN          5.50    (#   1260:15  Unique         3.27, 5.67 A
)
 &rst
  ixpk= 1260, nxpk= 15, iat=  -1, 547, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 124, 125, 126, 128, 129, 130,
 &end
#
#   80 CYS  HB-          80 CYS  HN          4.50    (#   1261:15  Unique         2.39, 3.04 A
)
 &rst
  ixpk= 1261, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#   37 LEU  MDX          38 GLU  HN          4.50    (#   1262:15  Unique         4.66, 5.88 A
)
 &rst
  ixpk= 1262, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   66 GLU  HG-          39 SER  HN          5.50    (#   1265:15  Unique         5.72, 6.51 A
)
 &rst
  ixpk= 1265, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 976, 977,
 &end
#
#    0 AMB  15-2:1266    39 SER  HN          5.50    (#   1266:15  Single Ambig
)
 &rst
  ixpk= 1266, nxpk= 15, iat=  -1, 581, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 937, 938, 596, 597,
 &end
#
#   64 PRO  HA           39 SER  HN          5.50    (#   1267:15  Unique         3.82, 4.13 A
)
 &rst
  ixpk= 1267, nxpk= 15, iat= 946, 581, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   63 ASP  HN           40 SER  HN          5.50    (#   1268:15  Unique         4.85, 5.17 A
)
 &rst
  ixpk= 1268, nxpk= 15, iat= 924, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1269    40 SER  HN          5.50    (#   1269:15  Single Ambig
)
 &rst
  ixpk= 1269, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 191, 627,
 &end
#
#   39 SER  HN           40 SER  HN          5.50    (#   1271:15  Unique         4.39, 4.51 A
)
 &rst
  ixpk= 1271, nxpk= 15, iat= 581, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   10 ARG  HA           40 SER  HN          5.50    (#   1272:15  Unique         4.16, 4.84 A
)
 &rst
  ixpk= 1272, nxpk= 15, iat= 169, 592, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1273    40 SER  HN          5.50    (#   1273:15  Single Ambig
)
 &rst
  ixpk= 1273, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 915, 946,
 &end
#
#   11 ASN  HB+          40 SER  HN          5.50    (#   1275:15  Unique         2.88, 4.09 A
)
 &rst
  ixpk= 1275, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 195, 196,
 &end
#
#   11 ASN  HB-          40 SER  HN          5.50    (#   1276:15  Unique         2.88, 4.09 A
)
 &rst
  ixpk= 1276, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 195, 196,
 &end
#
#    0 AMB  15-2:1277    40 SER  HN          5.50    (#   1277:15  Single Ambig
)
 &rst
  ixpk= 1277, nxpk= 15, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 171, 172, 570, 571,
 &end
#
#   61 THR  HB           42 VAL  HN          5.50    (#   1280:15  Unique         4.56, 5.19 A
)
 &rst
  ixpk= 1280, nxpk= 15, iat= 903, 627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 SER  HB-          42 VAL  HN          4.50    (#   1281:15  Unique         3.23, 4.41 A
)
 &rst
  ixpk= 1281, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 917, 918,
 &end
#
#    0 AMB  15-2:1282    42 VAL  HN          5.50    (#   1282:15  Single Ambig
)
 &rst
  ixpk= 1282, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 613, 614, 647, 648,
 &end
#
#    0 AMB  15-2:1283    42 VAL  HN          5.50    (#   1283:15  Single Ambig
)
 &rst
  ixpk= 1283, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 269, 270, 849,
 &end
#
#   41 ARG  HG+          42 VAL  HN          5.50    (#   1284:15  Unique         3.65, 4.51 A
)
 &rst
  ixpk= 1284, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 610, 611,
 &end
#
#   41 ARG  HG-          42 VAL  HN          5.50    (#   1285:15  Unique         3.65, 4.51 A
)
 &rst
  ixpk= 1285, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 610, 611,
 &end
#
#   46 ALA  MB           43 HIS  HN          4.50    (#   1286:15  Unique         3.48, 4.27 A
)
 &rst
  ixpk= 1286, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 692, 693, 694,
 &end
#
#    0 AMB  15-2:1287    43 HIS  HN          5.50    (#   1287:15  Single Ambig
)
 &rst
  ixpk= 1287, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 266, 267, 610, 611,
 &end
#
#   42 VAL  HB           43 HIS  HN          4.50    (#   1288:15  Unique         3.97, 4.07 A
)
 &rst
  ixpk= 1288, nxpk= 15, iat= 631, 643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLN  HG+          43 HIS  HN          5.50    (#   1289:15  Unique         3.59, 4.95 A
)
 &rst
  ixpk= 1289, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 269, 270,
 &end
#
#   12 SER  HB-          43 HIS  HN          4.50    (#   1291:15  Unique         2.35, 3.48 A
)
 &rst
  ixpk= 1291, nxpk= 15, iat=  -1, 643, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 209, 210,
 &end
#
#   43 HIS  HD2          43 HIS  HN          5.50    (#   1293:15  Unique         4.48, 4.64 A
)
 &rst
  ixpk= 1293, nxpk= 15, iat= 656, 643, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   46 ALA  HN           43 HIS  HN          5.50    (#   1294:15  Unique         4.57, 4.89 A
)
 &rst
  ixpk= 1294, nxpk= 15, iat= 688, 643, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 PRO  HA           45 THR  HN          5.50    (#   1295:15  Unique         3.57, 3.62 A
)
 &rst
  ixpk= 1295, nxpk= 15, iat= 670, 674, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   44 PRO  HD-          45 THR  HN          5.50    (#   1296:15  Unique         2.41, 3.23 A
)
 &rst
  ixpk= 1296, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 661, 662,
 &end
#
#   44 PRO  HB+          45 THR  HN          5.50    (#   1298:15  Unique         3.25, 3.74 A
)
 &rst
  ixpk= 1298, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 667, 668,
 &end
#
#   46 ALA  MB           45 THR  HN          4.50    (#   1299:15  Unique         4.75, 5.45 A
)
 &rst
  ixpk= 1299, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 692, 693, 694,
 &end
#
#   45 THR  MG2          45 THR  HN          4.50    (#   1300:15  Unique         3.93, 4.44 A
)
 &rst
  ixpk= 1300, nxpk= 15, iat=  -1, 674, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 680, 681, 682,
 &end
#
#    0 AMB  15-2:1301    46 ALA  HN          4.50    (#   1301:15  Single Ambig
)
 &rst
  ixpk= 1301, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 680, 681, 682,1554,1555,
 &end
#
#    0 AMB  15-2:1302    46 ALA  HN          5.50    (#   1302:15  Single Ambig
)
 &rst
  ixpk= 1302, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 708, 709, 858, 859, 860,
 &end
#
#    0 AMB  15-2:1303    46 ALA  HN          4.50    (#   1303:15  Single Ambig
)
 &rst
  ixpk= 1303, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 711, 712, 713, 633, 634, 635, 637, 638, 639,
 &end
#
#    0 AMB  15-2:1304    46 ALA  HN          5.50    (#   1304:15  Single Ambig
)
 &rst
  ixpk= 1304, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 855, 856, 704, 705, 706,
 &end
#
#   48 ALA  MB           46 ALA  HN          5.50    (#   1305:15  Unique         5.16, 6.09 A
)
 &rst
  ixpk= 1305, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 721, 722, 723,
 &end
#
#    0 AMB  15-2:1306    46 ALA  HN          5.50    (#   1306:15  Single Ambig
)
 &rst
  ixpk= 1306, nxpk= 15, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 731, 732, 286, 287,
 &end
#
#   44 PRO  HA           46 ALA  HN          4.50    (#   1307:15  Unique         3.75, 3.83 A
)
 &rst
  ixpk= 1307, nxpk= 15, iat= 670, 688, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 PHE  HZ           46 ALA  HN          5.50    (#   1309:15  Unique         4.21, 4.41 A
)
 &rst
  ixpk= 1309, nxpk= 15, iat=1670, 688, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   43 HIS  HN           46 ALA  HN          5.50    (#   1310:15  Unique         4.57, 4.89 A
)
 &rst
  ixpk= 1310, nxpk= 15, iat= 643, 688, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   45 THR  HN           47 ILE  HN          5.50    (#   1311:15  Unique         4.41, 4.46 A
)
 &rst
  ixpk= 1311, nxpk= 15, iat= 674, 698, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HE1          90 TRP  HN          5.50    (#   1312:15  Unique         4.27, 5.12 A
)
 &rst
  ixpk= 1312, nxpk= 15, iat=1318,1308, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   86 LEU  HB-          90 TRP  HN          4.50    (#   1313:15  Unique         4.05, 4.60 A
)
 &rst
  ixpk= 1313, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1250,1251,
 &end
#
#   47 ILE  QG2          47 ILE  HN          3.50    (#   1315:15  Unique         4.26, 4.41 A
)
 &rst
  ixpk= 1315, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 704, 705, 706,
 &end
#
#   91 VAL  MGY          90 TRP  HN          5.50    (#   1316:15  Unique         3.78, 6.16 A
)
 &rst
  ixpk= 1316, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   70 ALA  MB           72 ASP  HN          5.50    (#   1317:15  Unique         4.82, 5.16 A
)
 &rst
  ixpk= 1317, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#    0 AMB  15-2:1318    48 ALA  HN          4.50    (#   1318:15  Single Ambig
)
 &rst
  ixpk= 1318, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 708, 709, 858, 859, 860,
 &end
#
#   45 THR  MG2          48 ALA  HN          5.50    (#   1319:15  Unique         4.66, 5.34 A
)
 &rst
  ixpk= 1319, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 680, 681, 682,
 &end
#
#   51 GLU  HB+          48 ALA  HN          4.50    (#   1320:15  Unique         4.57, 5.48 A
)
 &rst
  ixpk= 1320, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 765, 766,
 &end
#
#    0 AMB  15-2:1321    48 ALA  HN          4.50    (#   1321:15  Single Ambig
)
 &rst
  ixpk= 1321, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 731, 732, 783, 784,
 &end
#
#   49 MET  HG+          48 ALA  HN          5.50    (#   1322:15  Unique         3.91, 5.40 A
)
 &rst
  ixpk= 1322, nxpk= 15, iat=  -1, 717, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 734, 735,
 &end
#
#   49 MET  HA           48 ALA  HN          5.50    (#   1324:15  Unique         5.16, 5.30 A
)
 &rst
  ixpk= 1324, nxpk= 15, iat= 729, 717, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 GLU  HN           48 ALA  HN          5.50    (#   1325:15  Unique         4.55, 4.63 A
)
 &rst
  ixpk= 1325, nxpk= 15, iat= 761, 717, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 GLU  HN           49 MET  HN          5.50    (#   1326:15  Unique         3.87, 4.00 A
)
 &rst
  ixpk= 1326, nxpk= 15, iat= 761, 727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 GLU  HN           49 MET  HN          5.50    (#   1327:15  Unique         4.87, 4.99 A
)
 &rst
  ixpk= 1327, nxpk= 15, iat= 776, 727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HD           49 MET  HN          5.50    (#   1328:15  Unique         4.59, 6.19 A
)
 &rst
  ixpk= 1328, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1666,1674,
 &end
#
#    0 AMB  15-2:1330    49 MET  HN          5.50    (#   1330:15  Single Ambig
)
 &rst
  ixpk= 1330, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 700, 678,1662,1663,
 &end
#
#    0 AMB  15-2:1331    49 MET  HN          5.50    (#   1331:15  Single Ambig
)
 &rst
  ixpk= 1331, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1662,1663,1742,1743,
 &end
#
#    0 AMB  15-2:1332    49 MET  HN          4.50    (#   1332:15  Single Ambig
)
 &rst
  ixpk= 1332, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 748, 749, 290, 291, 292,
 &end
#
#    0 AMB  15-2:1333    49 MET  HN          5.50    (#   1333:15  Single Ambig
)
 &rst
  ixpk= 1333, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
 igr1= 704, 705, 706,1617,1618,1619,1621,1622,1623, 855,
       856,
 &end
#
#  109 LEU  MDY          49 MET  HN          5.50    (#   1334:15  Unique         5.63, 7.77 A
)
 &rst
  ixpk= 1334, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  15-2:1335    49 MET  HN          5.50    (#   1335:15  Single Ambig
)
 &rst
  ixpk= 1335, nxpk= 15, iat=  -1, 727, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 858, 859, 860, 708, 709,
 &end
#
#    0 AMB  15-2:1336    50 MET  HN          4.50    (#   1336:15  Single Ambig
)
 &rst
  ixpk= 1336, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 858, 859, 860, 708, 709,
 &end
#
#   50 MET  ME           50 MET  HN          4.50    (#   1337:15  Unique         4.89, 5.70 A
)
 &rst
  ixpk= 1337, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 755, 756, 757,
 &end
#
#   57 ILE  HG1+         50 MET  HN          4.50    (#   1338:15  Unique         4.08, 4.73 A
)
 &rst
  ixpk= 1338, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 855, 856,
 &end
#
#   48 ALA  MB           50 MET  HN          5.50    (#   1339:15  Unique         5.11, 5.64 A
)
 &rst
  ixpk= 1339, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 721, 722, 723,
 &end
#
#   49 MET  HG+          50 MET  HN          4.50    (#   1340:15  Unique         3.87, 4.67 A
)
 &rst
  ixpk= 1340, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 734, 735,
 &end
#
#    0 AMB  15-2:1341    50 MET  HN          5.50    (#   1341:15  Single Ambig
)
 &rst
  ixpk= 1341, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1742,1743, 795,
 &end
#
#   17 MET  HG+          50 MET  HN          5.50    (#   1342:15  Unique         4.40, 5.33 A
)
 &rst
  ixpk= 1342, nxpk= 15, iat=  -1, 744, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 286, 287,
 &end
#
#   47 ILE  HA           50 MET  HN          4.50    (#   1343:15  Unique         3.36, 3.51 A
)
 &rst
  ixpk= 1343, nxpk= 15, iat= 700, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   48 ALA  HA           50 MET  HN          5.50    (#   1344:15  Unique         4.29, 4.45 A
)
 &rst
  ixpk= 1344, nxpk= 15, iat= 719, 744, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 GLU  HN           50 MET  HN          4.50    (#   1345:15  Unique         3.89, 4.03 A
)
 &rst
  ixpk= 1345, nxpk= 15, iat= 776, 744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 MET  HN           51 GLU  HN          4.50    (#   1347:15  Unique         3.87, 4.00 A
)
 &rst
  ixpk= 1347, nxpk= 15, iat= 727, 761, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 VAL  HN           51 GLU  HN          5.50    (#   1349:15  Unique         4.24, 4.33 A
)
 &rst
  ixpk= 1349, nxpk= 15, iat= 791, 761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 MET  HA           51 GLU  HN          5.50    (#   1350:15  Unique         4.17, 4.36 A
)
 &rst
  ixpk= 1350, nxpk= 15, iat= 729, 761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   47 ILE  HA           51 GLU  HN          5.50    (#   1352:15  Unique         4.04, 4.13 A
)
 &rst
  ixpk= 1352, nxpk= 15, iat= 700, 761, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1353    51 GLU  HN          4.50    (#   1353:15  Single Ambig
)
 &rst
  ixpk= 1353, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 783, 784, 837, 838,
 &end
#
#   48 ALA  MB           51 GLU  HN          4.50    (#   1354:15  Unique         5.29, 5.49 A
)
 &rst
  ixpk= 1354, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 721, 722, 723,
 &end
#
#   49 MET  HB+          51 GLU  HN          5.50    (#   1355:15  Unique         4.85, 5.18 A
)
 &rst
  ixpk= 1355, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#    0 AMB  15-2:1356    51 GLU  HN          5.50    (#   1356:15  Single Ambig
)
 &rst
  ixpk= 1356, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 797, 798, 799, 801, 802, 803, 818, 855, 856,
 &end
#
#    0 AMB  15-2:1357    51 GLU  HN          4.50    (#   1357:15  Single Ambig
)
 &rst
  ixpk= 1357, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 704, 705, 706, 855, 856,
 &end
#
#   50 MET  ME           51 GLU  HN          5.50    (#   1358:15  Unique         5.63, 6.55 A
)
 &rst
  ixpk= 1358, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 755, 756, 757,
 &end
#
#   57 ILE  QD1          51 GLU  HN          5.50    (#   1359:15  Unique         5.90, 6.94 A
)
 &rst
  ixpk= 1359, nxpk= 15, iat=  -1, 761, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 858, 859, 860,
 &end
#
#    0 AMB  15-2:1360    52 GLU  HN          5.50    (#   1360:15  Single Ambig
)
 &rst
  ixpk= 1360, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 721, 722, 723, 824, 825,
 &end
#
#   49 MET  HB+          52 GLU  HN          5.50    (#   1361:15  Unique         5.10, 5.35 A
)
 &rst
  ixpk= 1361, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#   49 MET  ME           52 GLU  HN          5.50    (#   1362:15  Unique         5.13, 6.45 A
)
 &rst
  ixpk= 1362, nxpk= 15, iat=  -1, 776, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 738, 739, 740,
 &end
#
#   49 MET  HN           52 GLU  HN          5.50    (#   1365:15  Unique         4.87, 4.99 A
)
 &rst
  ixpk= 1365, nxpk= 15, iat= 727, 776, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 GLU  HN           53 VAL  HN          5.50    (#   1366:15  Unique         4.24, 4.33 A
)
 &rst
  ixpk= 1366, nxpk= 15, iat= 761, 791, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 ARG  HD+          53 VAL  HN          5.50    (#   1368:15  Unique         4.02, 4.93 A
)
 &rst
  ixpk= 1368, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1742,1743,
 &end
#
#   50 MET  HB-          53 VAL  HN          5.50    (#   1369:15  Unique         4.79, 5.24 A
)
 &rst
  ixpk= 1369, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 748, 749,
 &end
#
#    0 AMB  15-2:1370    53 VAL  HN          5.50    (#   1370:15  Single Ambig
)
 &rst
  ixpk= 1370, nxpk= 15, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1806,1807,1806,1807,
 &end
#
#   55 ILE  QD1          54 GLY  HN          5.50    (#   1372:15  Unique         4.55, 5.56 A
)
 &rst
  ixpk= 1372, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 827, 828, 829,
 &end
#
#   50 MET  ME           54 GLY  HN          5.50    (#   1373:15  Unique         5.62, 6.79 A
)
 &rst
  ixpk= 1373, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 755, 756, 757,
 &end
#
#   55 ILE  HG1-         54 GLY  HN          5.50    (#   1374:15  Unique         3.78, 4.78 A
)
 &rst
  ixpk= 1374, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 824, 825,
 &end
#
#   53 VAL  HB           54 GLY  HN          5.50    (#   1376:15  Unique         2.96, 3.29 A
)
 &rst
  ixpk= 1376, nxpk= 15, iat= 795, 807, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 ASN  HB+          11 ASN  HD2-        5.50    (#   1377:15  Unique         2.30, 3.19 A
)
 &rst
  ixpk= 1377, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 195, 196,
 igr2= 200, 201,
 &end
#
#   34 SER  HB-          11 ASN  HD2-        4.50    (#   1378:15  Unique         2.60, 4.65 A
)
 &rst
  ixpk= 1378, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 522, 523,
 igr2= 200, 201,
 &end
#
#   11 ASN  HN           11 ASN  HD2-        5.50    (#   1379:15  Unique         4.18, 5.71 A
)
 &rst
  ixpk= 1379, nxpk= 15, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 200, 201,
 &end
#
#   56 ASP  HN           55 ILE  HN          4.50    (#   1380:15  Unique         4.38, 4.46 A
)
 &rst
  ixpk= 1380, nxpk= 15, iat= 833, 814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 GLU  HN           55 ILE  HN          5.50    (#   1381:15  Unique         4.18, 4.32 A
)
 &rst
  ixpk= 1381, nxpk= 15, iat= 761, 814, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   52 GLU  HN           55 ILE  HN          5.50    (#   1382:15  Unique         4.73, 4.80 A
)
 &rst
  ixpk= 1382, nxpk= 15, iat= 776, 814, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   53 VAL  HB           55 ILE  HN          5.50    (#   1383:15  Unique         3.23, 3.68 A
)
 &rst
  ixpk= 1383, nxpk= 15, iat= 795, 814, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   56 ASP  HB-          55 ILE  HN          5.50    (#   1384:15  Unique         5.34, 6.01 A
)
 &rst
  ixpk= 1384, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   51 GLU  HG+          55 ILE  HN          5.50    (#   1385:15  Unique         4.47, 4.99 A
)
 &rst
  ixpk= 1385, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 768, 769,
 &end
#
#   50 MET  HB-          55 ILE  HN          4.50    (#   1386:15  Unique         3.24, 3.98 A
)
 &rst
  ixpk= 1386, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 748, 749,
 &end
#
#   50 MET  ME           55 ILE  HN          4.50    (#   1387:15  Unique         4.43, 5.36 A
)
 &rst
  ixpk= 1387, nxpk= 15, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 755, 756, 757,
 &end
#
#   55 ILE  QD1          56 ASP  HN          5.50    (#   1388:15  Unique         5.15, 5.85 A
)
 &rst
  ixpk= 1388, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 827, 828, 829,
 &end
#
#    0 AMB  15-2:1390    56 ASP  HN          4.50    (#   1390:15  Single Ambig
)
 &rst
  ixpk= 1390, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 818, 855, 856,
 &end
#
#   55 ILE  HG1-         56 ASP  HN          4.50    (#   1391:15  Unique         4.27, 4.72 A
)
 &rst
  ixpk= 1391, nxpk= 15, iat=  -1, 833, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 824, 825,
 &end
#
#   55 ILE  HN           56 ASP  HN          4.50    (#   1392:15  Unique         4.38, 4.46 A
)
 &rst
  ixpk= 1392, nxpk= 15, iat= 814, 833, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 SER  HB-          57 ILE  HN          5.50    (#   1394:15  Unique         3.90, 4.75 A
)
 &rst
  ixpk= 1394, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 868, 869,
 &end
#
#   47 ILE  HA           57 ILE  HN          4.50    (#   1395:15  Unique         2.64, 3.16 A
)
 &rst
  ixpk= 1395, nxpk= 15, iat= 700, 845, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ASP  HB+          57 ILE  HN          5.50    (#   1396:15  Unique         2.50, 3.67 A
)
 &rst
  ixpk= 1396, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   56 ASP  HB-          57 ILE  HN          4.50    (#   1397:15  Unique         2.50, 3.67 A
)
 &rst
  ixpk= 1397, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 837, 838,
 &end
#
#    0 AMB  15-2:1398    57 ILE  HN          3.50    (#   1398:15  Single Ambig
)
 &rst
  ixpk= 1398, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 849, 751, 752, 889, 890,
 &end
#
#    0 AMB  15-2:1399    57 ILE  HN          4.50    (#   1399:15  Single Ambig
)
 &rst
  ixpk= 1399, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 748, 749, 886, 887,
 &end
#
#    0 AMB  15-2:1400    57 ILE  HN          5.50    (#   1400:15  Single Ambig
)
 &rst
  ixpk= 1400, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 748, 749, 631,
 &end
#
#   46 ALA  MB           57 ILE  HN          5.50    (#   1401:15  Unique         5.47, 6.77 A
)
 &rst
  ixpk= 1401, nxpk= 15, iat=  -1, 845, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 692, 693, 694,
 &end
#
#   47 ILE  HG1-         58 SER  HN          4.50    (#   1402:15  Unique         1.73, 2.65 A
)
 &rst
  ixpk= 1402, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 708, 709,
 &end
#
#   57 ILE  HG1-         58 SER  HN          4.50    (#   1404:15  Unique         4.01, 4.54 A
)
 &rst
  ixpk= 1404, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 855, 856,
 &end
#
#   46 ALA  MB           58 SER  HN          5.50    (#   1405:15  Unique         5.98, 7.08 A
)
 &rst
  ixpk= 1405, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 692, 693, 694,
 &end
#
#    0 AMB  15-2:1407    58 SER  HN          4.50    (#   1407:15  Single Ambig
)
 &rst
  ixpk= 1407, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 849, 889, 890,
 &end
#
#   56 ASP  HB-          58 SER  HN          5.50    (#   1408:15  Unique         3.15, 4.68 A
)
 &rst
  ixpk= 1408, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   56 ASP  HB+          58 SER  HN          5.50    (#   1409:15  Unique         3.15, 4.68 A
)
 &rst
  ixpk= 1409, nxpk= 15, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 837, 838,
 &end
#
#   47 ILE  HA           58 SER  HN          5.50    (#   1410:15  Unique         3.85, 4.19 A
)
 &rst
  ixpk= 1410, nxpk= 15, iat= 700, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 ILE  HA           58 SER  HN          3.50    (#   1411:15  Unique         3.41, 3.49 A
)
 &rst
  ixpk= 1411, nxpk= 15, iat= 847, 864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 GLN  HN           58 SER  HN          5.50    (#   1412:15  Unique         4.24, 4.47 A
)
 &rst
  ixpk= 1412, nxpk= 15, iat= 882, 864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 SER  HB+          59 GLY  HN          4.50    (#   1413:15  Unique         2.67, 3.66 A
)
 &rst
  ixpk= 1413, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 868, 869,
 &end
#
#    0 AMB  15-2:1414    59 GLY  HN          5.50    (#   1414:15  Single Ambig
)
 &rst
  ixpk= 1414, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 889, 890, 886, 887,
 &end
#
#    0 AMB  15-2:1415    59 GLY  HN          4.50    (#   1415:15  Single Ambig
)
 &rst
  ixpk= 1415, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 889, 890, 849,
 &end
#
#   42 VAL  MGY          59 GLY  HN          5.50    (#   1416:15  Unique         5.18, 7.31 A
)
 &rst
  ixpk= 1416, nxpk= 15, iat=  -1, 875, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#    0 AMB  15-2:1417    60 GLN  HN          5.50    (#   1417:15  Single Ambig
)
 &rst
  ixpk= 1417, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 708, 709, 858, 859, 860,
 &end
#
#   61 THR  MG2          60 GLN  HN          5.50    (#   1418:15  Unique         4.14, 5.41 A
)
 &rst
  ixpk= 1418, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 905, 906, 907,
 &end
#
#   58 SER  HB+          60 GLN  HN          5.50    (#   1420:15  Unique         4.89, 5.47 A
)
 &rst
  ixpk= 1420, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 868, 869,
 &end
#
#   60 GLN  HE2-         60 GLN  HN          5.50    (#   1421:15  Unique         4.58, 5.55 A
)
 &rst
  ixpk= 1421, nxpk= 15, iat=  -1, 882, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 894, 895,
 &end
#
#   58 SER  HN           60 GLN  HN          4.50    (#   1422:15  Unique         4.24, 4.47 A
)
 &rst
  ixpk= 1422, nxpk= 15, iat= 864, 882, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1423    61 THR  HN          4.50    (#   1423:15  Single Ambig
)
 &rst
  ixpk= 1423, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 913, 864,
 &end
#
#   60 GLN  HN           61 THR  HN          4.50    (#   1424:15  Unique         2.39, 3.52 A
)
 &rst
  ixpk= 1424, nxpk= 15, iat= 882, 899, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 GLN  HE2+         61 THR  HN          5.50    (#   1425:15  Unique         4.02, 5.68 A
)
 &rst
  ixpk= 1425, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 274, 275,
 &end
#
#   42 VAL  MGY          61 THR  HN          4.50    (#   1426:15  Unique         2.67, 5.69 A
)
 &rst
  ixpk= 1426, nxpk= 15, iat=  -1, 899, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 633, 634, 635, 637, 638, 639,
 &end
#
#   16 GLN  HE2+         62 SER  HN          5.50    (#   1429:15  Unique         4.00, 4.86 A
)
 &rst
  ixpk= 1429, nxpk= 15, iat=  -1, 913, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 274, 275,
 &end
#
#   61 THR  HN           62 SER  HN          4.50    (#   1430:15  Unique         4.37, 4.48 A
)
 &rst
  ixpk= 1430, nxpk= 15, iat= 899, 913, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 ASP  HN           62 SER  HN          5.50    (#   1431:15  Unique         4.51, 4.54 A
)
 &rst
  ixpk= 1431, nxpk= 15, iat= 924, 913, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1432    63 ASP  HN          5.50    (#   1432:15  Single Ambig
)
 &rst
  ixpk= 1432, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 540, 913,
 &end
#
#   16 GLN  HE2+         63 ASP  HN          5.50    (#   1433:15  Unique         3.36, 4.07 A
)
 &rst
  ixpk= 1433, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 274, 275,
 &end
#
#   63 ASP  HA           63 ASP  HN          4.50    (#   1434:15  Unique         2.91, 2.94 A
)
 &rst
  ixpk= 1434, nxpk= 15, iat= 926, 924, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   35 CYS  HA           63 ASP  HN          4.50    (#   1435:15  Unique         3.40, 3.71 A
)
 &rst
  ixpk= 1435, nxpk= 15, iat= 531, 924, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1437    63 ASP  HN          5.50    (#   1437:15  Single Ambig
)
 &rst
  ixpk= 1437, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 583, 903,
 &end
#
#   64 PRO  HD+          63 ASP  HN          5.50    (#   1438:15  Unique         4.25, 4.81 A
)
 &rst
  ixpk= 1438, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 937, 938,
 &end
#
#   62 SER  HB+          63 ASP  HN          5.50    (#   1439:15  Unique         2.39, 3.11 A
)
 &rst
  ixpk= 1439, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 917, 918,
 &end
#
#    0 AMB  15-2:1440    63 ASP  HN          4.50    (#   1440:15  Single Ambig
)
 &rst
  ixpk= 1440, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 917, 918, 585, 586,
 &end
#
#   11 ASN  HB+          63 ASP  HN          4.50    (#   1441:15  Unique         2.94, 3.81 A
)
 &rst
  ixpk= 1441, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 195, 196,
 &end
#
#   63 ASP  HB-          63 ASP  HN          3.50    (#   1442:15  Unique         2.79, 3.03 A
)
 &rst
  ixpk= 1442, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 928, 929,
 &end
#
#   11 ASN  HB-          63 ASP  HN          4.50    (#   1443:15  Unique         2.94, 3.81 A
)
 &rst
  ixpk= 1443, nxpk= 15, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 195, 196,
 &end
#
#   65 ILE  QD1          65 ILE  HN          4.50    (#   1444:15  Unique         4.49, 5.21 A
)
 &rst
  ixpk= 1444, nxpk= 15, iat=  -1, 950, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 963, 964, 965,
 &end
#
#   35 CYS  HA           65 ILE  HN          5.50    (#   1446:15  Unique         4.30, 4.48 A
)
 &rst
  ixpk= 1446, nxpk= 15, iat= 531, 950, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 ILE  HN           66 GLU  HN          3.50    (#   1448:15  Unique         2.48, 2.65 A
)
 &rst
  ixpk= 1448, nxpk= 15, iat= 950, 969, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 PHE  HN           66 GLU  HN          5.50    (#   1449:15  Unique         4.56, 4.61 A
)
 &rst
  ixpk= 1449, nxpk= 15, iat= 998, 969, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1450    66 GLU  HN          5.50    (#   1450:15  Single Ambig
)
 &rst
  ixpk= 1450, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1006,1014,1321,
 &end
#
#   64 PRO  HA           66 GLU  HN          4.50    (#   1451:15  Unique         3.85, 3.94 A
)
 &rst
  ixpk= 1451, nxpk= 15, iat= 946, 969, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 ILE  HB           66 GLU  HN          4.50    (#   1452:15  Unique         3.91, 3.98 A
)
 &rst
  ixpk= 1452, nxpk= 15, iat= 954, 969, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 ILE  QD1          66 GLU  HN          5.50    (#   1454:15  Unique         5.54, 6.05 A
)
 &rst
  ixpk= 1454, nxpk= 15, iat=  -1, 969, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 963, 964, 965,
 &end
#
#   65 ILE  QG2          67 ASN  HN          5.50    (#   1455:15  Unique         4.97, 5.58 A
)
 &rst
  ixpk= 1455, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 956, 957, 958,
 &end
#
#   68 PHE  HB-          67 ASN  HN          5.50    (#   1456:15  Unique         4.52, 5.41 A
)
 &rst
  ixpk= 1456, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#   64 PRO  HD+          67 ASN  HN          5.50    (#   1457:15  Unique         4.18, 5.07 A
)
 &rst
  ixpk= 1457, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 937, 938,
 &end
#
#   65 ILE  HA           67 ASN  HN          4.50    (#   1458:15  Unique         3.65, 3.83 A
)
 &rst
  ixpk= 1458, nxpk= 15, iat= 952, 984, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 PHE  HA           67 ASN  HN          5.50    (#   1459:15  Unique         4.93, 5.22 A
)
 &rst
  ixpk= 1459, nxpk= 15, iat=1000, 984, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 PHE  HE           67 ASN  HN          5.50    (#   1460:15  Unique         4.18, 6.02 A
)
 &rst
  ixpk= 1460, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1008,1012,
 &end
#
#   69 ASN  HN           68 PHE  HN          5.50    (#   1462:15  Unique         4.33, 4.37 A
)
 &rst
  ixpk= 1462, nxpk= 15, iat=1018, 998, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 GLU  HN           68 PHE  HN          4.50    (#   1463:15  Unique         4.56, 4.61 A
)
 &rst
  ixpk= 1463, nxpk= 15, iat= 969, 998, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 PHE  HE           68 PHE  HN          5.50    (#   1464:15  Unique         4.32, 5.55 A
)
 &rst
  ixpk= 1464, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1008,1012,
 &end
#
#   73 TYR  HE           68 PHE  HN          5.50    (#   1465:15  Unique         5.74, 7.42 A
)
 &rst
  ixpk= 1465, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1076,1081,
 &end
#
#   65 ILE  HA           68 PHE  HN          4.50    (#   1466:15  Unique         3.79, 4.09 A
)
 &rst
  ixpk= 1466, nxpk= 15, iat= 952, 998, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 GLU  HB+          68 PHE  HN          5.50    (#   1467:15  Unique         5.21, 5.51 A
)
 &rst
  ixpk= 1467, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 973, 974,
 &end
#
#    0 AMB  15-2:1468    68 PHE  HN          5.50    (#   1468:15  Single Ambig
)
 &rst
  ixpk= 1468, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 960, 961, 510, 511, 512,
 &end
#
#    5 MET  ME           68 PHE  HN          5.50    (#   1469:15  Unique         4.44, 5.55 A
)
 &rst
  ixpk= 1469, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  92,  93,  94,
 &end
#
#    5 MET  ME           69 ASN  HN          5.50    (#   1470:15  Unique         3.94, 5.25 A
)
 &rst
  ixpk= 1470, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  92,  93,  94,
 &end
#
#   72 ASP  HB-          69 ASN  HN          5.50    (#   1471:15  Unique         3.98, 4.41 A
)
 &rst
  ixpk= 1471, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1058,1059,
 &end
#
#   73 TYR  HE           69 ASN  HN          5.50    (#   1473:15  Unique         2.77, 5.10 A
)
 &rst
  ixpk= 1473, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1076,1081,
 &end
#
#   72 ASP  HN           69 ASN  HN          5.50    (#   1475:15  Unique         4.34, 4.48 A
)
 &rst
  ixpk= 1475, nxpk= 15, iat=1054,1018, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ASN  HD2-         69 ASN  HN          5.50    (#   1476:15  Unique         2.21, 2.80 A
)
 &rst
  ixpk= 1476, nxpk= 15, iat=  -1,1018, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1027,1028,
 &end
#
#   68 PHE  HN           69 ASN  HN          5.50    (#   1477:15  Unique         4.33, 4.37 A
)
 &rst
  ixpk= 1477, nxpk= 15, iat= 998,1018, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   70 ALA  HN           69 ASN  HN          5.50    (#   1478:15  Unique         3.97, 4.10 A
)
 &rst
  ixpk= 1478, nxpk= 15, iat=1032,1018, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HE1          70 ALA  HN          5.50    (#   1479:15  Unique         3.95, 4.65 A
)
 &rst
  ixpk= 1479, nxpk= 15, iat=1318,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ASN  HN           70 ALA  HN          5.50    (#   1480:15  Unique         3.97, 4.10 A
)
 &rst
  ixpk= 1480, nxpk= 15, iat=1018,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1482    70 ALA  HN          5.50    (#   1482:15  Single Ambig
)
 &rst
  ixpk= 1482, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1054,1066,
 &end
#
#   69 ASN  HD2+         70 ALA  HN          5.50    (#   1483:15  Unique         4.23, 5.31 A
)
 &rst
  ixpk= 1483, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1027,1028,
 &end
#
#   73 TYR  HE           70 ALA  HN          5.50    (#   1484:15  Unique         5.47, 7.33 A
)
 &rst
  ixpk= 1484, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1076,1081,
 &end
#
#   90 TRP  HA           70 ALA  HN          5.50    (#   1485:15  Unique         4.43, 4.81 A
)
 &rst
  ixpk= 1485, nxpk= 15, iat=1310,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1486    70 ALA  HN          5.50    (#   1486:15  Single Ambig
)
 &rst
  ixpk= 1486, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1046,1047,1369,1370,
 &end
#
#    0 AMB  15-2:1487    70 ALA  HN          5.50    (#   1487:15  Single Ambig
)
 &rst
  ixpk= 1487, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1046,1047,1119,
 &end
#
#   70 ALA  HA           70 ALA  HN          3.50    (#   1488:15  Unique         2.77, 2.82 A
)
 &rst
  ixpk= 1488, nxpk= 15, iat=1034,1032, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 GLU  HB+          70 ALA  HN          5.50    (#   1489:15  Unique         3.98, 5.28 A
)
 &rst
  ixpk= 1489, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1297,1298,
 &end
#
#   89 GLU  HB-          70 ALA  HN          5.50    (#   1490:15  Unique         3.98, 5.28 A
)
 &rst
  ixpk= 1490, nxpk= 15, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1297,1298,
 &end
#
#   89 GLU  HB-          71 ASP  HN          5.50    (#   1491:15  Unique         4.68, 5.64 A
)
 &rst
  ixpk= 1491, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1297,1298,
 &end
#
#   89 GLU  HB+          71 ASP  HN          5.50    (#   1492:15  Unique         4.68, 5.64 A
)
 &rst
  ixpk= 1492, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1297,1298,
 &end
#
#   72 ASP  HB-          71 ASP  HN          5.50    (#   1493:15  Unique         4.91, 5.04 A
)
 &rst
  ixpk= 1493, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1058,1059,
 &end
#
#   93 GLN  HE2+         71 ASP  HN          4.50    (#   1494:15  Unique         4.10, 4.98 A
)
 &rst
  ixpk= 1494, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   69 ASN  HD2+         71 ASP  HN          4.50    (#   1495:15  Unique         3.52, 4.49 A
)
 &rst
  ixpk= 1495, nxpk= 15, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1027,1028,
 &end
#
#   69 ASN  HN           72 ASP  HN          5.50    (#   1496:15  Unique         4.34, 4.48 A
)
 &rst
  ixpk= 1496, nxpk= 15, iat=1018,1054, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   70 ALA  HN           72 ASP  HN          4.50    (#   1497:15  Unique         4.46, 4.52 A
)
 &rst
  ixpk= 1497, nxpk= 15, iat=1032,1054, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 ASN  HD2+         72 ASP  HN          3.50    (#   1498:15  Unique         2.74, 3.50 A
)
 &rst
  ixpk= 1498, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1027,1028,
 &end
#
#   69 ASN  HA           72 ASP  HN          5.50    (#   1499:15  Unique         5.05, 5.15 A
)
 &rst
  ixpk= 1499, nxpk= 15, iat=1020,1054, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1500    72 ASP  HN          3.50    (#   1500:15  Single Ambig
)
 &rst
  ixpk= 1500, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1070,1071,1022,1023,
 &end
#
#    3 LYS  HB-          72 ASP  HN          5.50    (#   1501:15  Unique         6.32, 6.42 A
)
 &rst
  ixpk= 1501, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  47,  48,
 &end
#
#    3 LYS  HD+          72 ASP  HN          5.50    (#   1502:15  Unique         5.76, 6.20 A
)
 &rst
  ixpk= 1502, nxpk= 15, iat=  -1,1054, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  53,  54,
 &end
#
#   76 VAL  MGX          73 TYR  HN          5.50    (#   1503:15  Unique         5.06, 6.90 A
)
 &rst
  ixpk= 1503, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    5 MET  HB-          73 TYR  HN          5.50    (#   1504:15  Unique         5.58, 6.22 A
)
 &rst
  ixpk= 1504, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  85,  86,
 &end
#
#   70 ALA  MB           73 TYR  HN          5.50    (#   1505:15  Unique         3.93, 4.99 A
)
 &rst
  ixpk= 1505, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#    0 AMB  15-2:1506    73 TYR  HN          5.50    (#   1506:15  Single Ambig
)
 &rst
  ixpk= 1506, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  53,  54,  50,  51,  88,  89,
 &end
#
#    3 LYS  HB-          73 TYR  HN          4.50    (#   1507:15  Unique         4.79, 4.88 A
)
 &rst
  ixpk= 1507, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  47,  48,
 &end
#
#   70 ALA  HA           73 TYR  HN          3.50    (#   1508:15  Unique         2.92, 3.30 A
)
 &rst
  ixpk= 1508, nxpk= 15, iat=1034,1066, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ASP  HB-          73 TYR  HN          4.50    (#   1509:15  Unique         3.46, 3.98 A
)
 &rst
  ixpk= 1509, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1058,1059,
 &end
#
#    0 AMB  15-2:1510    73 TYR  HN          4.50    (#   1510:15  Single Ambig
)
 &rst
  ixpk= 1510, nxpk= 15, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1369,1370,1046,1047,
 &end
#
#   74 ASP  HN           73 TYR  HN          4.50    (#   1513:15  Unique         4.21, 4.35 A
)
 &rst
  ixpk= 1513, nxpk= 15, iat=1087,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1514    74 ASP  HN          5.50    (#   1514:15  Single Ambig
)
 &rst
  ixpk= 1514, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1105,1106,1107,1109,1110,1111,  71,  72,  73,  75,
        76,  77,
 &end
#
#   76 VAL  MGX          74 ASP  HN          5.50    (#   1515:15  Unique         5.07, 7.41 A
)
 &rst
  ixpk= 1515, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    3 LYS  HG+          74 ASP  HN          5.50    (#   1516:15  Unique         4.70, 5.00 A
)
 &rst
  ixpk= 1516, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  50,  51,
 &end
#
#   75 VAL  HB           74 ASP  HN          5.50    (#   1517:15  Unique         4.30, 5.32 A
)
 &rst
  ixpk= 1517, nxpk= 15, iat=1103,1087, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    2 LYS  HA           74 ASP  HN          4.50    (#   1518:15  Unique         4.01, 4.27 A
)
 &rst
  ixpk= 1518, nxpk= 15, iat=  23,1087, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 TYR  HD           74 ASP  HN          4.50    (#   1520:15  Unique         3.80, 5.02 A
)
 &rst
  ixpk= 1520, nxpk= 15, iat=  -1,1087, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1074,1083,
 &end
#
#   73 TYR  HN           74 ASP  HN          5.50    (#   1521:15  Unique         4.21, 4.35 A
)
 &rst
  ixpk= 1521, nxpk= 15, iat=1066,1087, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 LYS  HN           75 VAL  HN          4.50    (#   1523:15  Unique         3.44, 3.95 A
)
 &rst
  ixpk= 1523, nxpk= 15, iat=  43,1099, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    4 VAL  HN           75 VAL  HN          5.50    (#   1524:15  Unique         4.82, 4.90 A
)
 &rst
  ixpk= 1524, nxpk= 15, iat=  65,1099, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   73 TYR  HD           75 VAL  HN          5.50    (#   1525:15  Unique         4.20, 5.63 A
)
 &rst
  ixpk= 1525, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1074,1083,
 &end
#
#    0 AMB  15-2:1526    75 VAL  HN          5.50    (#   1526:15  Single Ambig
)
 &rst
  ixpk= 1526, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  23,1364,
 &end
#
#    3 LYS  HA           75 VAL  HN          5.50    (#   1528:15  Unique         5.03, 5.11 A
)
 &rst
  ixpk= 1528, nxpk= 15, iat=  45,1099, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1529    75 VAL  HN          5.50    (#   1529:15  Single Ambig
)
 &rst
  ixpk= 1529, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1369,1370,1383,1384,
 &end
#
#    0 AMB  15-2:1530    75 VAL  HN          4.50    (#   1530:15  Single Ambig
)
 &rst
  ixpk= 1530, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  25,  26,  31,  32,1404,1405,  53,  54,
 &end
#
#   76 VAL  MGX          75 VAL  HN          4.50    (#   1531:15  Unique         3.91, 6.11 A
)
 &rst
  ixpk= 1531, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:1532    75 VAL  HN          5.50    (#   1532:15  Single Ambig
)
 &rst
  ixpk= 1532, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#    4 VAL  MGY          75 VAL  HN          5.50    (#   1533:15  Unique         4.09, 6.06 A
)
 &rst
  ixpk= 1533, nxpk= 15, iat=  -1,1099, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#    4 VAL  MGY          76 VAL  HN          5.50    (#   1534:15  Unique         4.94, 7.18 A
)
 &rst
  ixpk= 1534, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   77 ILE  QD1          76 VAL  HN          5.50    (#   1535:15  Unique         3.64, 4.90 A
)
 &rst
  ixpk= 1535, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1144,1145,1146,
 &end
#
#   95 ILE  HG1-         76 VAL  HN          5.50    (#   1536:15  Unique         5.60, 5.99 A
)
 &rst
  ixpk= 1536, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#   75 VAL  HB           76 VAL  HN          5.50    (#   1537:15  Unique         3.79, 3.92 A
)
 &rst
  ixpk= 1537, nxpk= 15, iat=1103,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1538    76 VAL  HN          5.50    (#   1538:15  Single Ambig
)
 &rst
  ixpk= 1538, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1369,1370,1383,1384,
 &end
#
#   93 GLN  HB+          76 VAL  HN          5.50    (#   1539:15  Unique         3.46, 4.23 A
)
 &rst
  ixpk= 1539, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1366,1367,
 &end
#
#   96 PHE  HB+          76 VAL  HN          5.50    (#   1540:15  Unique         3.98, 4.97 A
)
 &rst
  ixpk= 1540, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1417,1418,
 &end
#
#    0 AMB  15-2:1541    76 VAL  HN          5.50    (#   1541:15  Single Ambig
)
 &rst
  ixpk= 1541, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1133,1364,
 &end
#
#   96 PHE  HD           76 VAL  HN          4.50    (#   1542:15  Unique         4.11, 5.86 A
)
 &rst
  ixpk= 1542, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   97 GLU  HN           76 VAL  HN          5.50    (#   1543:15  Unique         4.73, 5.15 A
)
 &rst
  ixpk= 1543, nxpk= 15, iat=1433,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ILE  HN           76 VAL  HN          3.50    (#   1544:15  Unique         3.46, 3.60 A
)
 &rst
  ixpk= 1544, nxpk= 15, iat=1394,1115, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    7 VAL  HN           77 ILE  HN          4.50    (#   1545:15  Unique         3.84, 4.09 A
)
 &rst
  ixpk= 1545, nxpk= 15, iat= 118,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    5 MET  HN           77 ILE  HN          4.50    (#   1546:15  Unique         3.17, 3.47 A
)
 &rst
  ixpk= 1546, nxpk= 15, iat=  81,1131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PHE  HE           77 ILE  HN          5.50    (#   1547:15  Unique         5.57, 6.26 A
)
 &rst
  ixpk= 1547, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 108, 112,
 &end
#
#    0 AMB  15-2:1548    77 ILE  HN          4.50    (#   1548:15  Single Ambig
)
 &rst
  ixpk= 1548, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 106, 114, 110,
 &end
#
#    6 PHE  HB-          77 ILE  HN          5.50    (#   1549:15  Unique         5.08, 5.61 A
)
 &rst
  ixpk= 1549, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 102, 103,
 &end
#
#   76 VAL  HB           77 ILE  HN          5.50    (#   1550:15  Unique         3.99, 4.26 A
)
 &rst
  ixpk= 1550, nxpk= 15, iat=1119,1131, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1551    77 ILE  HN          4.50    (#   1551:15  Single Ambig
)
 &rst
  ixpk= 1551, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  88,  89, 122,
 &end
#
#    5 MET  HB-          77 ILE  HN          5.50    (#   1552:15  Unique         3.38, 4.61 A
)
 &rst
  ixpk= 1552, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  85,  86,
 &end
#
#    0 AMB  15-2:1553    77 ILE  HN          5.50    (#   1553:15  Single Ambig
)
 &rst
  ixpk= 1553, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1105,1106,1107,1109,1110,1111,1170,1171,1172,1174,
      1175,1176,
 &end
#
#    4 VAL  MGY          77 ILE  HN          5.50    (#   1554:15  Unique         3.90, 5.94 A
)
 &rst
  ixpk= 1554, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=  71,  72,  73,  75,  76,  77,
 &end
#
#   77 ILE  QG2          77 ILE  HN          4.50    (#   1555:15  Unique         4.07, 4.38 A
)
 &rst
  ixpk= 1555, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#   77 ILE  HG1+         78 SER  HN          5.50    (#   1556:15  Unique         5.16, 5.35 A
)
 &rst
  ixpk= 1556, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1141,1142,
 &end
#
#    0 AMB  15-2:1557    78 SER  HN          5.50    (#   1557:15  Single Ambig
)
 &rst
  ixpk= 1557, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1255,1256,1257,1259,1260,1261,1141,1142,
 &end
#
#    0 AMB  15-2:1558    78 SER  HN          4.50    (#   1558:15  Single Ambig
)
 &rst
  ixpk= 1558, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1170,1171,1172,1174,1175,1176,1255,1256,1257,1259,
      1260,1261,
 &end
#
#    0 AMB  15-2:1559    78 SER  HN          4.50    (#   1559:15  Single Ambig
)
 &rst
  ixpk= 1559, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1121,1122,1123,1125,1126,1127,1168,
 &end
#
#   77 ILE  HB           78 SER  HN          5.50    (#   1560:15  Unique         4.08, 4.32 A
)
 &rst
  ixpk= 1560, nxpk= 15, iat=1135,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    7 VAL  HB           78 SER  HN          5.50    (#   1561:15  Unique         4.47, 4.89 A
)
 &rst
  ixpk= 1561, nxpk= 15, iat= 122,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 GLU  HB-          78 SER  HN          5.50    (#   1562:15  Unique         4.01, 4.66 A
)
 &rst
  ixpk= 1562, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1437,1438,
 &end
#
#   97 GLU  HB+          78 SER  HN          5.50    (#   1563:15  Unique         4.01, 4.66 A
)
 &rst
  ixpk= 1563, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1437,1438,
 &end
#
#   98 ASP  HB-          78 SER  HN          5.50    (#   1564:15  Unique         4.16, 5.00 A
)
 &rst
  ixpk= 1564, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1452,1453,
 &end
#
#   98 ASP  HB+          78 SER  HN          5.50    (#   1565:15  Unique         4.16, 5.00 A
)
 &rst
  ixpk= 1565, nxpk= 15, iat=  -1,1150, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1452,1453,
 &end
#
#   97 GLU  HN           78 SER  HN          4.50    (#   1568:15  Unique         2.86, 3.07 A
)
 &rst
  ixpk= 1568, nxpk= 15, iat=1433,1150, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HN           78 SER  HN          4.50    (#   1569:15  Unique         3.71, 3.97 A
)
 &rst
  ixpk= 1569, nxpk= 15, iat=1460,1150, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 LEU  HN           78 SER  HN          5.50    (#   1570:15  Unique         4.40, 4.46 A
)
 &rst
  ixpk= 1570, nxpk= 15, iat=1161,1150, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 CYS  HN           79 LEU  HN          4.50    (#   1571:15  Unique         1.92, 2.48 A
)
 &rst
  ixpk= 1571, nxpk= 15, iat=1180,1161, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 SER  HB-          79 LEU  HN          5.50    (#   1572:15  Unique         2.46, 3.76 A
)
 &rst
  ixpk= 1572, nxpk= 15, iat=  -1,1161, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1154,1155,
 &end
#
#   79 LEU  HB-          79 LEU  HN          5.50    (#   1573:15  Unique         2.69, 3.37 A
)
 &rst
  ixpk= 1573, nxpk= 15, iat=  -1,1161, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1165,1166,
 &end
#
#   79 LEU  MDX          79 LEU  HN          5.50    (#   1574:15  Unique         2.53, 4.60 A
)
 &rst
  ixpk= 1574, nxpk= 15, iat=  -1,1161, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   78 SER  HB+          80 CYS  HN          4.50    (#   1575:15  Unique         2.21, 3.88 A
)
 &rst
  ixpk= 1575, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1154,1155,
 &end
#
#   78 SER  HB-          80 CYS  HN          4.50    (#   1576:15  Unique         2.21, 3.88 A
)
 &rst
  ixpk= 1576, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1154,1155,
 &end
#
#   83 GLY  HN           82 CYS  HN          4.50    (#   1579:15  Unique         2.12, 3.36 A
)
 &rst
  ixpk= 1579, nxpk= 15, iat=1209,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 GLY  HN           82 CYS  HN          4.50    (#   1580:15  Unique         2.22, 3.26 A
)
 &rst
  ixpk= 1580, nxpk= 15, iat=1191,1198, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HB-          84 VAL  HN          4.50    (#   1586:15  Unique         2.85, 4.11 A
)
 &rst
  ixpk= 1586, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#   82 CYS  HB+          84 VAL  HN          5.50    (#   1587:15  Unique         3.11, 4.45 A
)
 &rst
  ixpk= 1587, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1202,1203,
 &end
#
#   81 GLY  HA+          84 VAL  HN          5.50    (#   1588:15  Unique         4.63, 5.58 A
)
 &rst
  ixpk= 1588, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1193,1194,
 &end
#
#   85 ASN  HD2-         85 ASN  HN          5.50    (#   1590:15  Unique         3.76, 4.95 A
)
 &rst
  ixpk= 1590, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1241,1242,
 &end
#
#   84 VAL  HN           85 ASN  HN          4.50    (#   1591:15  Unique         4.12, 4.46 A
)
 &rst
  ixpk= 1591, nxpk= 15, iat=1216,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 LEU  HA           85 ASN  HN          5.50    (#   1593:15  Unique         3.93, 4.78 A
)
 &rst
  ixpk= 1593, nxpk= 15, iat=1248,1232, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 VAL  HB           85 ASN  HN          4.50    (#   1595:15  Unique         3.56, 3.97 A
)
 &rst
  ixpk= 1595, nxpk= 15, iat=1220,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1596    86 LEU  HN          4.50    (#   1596:15  Single Ambig
)
 &rst
  ixpk= 1596, nxpk= 15, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1222,1223,1224,1226,1227,1228,1222,1223,1224,1226,
      1227,1228,1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  MDX          86 LEU  HN          5.50    (#   1597:15  Unique         3.10, 4.22 A
)
 &rst
  ixpk= 1597, nxpk= 15, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1255,1256,1257,1259,1260,1261,
 &end
#
#   86 LEU  HB-          86 LEU  HN          3.50    (#   1598:15  Unique         2.18, 3.06 A
)
 &rst
  ixpk= 1598, nxpk= 15, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1250,1251,
 &end
#
#   85 ASN  HB-          86 LEU  HN          4.50    (#   1599:15  Unique         2.77, 4.42 A
)
 &rst
  ixpk= 1599, nxpk= 15, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1236,1237,
 &end
#
#   85 ASN  HB+          86 LEU  HN          5.50    (#   1600:15  Unique         2.77, 4.42 A
)
 &rst
  ixpk= 1600, nxpk= 15, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1236,1237,
 &end
#
#   86 LEU  HA           86 LEU  HN          5.50    (#   1601:15  Unique         2.67, 2.77 A
)
 &rst
  ixpk= 1601, nxpk= 15, iat=1248,1246, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 VAL  HN           89 GLU  HN          4.50    (#   1602:15  Unique         4.51, 4.59 A
)
 &rst
  ixpk= 1602, nxpk= 15, iat=1332,1293, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1604    89 GLU  HN          5.50    (#   1604:15  Single Ambig
)
 &rst
  ixpk= 1604, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1312,1313,1280,1281,
 &end
#
#   90 TRP  HB-          89 GLU  HN          5.50    (#   1605:15  Unique         4.59, 5.58 A
)
 &rst
  ixpk= 1605, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1312,1313,
 &end
#
#   91 VAL  MGX          89 GLU  HN          5.50    (#   1607:15  Unique         5.06, 7.37 A
)
 &rst
  ixpk= 1607, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   70 ALA  MB           89 GLU  HN          5.50    (#   1608:15  Unique         4.50, 5.67 A
)
 &rst
  ixpk= 1608, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#   89 GLU  HN           91 VAL  HN          5.50    (#   1610:15  Unique         4.51, 4.59 A
)
 &rst
  ixpk= 1610, nxpk= 15, iat=1293,1332, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1612    91 VAL  HN          4.50    (#   1612:15  Single Ambig
)
 &rst
  ixpk= 1612, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1352,1350,
 &end
#
#   89 GLU  HA           91 VAL  HN          4.50    (#   1613:15  Unique         2.98, 3.39 A
)
 &rst
  ixpk= 1613, nxpk= 15, iat=1295,1332, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 TRP  HB+          91 VAL  HN          4.50    (#   1614:15  Unique         2.69, 3.54 A
)
 &rst
  ixpk= 1614, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1312,1313,
 &end
#
#    0 AMB  15-2:1615    91 VAL  HN          5.50    (#   1615:15  Single Ambig
)
 &rst
  ixpk= 1615, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1286,1287,1119,
 &end
#
#    0 AMB  15-2:1616    91 VAL  HN          5.50    (#   1616:15  Single Ambig
)
 &rst
  ixpk= 1616, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1283,1284,1283,1284,1369,1370,1300,1301,
 &end
#
#   89 GLU  HB+          91 VAL  HN          5.50    (#   1617:15  Unique         4.58, 5.16 A
)
 &rst
  ixpk= 1617, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1297,1298,
 &end
#
#   86 LEU  HB-          91 VAL  HN          5.50    (#   1618:15  Unique         3.00, 3.88 A
)
 &rst
  ixpk= 1618, nxpk= 15, iat=  -1,1332, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1250,1251,
 &end
#
#   91 VAL  MGY          92 THR  HN          4.50    (#   1620:15  Unique         2.87, 4.60 A
)
 &rst
  ixpk= 1620, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   70 ALA  MB           92 THR  HN          5.50    (#   1621:15  Unique         4.83, 5.78 A
)
 &rst
  ixpk= 1621, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#   91 VAL  HB           92 THR  HN          4.50    (#   1622:15  Unique         4.04, 4.22 A
)
 &rst
  ixpk= 1622, nxpk= 15, iat=1336,1348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 GLN  HB-          92 THR  HN          5.50    (#   1623:15  Unique         4.18, 5.17 A
)
 &rst
  ixpk= 1623, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1366,1367,
 &end
#
#    0 AMB  15-2:1624    92 THR  HN          4.50    (#   1624:15  Single Ambig
)
 &rst
  ixpk= 1624, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1369,1370,1300,1301,
 &end
#
#   93 GLN  HG+          92 THR  HN          5.50    (#   1625:15  Unique         3.07, 4.25 A
)
 &rst
  ixpk= 1625, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1369,1370,
 &end
#
#   89 GLU  HA           92 THR  HN          4.50    (#   1626:15  Unique         2.93, 3.62 A
)
 &rst
  ixpk= 1626, nxpk= 15, iat=1295,1348, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HA           92 THR  HN          3.50    (#   1627:15  Unique         3.12, 3.40 A
)
 &rst
  ixpk= 1627, nxpk= 15, iat=1334,1348, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:1628    93 GLN  HN          4.50    (#   1628:15  Single Ambig
)
 &rst
  ixpk= 1628, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1379,1413,
 &end
#
#   93 GLN  HE2-         93 GLN  HN          5.50    (#   1629:15  Unique         3.73, 4.55 A
)
 &rst
  ixpk= 1629, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#   93 GLN  HE2+         93 GLN  HN          5.50    (#   1630:15  Unique         3.73, 4.55 A
)
 &rst
  ixpk= 1630, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#    0 AMB  15-2:1632    93 GLN  HN          5.50    (#   1632:15  Single Ambig
)
 &rst
  ixpk= 1632, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1295,1381,
 &end
#
#   96 PHE  HB+          93 GLN  HN          5.50    (#   1633:15  Unique         3.14, 4.34 A
)
 &rst
  ixpk= 1633, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1417,1418,
 &end
#
#   76 VAL  MGX          93 GLN  HN          4.50    (#   1635:15  Unique         3.79, 5.78 A
)
 &rst
  ixpk= 1635, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:1636    93 GLN  HN          4.50    (#   1636:15  Single Ambig
)
 &rst
  ixpk= 1636, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1121,1122,1123,1125,1126,1127,1354,1355,1356,
 &end
#
#   91 VAL  MGX          93 GLN  HN          5.50    (#   1637:15  Unique         5.07, 6.19 A
)
 &rst
  ixpk= 1637, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   91 VAL  MGY          93 GLN  HN          5.50    (#   1638:15  Unique         5.07, 6.19 A
)
 &rst
  ixpk= 1638, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
#
#   70 ALA  MB           93 GLN  HN          5.50    (#   1639:15  Unique         5.03, 6.06 A
)
 &rst
  ixpk= 1639, nxpk= 15, iat=  -1,1362, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1036,1037,1038,
 &end
#
#    0 AMB  15-2:1640    94 GLU  HN          5.50    (#   1640:15  Single Ambig
)
 &rst
  ixpk= 1640, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1105,1106,1107,1109,1110,1111,1407,1408,1409,1400,
      1401,1402,
 &end
#
#    0 AMB  15-2:1641    94 GLU  HN          5.50    (#   1641:15  Single Ambig
)
 &rst
  ixpk= 1641, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1121,1122,1123,1125,1126,1127,1404,1405,
 &end
#
#   95 ILE  HG1-         94 GLU  HN          5.50    (#   1642:15  Unique         4.74, 5.52 A
)
 &rst
  ixpk= 1642, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#   74 ASP  HB+          94 GLU  HN          5.50    (#   1645:15  Unique         5.49, 5.92 A
)
 &rst
  ixpk= 1645, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1091,1092,
 &end
#
#   75 VAL  HA           94 GLU  HN          5.50    (#   1646:15  Unique         3.63, 4.06 A
)
 &rst
  ixpk= 1646, nxpk= 15, iat=1101,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 GLN  HE2-         94 GLU  HN          5.50    (#   1649:15  Unique         5.07, 6.04 A
)
 &rst
  ixpk= 1649, nxpk= 15, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1374,1375,
 &end
#
#   93 GLN  HN           94 GLU  HN          4.50    (#   1651:15  Unique         4.42, 4.50 A
)
 &rst
  ixpk= 1651, nxpk= 15, iat=1362,1379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1652    95 ILE  HN          5.50    (#   1652:15  Single Ambig
)
 &rst
  ixpk= 1652, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1089,  67,
 &end
#
#   74 ASP  HB+          95 ILE  HN          5.50    (#   1654:15  Unique         5.90, 6.38 A
)
 &rst
  ixpk= 1654, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1091,1092,
 &end
#
#   93 GLN  HB+          95 ILE  HN          4.50    (#   1655:15  Unique         3.20, 3.55 A
)
 &rst
  ixpk= 1655, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1366,1367,
 &end
#
#   93 GLN  HG-          95 ILE  HN          5.50    (#   1656:15  Unique         5.49, 5.71 A
)
 &rst
  ixpk= 1656, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1369,1370,
 &end
#
#   75 VAL  HB           95 ILE  HN          5.50    (#   1657:15  Unique         3.20, 3.78 A
)
 &rst
  ixpk= 1657, nxpk= 15, iat=1103,1394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 VAL  MGY          95 ILE  HN          4.50    (#   1658:15  Unique         3.69, 5.36 A
)
 &rst
  ixpk= 1658, nxpk= 15, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   77 ILE  QD1          96 PHE  HN          5.50    (#   1660:15  Unique         4.21, 5.40 A
)
 &rst
  ixpk= 1660, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1144,1145,1146,
 &end
#
#   75 VAL  MGY          96 PHE  HN          5.50    (#   1661:15  Unique         4.67, 7.11 A
)
 &rst
  ixpk= 1661, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1105,1106,1107,1109,1110,1111,
 &end
#
#   95 ILE  HG1+         96 PHE  HN          4.50    (#   1663:15  Unique         4.19, 4.74 A
)
 &rst
  ixpk= 1663, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1404,1405,
 &end
#
#   95 ILE  HG1-         96 PHE  HN          4.50    (#   1664:15  Unique         4.19, 4.74 A
)
 &rst
  ixpk= 1664, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1404,1405,
 &end
#
#    0 AMB  15-2:1665    96 PHE  HN          4.50    (#   1665:15  Single Ambig
)
 &rst
  ixpk= 1665, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1398,1366,1367,1960,1961,
 &end
#
#    0 AMB  15-2:1666    96 PHE  HN          5.50    (#   1666:15  Single Ambig
)
 &rst
  ixpk= 1666, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1440,1441,1437,1438,
 &end
#
#   97 GLU  HG-          96 PHE  HN          5.50    (#   1667:15  Unique         3.79, 4.75 A
)
 &rst
  ixpk= 1667, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1440,1441,
 &end
#
#   96 PHE  HD           96 PHE  HN          4.50    (#   1670:15  Unique         4.40, 4.93 A
)
 &rst
  ixpk= 1670, nxpk= 15, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1421,1429,
 &end
#
#   97 GLU  HN           96 PHE  HN          5.50    (#   1671:15  Unique         4.13, 4.18 A
)
 &rst
  ixpk= 1671, nxpk= 15, iat=1433,1413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ILE  HN           96 PHE  HN          5.50    (#   1672:15  Unique         4.24, 4.36 A
)
 &rst
  ixpk= 1672, nxpk= 15, iat=1394,1413, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HD1          97 GLU  HN          5.50    (#   1673:15  Unique         5.36, 5.52 A
)
 &rst
  ixpk= 1673, nxpk= 15, iat=1468,1433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 ASP  HA           97 GLU  HN          5.50    (#   1674:15  Unique         4.38, 4.44 A
)
 &rst
  ixpk= 1674, nxpk= 15, iat=1450,1433, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 PHE  HB+          97 GLU  HN          4.50    (#   1676:15  Unique         3.92, 3.99 A
)
 &rst
  ixpk= 1676, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1417,1418,
 &end
#
#   96 PHE  HB-          97 GLU  HN          4.50    (#   1677:15  Unique         3.92, 3.99 A
)
 &rst
  ixpk= 1677, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1417,1418,
 &end
#
#   97 GLU  HG-          97 GLU  HN          4.50    (#   1678:15  Unique         3.70, 4.20 A
)
 &rst
  ixpk= 1678, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1440,1441,
 &end
#
#   76 VAL  MGY          97 GLU  HN          5.50    (#   1679:15  Unique         4.80, 7.01 A
)
 &rst
  ixpk= 1679, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:1680    97 GLU  HN          5.50    (#   1680:15  Single Ambig
)
 &rst
  ixpk= 1680, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1141,1142,1105,1106,1107,1109,1110,1111,
 &end
#
#   77 ILE  HG1+         97 GLU  HN          5.50    (#   1681:15  Unique         4.99, 5.45 A
)
 &rst
  ixpk= 1681, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1141,1142,
 &end
#
#   77 ILE  QG2          97 GLU  HN          5.50    (#   1682:15  Unique         3.95, 5.21 A
)
 &rst
  ixpk= 1682, nxpk= 15, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1137,1138,1139,
 &end
#
#    0 AMB  15-2:1684   103 ASP  HN          5.50    (#   1684:15  Single Ambig
)
 &rst
  ixpk= 1684, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,
 &end
#
#   97 GLU  HN           98 ASP  HN          4.50    (#   1685:15  Unique         3.99, 4.13 A
)
 &rst
  ixpk= 1685, nxpk= 15, iat=1433,1448, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HE1          98 ASP  HN          5.50    (#   1686:15  Unique         4.93, 5.40 A
)
 &rst
  ixpk= 1686, nxpk= 15, iat=1470,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HN           98 ASP  HN          5.50    (#   1687:15  Unique         3.75, 4.03 A
)
 &rst
  ixpk= 1687, nxpk= 15, iat=1460,1448, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ILE  QD1          98 ASP  HN          5.50    (#   1688:15  Unique         5.44, 6.43 A
)
 &rst
  ixpk= 1688, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1144,1145,1146,
 &end
#
#  113 ARG  HG+         114 THR  HN          5.50    (#   1689:15  Unique         4.48, 4.87 A
)
 &rst
  ixpk= 1689, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1685,1686,
 &end
#
#   77 ILE  QG2          99 TRP  HN          4.50    (#   1690:15  Unique         3.34, 4.16 A
)
 &rst
  ixpk= 1690, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1137,1138,1139,
 &end
#
#   79 LEU  MDX          99 TRP  HN          5.50    (#   1691:15  Unique         2.55, 5.62 A
)
 &rst
  ixpk= 1691, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1170,1171,1172,1174,1175,1176,
 &end
#
#   79 LEU  HG           99 TRP  HN          5.50    (#   1692:15  Unique         3.04, 3.61 A
)
 &rst
  ixpk= 1692, nxpk= 15, iat=1168,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1695    99 TRP  HN          5.50    (#   1695:15  Single Ambig
)
 &rst
  ixpk= 1695, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1488,1489,1843,1844,
 &end
#
#   98 ASP  HB-          99 TRP  HN          5.50    (#   1696:15  Unique         4.10, 4.41 A
)
 &rst
  ixpk= 1696, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1452,1453,
 &end
#
#   98 ASP  HB+          99 TRP  HN          5.50    (#   1697:15  Unique         4.10, 4.41 A
)
 &rst
  ixpk= 1697, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1452,1453,
 &end
#
#   78 SER  HB-          99 TRP  HN          5.50    (#   1698:15  Unique         3.56, 4.70 A
)
 &rst
  ixpk= 1698, nxpk= 15, iat=  -1,1460, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1154,1155,
 &end
#
#   99 TRP  HD1          99 TRP  HN          4.50    (#   1701:15  Unique         2.11, 3.00 A
)
 &rst
  ixpk= 1701, nxpk= 15, iat=1468,1460, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 ASP  HN           99 TRP  HN          5.50    (#   1703:15  Unique         3.75, 4.03 A
)
 &rst
  ixpk= 1703, nxpk= 15, iat=1448,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 SER  HN           99 TRP  HN          4.50    (#   1704:15  Unique         3.71, 3.97 A
)
 &rst
  ixpk= 1704, nxpk= 15, iat=1150,1460, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 TRP  HN          100 GLN  HN          5.50    (#   1705:15  Unique         3.67, 4.30 A
)
 &rst
  ixpk= 1705, nxpk= 15, iat=1460,1484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  101 LEU  HN          100 GLN  HN          5.50    (#   1706:15  Unique         3.81, 4.11 A
)
 &rst
  ixpk= 1706, nxpk= 15, iat=1501,1484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HD1         100 GLN  HN          5.50    (#   1707:15  Unique         4.37, 4.68 A
)
 &rst
  ixpk= 1707, nxpk= 15, iat=1468,1484, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HB+         100 GLN  HN          5.50    (#   1708:15  Unique         2.66, 3.86 A
)
 &rst
  ixpk= 1708, nxpk= 15, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#   99 TRP  HB-         100 GLN  HN          5.50    (#   1709:15  Unique         2.66, 3.86 A
)
 &rst
  ixpk= 1709, nxpk= 15, iat=  -1,1484, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1464,1465,
 &end
#
#  101 LEU  MDX         101 LEU  HN          4.50    (#   1710:15  Unique         3.41, 4.73 A
)
 &rst
  ixpk= 1710, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1510,1511,1512,1514,1515,1516,
 &end
#
#  101 LEU  HG          101 LEU  HN          4.50    (#   1711:15  Unique         3.58, 4.69 A
)
 &rst
  ixpk= 1711, nxpk= 15, iat=1508,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 GLN  HG-         101 LEU  HN          4.50    (#   1713:15  Unique         3.54, 4.02 A
)
 &rst
  ixpk= 1713, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1491,1492,
 &end
#
#  103 ASP  HB+         101 LEU  HN          5.50    (#   1714:15  Unique         5.54, 6.28 A
)
 &rst
  ixpk= 1714, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1539,1540,
 &end
#
#   81 GLY  HA-         101 LEU  HN          4.50    (#   1715:15  Unique         2.40, 3.69 A
)
 &rst
  ixpk= 1715, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1193,1194,
 &end
#
#   81 GLY  HA+         101 LEU  HN          5.50    (#   1717:15  Unique         2.40, 3.69 A
)
 &rst
  ixpk= 1717, nxpk= 15, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1193,1194,
 &end
#
#   79 LEU  HA          101 LEU  HN          5.50    (#   1718:15  Unique         4.36, 4.92 A
)
 &rst
  ixpk= 1718, nxpk= 15, iat=1163,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 GLN  HN          101 LEU  HN          5.50    (#   1719:15  Unique         3.81, 4.11 A
)
 &rst
  ixpk= 1719, nxpk= 15, iat=1484,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLU  HN          101 LEU  HN          5.50    (#   1720:15  Unique         4.35, 4.40 A
)
 &rst
  ixpk= 1720, nxpk= 15, iat=1520,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   81 GLY  HN          101 LEU  HN          5.50    (#   1721:15  Unique         3.41, 4.98 A
)
 &rst
  ixpk= 1721, nxpk= 15, iat=1191,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  101 LEU  HN          102 GLU  HN          5.50    (#   1722:15  Unique         4.35, 4.40 A
)
 &rst
  ixpk= 1722, nxpk= 15, iat=1501,1520, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1724   102 GLU  HN          5.50    (#   1724:15  Single Ambig
)
 &rst
  ixpk= 1724, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,1644, 229,
 &end
#
#    0 AMB  15-2:1726   102 GLU  HN          5.50    (#   1726:15  Single Ambig
)
 &rst
  ixpk= 1726, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1491,1492,1646,
 &end
#
#  104 PRO  HG-         102 GLU  HN          5.50    (#   1727:15  Unique         5.08, 6.00 A
)
 &rst
  ixpk= 1727, nxpk= 15, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1551,1552,
 &end
#
#   77 ILE  QG2          98 ASP  HN          5.50    (#   1728:15  Unique         5.21, 6.43 A
)
 &rst
  ixpk= 1728, nxpk= 15, iat=  -1,1448, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1137,1138,1139,
 &end
#
#  111 VAL  MGX         103 ASP  HN          5.50    (#   1729:15  Unique         5.83, 7.35 A
)
 &rst
  ixpk= 1729, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#  104 PRO  HB-         105 ASP  HN          5.50    (#   1730:15  Unique         3.41, 4.06 A
)
 &rst
  ixpk= 1730, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1554,1555,
 &end
#
#  104 PRO  HB+         105 ASP  HN          5.50    (#   1731:15  Unique         3.41, 4.06 A
)
 &rst
  ixpk= 1731, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1554,1555,
 &end
#
#  104 PRO  HG+         105 ASP  HN          4.50    (#   1732:15  Unique         4.91, 5.07 A
)
 &rst
  ixpk= 1732, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#  104 PRO  HG-         105 ASP  HN          4.50    (#   1733:15  Unique         4.91, 5.07 A
)
 &rst
  ixpk= 1733, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1551,1552,
 &end
#
#    0 AMB  15-2:1734   105 ASP  HN          5.50    (#   1734:15  Single Ambig
)
 &rst
  ixpk= 1734, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1587,1588,1584,1585,
 &end
#
#    0 AMB  15-2:1736   105 ASP  HN          5.50    (#   1736:15  Single Ambig
)
 &rst
  ixpk= 1736, nxpk= 15, iat=  -1,1561, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 220, 221,1539,1540,
 &end
#
#  104 PRO  HA          105 ASP  HN          4.50    (#   1737:15  Unique         3.34, 3.41 A
)
 &rst
  ixpk= 1737, nxpk= 15, iat=1557,1561, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  103 ASP  HA          105 ASP  HN          4.50    (#   1738:15  Unique         3.76, 3.84 A
)
 &rst
  ixpk= 1738, nxpk= 15, iat=1537,1561, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  106 GLY  HN          105 ASP  HN          5.50    (#   1739:15  Unique         3.98, 4.16 A
)
 &rst
  ixpk= 1739, nxpk= 15, iat=1573,1561, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  108 SER  HN          107 GLN  HN          4.50    (#   1740:15  Unique         4.48, 4.51 A
)
 &rst
  ixpk= 1740, nxpk= 15, iat=1597,1580, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  107 GLN  HE2+        107 GLN  HN          5.50    (#   1741:15  Unique         4.47, 5.13 A
)
 &rst
  ixpk= 1741, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1592,1593,
 &end
#
#  112 PHE  HE          107 GLN  HN          5.50    (#   1742:15  Unique         2.27, 4.03 A
)
 &rst
  ixpk= 1742, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1668,1672,
 &end
#
#   43 HIS  HE1         107 GLN  HN          5.50    (#   1743:15  Unique         3.41, 3.80 A
)
 &rst
  ixpk= 1743, nxpk= 15, iat= 653,1580, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  105 ASP  HB+         107 GLN  HN          5.50    (#   1744:15  Unique         5.55, 5.90 A
)
 &rst
  ixpk= 1744, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1565,1566,
 &end
#
#  105 ASP  HB-         107 GLN  HN          5.50    (#   1745:15  Unique         5.55, 5.90 A
)
 &rst
  ixpk= 1745, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1565,1566,
 &end
#
#  111 VAL  MGX         107 GLN  HN          5.50    (#   1747:15  Unique         5.30, 6.55 A
)
 &rst
  ixpk= 1747, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  15-2:1748   107 GLN  HN          5.50    (#   1748:15  Single Ambig
)
 &rst
  ixpk= 1748, nxpk= 15, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1554,1555, 680, 681, 682,
 &end
#
#   45 THR  MG2         109 LEU  HN          5.50    (#   1749:15  Unique         5.24, 6.21 A
)
 &rst
  ixpk= 1749, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 680, 681, 682,
 &end
#
#    0 AMB  15-2:1751   109 LEU  HN          5.50    (#   1751:15  Single Ambig
)
 &rst
  ixpk= 1751, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1631,1632,1685,1686,
 &end
#
#  112 PHE  HB+         109 LEU  HN          5.50    (#   1752:15  Unique         4.65, 5.56 A
)
 &rst
  ixpk= 1752, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  112 PHE  HD          109 LEU  HN          5.50    (#   1753:15  Unique         4.09, 6.16 A
)
 &rst
  ixpk= 1753, nxpk= 15, iat=  -1,1608, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1666,1674,
 &end
#
#  111 VAL  HN          109 LEU  HN          5.50    (#   1754:15  Unique         4.29, 4.36 A
)
 &rst
  ixpk= 1754, nxpk= 15, iat=1642,1608, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HN          109 LEU  HN          5.50    (#   1755:15  Unique         4.81, 4.83 A
)
 &rst
  ixpk= 1755, nxpk= 15, iat=1658,1608, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HD          110 GLU  HN          5.50    (#   1760:15  Unique         5.17, 6.90 A
)
 &rst
  ixpk= 1760, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1666,1674,
 &end
#
#  112 PHE  HB+         110 GLU  HN          5.50    (#   1761:15  Unique         4.69, 5.61 A
)
 &rst
  ixpk= 1761, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  113 ARG  HD+         110 GLU  HN          5.50    (#   1762:15  Unique         4.30, 5.75 A
)
 &rst
  ixpk= 1762, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1688,1689,
 &end
#
#  109 LEU  MDX         110 GLU  HN          5.50    (#   1763:15  Unique         5.14, 5.91 A
)
 &rst
  ixpk= 1763, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#  109 LEU  MDY         110 GLU  HN          5.50    (#   1764:15  Unique         5.14, 5.91 A
)
 &rst
  ixpk= 1764, nxpk= 15, iat=  -1,1627, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  15-2:1766   111 VAL  HN          5.50    (#   1766:15  Single Ambig
)
 &rst
  ixpk= 1766, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1612,1613,1685,1686,
 &end
#
#    0 AMB  15-2:1767   111 VAL  HN          5.50    (#   1767:15  Single Ambig
)
 &rst
  ixpk= 1767, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1615,1524,1525,
 &end
#
#  112 PHE  HB-         111 VAL  HN          5.50    (#   1769:15  Unique         4.20, 5.04 A
)
 &rst
  ixpk= 1769, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  112 PHE  HB+         111 VAL  HN          5.50    (#   1770:15  Unique         4.20, 5.04 A
)
 &rst
  ixpk= 1770, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  112 PHE  HD          111 VAL  HN          4.50    (#   1772:15  Unique         4.42, 5.95 A
)
 &rst
  ixpk= 1772, nxpk= 15, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1666,1674,
 &end
#
#  109 LEU  HN          111 VAL  HN          5.50    (#   1774:15  Unique         4.29, 4.36 A
)
 &rst
  ixpk= 1774, nxpk= 15, iat=1608,1642, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 ARG  HN          111 VAL  HN          4.50    (#   1775:15  Unique         4.15, 4.27 A
)
 &rst
  ixpk= 1775, nxpk= 15, iat=1678,1642, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1777   112 PHE  HN          5.50    (#   1777:15  Single Ambig
)
 &rst
  ixpk= 1777, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1601,1602,1599,
 &end
#
#  114 THR  HB          112 PHE  HN          5.50    (#   1778:15  Unique         5.11, 5.25 A
)
 &rst
  ixpk= 1778, nxpk= 15, iat=1706,1658, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 PRO  HA          112 PHE  HN          5.50    (#   1779:15  Unique         5.04, 5.20 A
)
 &rst
  ixpk= 1779, nxpk= 15, iat=1557,1658, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 MET  HG+         112 PHE  HN          5.50    (#   1780:15  Unique         5.29, 5.83 A
)
 &rst
  ixpk= 1780, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 734, 735,
 &end
#
#    0 AMB  15-2:1781   112 PHE  HN          5.50    (#   1781:15  Single Ambig
)
 &rst
  ixpk= 1781, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1682,1683,1612,1613,1615,
 &end
#
#    0 AMB  15-2:1782   112 PHE  HN          5.50    (#   1782:15  Single Ambig
)
 &rst
  ixpk= 1782, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1685,1686,1612,1613,
 &end
#
#    0 AMB  15-2:1783   112 PHE  HN          4.50    (#   1783:15  Single Ambig
)
 &rst
  ixpk= 1783, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1554,1555, 680, 681, 682,
 &end
#
#  109 LEU  MDY         113 ARG  HN          5.50    (#   1784:15  Unique         5.25, 6.68 A
)
 &rst
  ixpk= 1784, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1617,1618,1619,1621,1622,1623,
 &end
#
#    0 AMB  15-2:1785   113 ARG  HN          5.50    (#   1785:15  Single Ambig
)
 &rst
  ixpk= 1785, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1=1554,1555,1722,1723,1724,1726,1727,1728,1722,1723,
      1724,1726,1727,1728,
 &end
#
#    0 AMB  15-2:1786   113 ARG  HN          4.50    (#   1786:15  Single Ambig
)
 &rst
  ixpk= 1786, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 734, 735,1736,1737,
 &end
#
#    0 AMB  15-2:1787   113 ARG  HN          5.50    (#   1787:15  Single Ambig
)
 &rst
  ixpk= 1787, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 731, 732,1634,1635,1584,1585,
 &end
#
#  114 THR  HB          113 ARG  HN          5.50    (#   1788:15  Unique         4.85, 5.05 A
)
 &rst
  ixpk= 1788, nxpk= 15, iat=1706,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HD          113 ARG  HN          4.50    (#   1790:15  Unique         4.80, 5.07 A
)
 &rst
  ixpk= 1790, nxpk= 15, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1666,1674,
 &end
#
#  111 VAL  HN          113 ARG  HN          5.50    (#   1791:15  Unique         4.15, 4.27 A
)
 &rst
  ixpk= 1791, nxpk= 15, iat=1642,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1793   114 THR  HN          5.50    (#   1793:15  Single Ambig
)
 &rst
  ixpk= 1793, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1756,1763,
 &end
#
#  111 VAL  HN          114 THR  HN          5.50    (#   1794:15  Unique         4.62, 4.68 A
)
 &rst
  ixpk= 1794, nxpk= 15, iat=1642,1702, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HB+         114 THR  HN          5.50    (#   1796:15  Unique         5.11, 5.29 A
)
 &rst
  ixpk= 1796, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  113 ARG  HD+         114 THR  HN          5.50    (#   1797:15  Unique         5.26, 5.79 A
)
 &rst
  ixpk= 1797, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1688,1689,
 &end
#
#  112 PHE  HB-         114 THR  HN          5.50    (#   1798:15  Unique         5.11, 5.29 A
)
 &rst
  ixpk= 1798, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1662,1663,
 &end
#
#  111 VAL  HB          114 THR  HN          5.50    (#   1799:15  Unique         5.56, 5.59 A
)
 &rst
  ixpk= 1799, nxpk= 15, iat=1646,1702, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 VAL  MGX         114 THR  HN          5.50    (#   1800:15  Unique         5.33, 6.16 A
)
 &rst
  ixpk= 1800, nxpk= 15, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1648,1649,1650,1652,1653,1654,
 &end
#
#    0 AMB  15-2:1802   115 VAL  HN          5.50    (#   1802:15  Single Ambig
)
 &rst
  ixpk= 1802, nxpk= 15, iat=  -1,1716, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1756,1763,
 &end
#
#  112 PHE  HN          115 VAL  HN          5.50    (#   1803:15  Unique         4.81, 4.86 A
)
 &rst
  ixpk= 1803, nxpk= 15, iat=1658,1716, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 GLY  HN          116 ARG  HN          2.80    (#   1805:15  Unique         2.82, 2.84 A
)
 &rst
  ixpk= 1805, nxpk= 15, iat=1756,1732, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 PHE  HD          116 ARG  HN          5.50    (#   1810:15  Unique         5.01, 6.40 A
)
 &rst
  ixpk= 1810, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1666,1674,
 &end
#
#  114 THR  HB          116 ARG  HN          5.50    (#   1812:15  Unique         4.99, 5.09 A
)
 &rst
  ixpk= 1812, nxpk= 15, iat=1706,1732, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 ARG  HA          116 ARG  HN          3.50    (#   1813:15  Unique         3.27, 3.45 A
)
 &rst
  ixpk= 1813, nxpk= 15, iat=1680,1732, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 PHE  HA          116 ARG  HN          4.50    (#   1814:15  Unique         3.80, 3.85 A
)
 &rst
  ixpk= 1814, nxpk= 15, iat=1660,1732, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 ARG  HD+         116 ARG  HN          5.50    (#   1815:15  Unique         5.13, 5.63 A
)
 &rst
  ixpk= 1815, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1742,1743,
 &end
#
#    0 AMB  15-2:1816   116 ARG  HN          4.50    (#   1816:15  Single Ambig
)
 &rst
  ixpk= 1816, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1662,1663,1742,1743,
 &end
#
#  113 ARG  HG+         116 ARG  HN          5.50    (#   1817:15  Unique         5.52, 5.89 A
)
 &rst
  ixpk= 1817, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1685,1686,
 &end
#
#   49 MET  HB+         116 ARG  HN          5.50    (#   1818:15  Unique         4.47, 5.36 A
)
 &rst
  ixpk= 1818, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 731, 732,
 &end
#
#    0 AMB  15-2:1819   116 ARG  HN          4.50    (#   1819:15  Single Ambig
)
 &rst
  ixpk= 1819, nxpk= 15, iat=  -1,1732, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1551,1552,1786,1787,1788,1790,1791,1792,
 &end
#
#  120 LYS  HB-         117 GLY  HN          5.50    (#   1820:15  Unique         5.18, 5.60 A
)
 &rst
  ixpk= 1820, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1800,1801,
 &end
#
#    0 AMB  15-2:1821   117 GLY  HN          4.50    (#   1821:15  Single Ambig
)
 &rst
  ixpk= 1821, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
 igr1=1722,1723,1724,1726,1727,1728,1722,1723,1724,1726,
      1727,1728,1508,
 &end
#
#  114 THR  MG2         117 GLY  HN          5.50    (#   1822:15  Unique         5.75, 6.39 A
)
 &rst
  ixpk= 1822, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1708,1709,1710,
 &end
#
#  120 LYS  HB+         117 GLY  HN          5.50    (#   1823:15  Unique         5.18, 5.60 A
)
 &rst
  ixpk= 1823, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1800,1801,
 &end
#
#  116 ARG  HG+         117 GLY  HN          4.50    (#   1824:15  Unique         3.17, 4.66 A
)
 &rst
  ixpk= 1824, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1739,1740,
 &end
#
#  113 ARG  HG-         117 GLY  HN          5.50    (#   1825:15  Unique         5.77, 6.26 A
)
 &rst
  ixpk= 1825, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1685,1686,
 &end
#
#  116 ARG  HD-         117 GLY  HN          5.50    (#   1827:15  Unique         3.78, 4.78 A
)
 &rst
  ixpk= 1827, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1742,1743,
 &end
#
#    0 AMB  15-2:1833   117 GLY  HN          5.50    (#   1833:15  Single Ambig
)
 &rst
  ixpk= 1833, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 338, 342,1818,
 &end
#
#  119 VAL  HN          117 GLY  HN          4.50    (#   1834:15  Unique         4.24, 4.33 A
)
 &rst
  ixpk= 1834, nxpk= 15, iat=1780,1756, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 THR  HN          117 GLY  HN          5.50    (#   1835:15  Unique         4.78, 4.97 A
)
 &rst
  ixpk= 1835, nxpk= 15, iat=1702,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 ARG  HN          118 GLN  HN          5.50    (#   1836:15  Unique         4.33, 4.44 A
)
 &rst
  ixpk= 1836, nxpk= 15, iat=1732,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 GLU  HN          118 GLN  HN          5.50    (#   1837:15  Unique         4.74, 4.88 A
)
 &rst
  ixpk= 1837, nxpk= 15, iat=1818,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 GLN  HE2+        118 GLN  HN          5.50    (#   1838:15  Unique         2.42, 5.16 A
)
 &rst
  ixpk= 1838, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1775,1776,
 &end
#
#  119 VAL  HA          118 GLN  HN          5.50    (#   1839:15  Unique         5.42, 5.45 A
)
 &rst
  ixpk= 1839, nxpk= 15, iat=1782,1763, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LYS  HB+         118 GLN  HN          5.50    (#   1840:15  Unique         5.27, 5.90 A
)
 &rst
  ixpk= 1840, nxpk= 15, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1800,1801,
 &end
#
#  120 LYS  HB+         119 VAL  HN          5.50    (#   1842:15  Unique         4.77, 5.18 A
)
 &rst
  ixpk= 1842, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1800,1801,
 &end
#
#    0 AMB  15-2:1843   119 VAL  HN          5.50    (#   1843:15  Single Ambig
)
 &rst
  ixpk= 1843, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 290, 291, 292,1825,1826,
 &end
#
#    0 AMB  15-2:1844   119 VAL  HN          2.80    (#   1844:15  Single Ambig
)
 &rst
  ixpk= 1844, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1784,1767,1768,
 &end
#
#    0 AMB  15-2:1845   119 VAL  HN          5.50    (#   1845:15  Single Ambig
)
 &rst
  ixpk= 1845, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1742,1743,1464,1465,
 &end
#
#    0 AMB  15-2:1847   119 VAL  HN          4.50    (#   1847:15  Single Ambig
)
 &rst
  ixpk= 1847, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1818, 338, 342,
 &end
#
#    0 AMB  15-2:1848   120 LYS  HN          5.50    (#   1848:15  Single Ambig
)
 &rst
  ixpk= 1848, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1809,1810, 332, 333,
 &end
#
#  116 ARG  HD-         120 LYS  HN          5.50    (#   1849:15  Unique         4.33, 5.56 A
)
 &rst
  ixpk= 1849, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1742,1743,
 &end
#
#  116 ARG  HG+         120 LYS  HN          5.50    (#   1850:15  Unique         3.88, 5.47 A
)
 &rst
  ixpk= 1850, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1739,1740,
 &end
#
#  122 ARG  HD+         120 LYS  HN          5.50    (#   1851:15  Unique         5.61, 6.50 A
)
 &rst
  ixpk= 1851, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1843,1844,
 &end
#
#  122 ARG  HB-         121 GLU  HN          5.50    (#   1852:15  Unique         4.81, 5.64 A
)
 &rst
  ixpk= 1852, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1837,1838,
 &end
#
#  120 LYS  HG+         121 GLU  HN          5.50    (#   1853:15  Unique         3.31, 4.12 A
)
 &rst
  ixpk= 1853, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1803,1804,
 &end
#
#    0 AMB  15-2:1854   121 GLU  HN          4.50    (#   1854:15  Single Ambig
)
 &rst
  ixpk= 1854, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1=1840,1841,1786,1787,1788,1790,1791,1792, 403, 404,
       405, 407, 408, 409,
 &end
#
#  122 ARG  HG+         121 GLU  HN          5.50    (#   1855:15  Unique         4.60, 5.65 A
)
 &rst
  ixpk= 1855, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1840,1841,
 &end
#
#    0 AMB  15-2:1856   121 GLU  HN          5.50    (#   1856:15  Single Ambig
)
 &rst
  ixpk= 1856, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1784,1767,1768,
 &end
#
#    0 AMB  15-2:1857   121 GLU  HN          5.50    (#   1857:15  Single Ambig
)
 &rst
  ixpk= 1857, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1809,1810,1742,1743,
 &end
#
#  119 VAL  HA          121 GLU  HN          5.50    (#   1858:15  Unique         4.44, 4.65 A
)
 &rst
  ixpk= 1858, nxpk= 15, iat=1782,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 ARG  HA          121 GLU  HN          5.50    (#   1859:15  Unique         5.28, 5.36 A
)
 &rst
  ixpk= 1859, nxpk= 15, iat=1835,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 GLY  HA-         121 GLU  HN          4.50    (#   1860:15  Unique         3.89, 4.49 A
)
 &rst
  ixpk= 1860, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1758,1759,
 &end
#
#    0 AMB  15-2:1861   121 GLU  HN          5.50    (#   1861:15  Single Ambig
)
 &rst
  ixpk= 1861, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1763,1756,
 &end
#
#  119 VAL  HN          121 GLU  HN          5.50    (#   1862:15  Unique         4.21, 4.32 A
)
 &rst
  ixpk= 1862, nxpk= 15, iat=1780,1818, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LYS  HN          122 ARG  HN          5.50    (#   1863:15  Unique         3.94, 4.12 A
)
 &rst
  ixpk= 1863, nxpk= 15, iat=1796,1833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1864   122 ARG  HN          5.50    (#   1864:15  Single Ambig
)
 &rst
  ixpk= 1864, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1888,1763,
 &end
#
#    0 AMB  15-2:1867   122 ARG  HN          5.50    (#   1867:15  Single Ambig
)
 &rst
  ixpk= 1867, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1859,1758,1759,
 &end
#
#    0 AMB  15-2:1868   122 ARG  HN          5.50    (#   1868:15  Single Ambig
)
 &rst
  ixpk= 1868, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1892,1893,1809,1810,
 &end
#
#  120 LYS  HA          122 ARG  HN          5.50    (#   1869:15  Unique         4.29, 4.38 A
)
 &rst
  ixpk= 1869, nxpk= 15, iat=1798,1833, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1870   122 ARG  HN          5.50    (#   1870:15  Single Ambig
)
 &rst
  ixpk= 1870, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1767,1768,1784,
 &end
#
#  123 VAL  MGY         122 ARG  HN          4.50    (#   1871:15  Unique         4.52, 6.35 A
)
 &rst
  ixpk= 1871, nxpk= 15, iat=  -1,1833, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1863,1864,1865,1867,1868,1869,
 &end
#
#  120 LYS  HG+         123 VAL  HN          5.50    (#   1873:15  Unique         5.24, 5.45 A
)
 &rst
  ixpk= 1873, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1803,1804,
 &end
#
#    0 AMB  15-2:1874   123 VAL  HN          5.50    (#   1874:15  Single Ambig
)
 &rst
  ixpk= 1874, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 300, 301, 302,1141,1142,
 &end
#
#  122 ARG  HG+         123 VAL  HN          4.50    (#   1875:15  Unique         4.32, 5.02 A
)
 &rst
  ixpk= 1875, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1840,1841,
 &end
#
#  126 LEU  HG          123 VAL  HN          5.50    (#   1876:15  Unique         5.58, 5.66 A
)
 &rst
  ixpk= 1876, nxpk= 15, iat=1909,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1877   123 VAL  HN          4.50    (#   1877:15  Single Ambig
)
 &rst
  ixpk= 1877, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1877,1878,1822,1823,1925,
 &end
#
#    0 AMB  15-2:1878   123 VAL  HN          4.50    (#   1878:15  Single Ambig
)
 &rst
  ixpk= 1878, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1906,1907,1843,1844,
 &end
#
#  125 ASN  HB+         123 VAL  HN          5.50    (#   1880:15  Unique         5.09, 5.50 A
)
 &rst
  ixpk= 1880, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#  119 VAL  HA          123 VAL  HN          4.50    (#   1881:15  Unique         3.89, 4.03 A
)
 &rst
  ixpk= 1881, nxpk= 15, iat=1782,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 GLU  HA          123 VAL  HN          5.50    (#   1882:15  Unique         4.57, 4.67 A
)
 &rst
  ixpk= 1882, nxpk= 15, iat=1820,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1883   123 VAL  HN          5.50    (#   1883:15  Single Ambig
)
 &rst
  ixpk= 1883, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 110, 106, 114,
 &end
#
#   21 PHE  HD          123 VAL  HN          5.50    (#   1884:15  Unique         5.04, 6.89 A
)
 &rst
  ixpk= 1884, nxpk= 15, iat=  -1,1857, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 336, 344,
 &end
#
#  125 ASN  HN          123 VAL  HN          4.50    (#   1885:15  Unique         4.12, 4.22 A
)
 &rst
  ixpk= 1885, nxpk= 15, iat=1888,1857, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  126 LEU  HN          123 VAL  HN          5.50    (#   1886:15  Unique         4.64, 4.68 A
)
 &rst
  ixpk= 1886, nxpk= 15, iat=1902,1857, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  126 LEU  HN          124 GLU  HN          5.50    (#   1887:15  Unique         4.13, 4.23 A
)
 &rst
  ixpk= 1887, nxpk= 15, iat=1902,1873, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1888   124 GLU  HN          4.50    (#   1888:15  Single Ambig
)
 &rst
  ixpk= 1888, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1833,1818,
 &end
#
#  122 ARG  HA          124 GLU  HN          5.50    (#   1890:15  Unique         4.33, 4.46 A
)
 &rst
  ixpk= 1890, nxpk= 15, iat=1835,1873, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:1891   124 GLU  HN          4.50    (#   1891:15  Single Ambig
)
 &rst
  ixpk= 1891, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1892,1893,1809,1810,
 &end
#
#   25 LEU  HB-         124 GLU  HN          5.50    (#   1892:15  Unique         5.63, 6.00 A
)
 &rst
  ixpk= 1892, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 398, 399,
 &end
#
#  127 ILE  QD1         124 GLU  HN          4.50    (#   1893:15  Unique         4.46, 5.55 A
)
 &rst
  ixpk= 1893, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1934,1935,1936,
 &end
#
#  120 LYS  HG+         124 GLU  HN          5.50    (#   1894:15  Unique         4.15, 4.56 A
)
 &rst
  ixpk= 1894, nxpk= 15, iat=  -1,1873, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1803,1804,
 &end
#
#    0 AMB  15-2:1895   125 ASN  HN          4.50    (#   1895:15  Single Ambig
)
 &rst
  ixpk= 1895, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1944,1945,1946,1909,1957,1958,
 &end
#
#    0 AMB  15-2:1896   125 ASN  HN          4.50    (#   1896:15  Single Ambig
)
 &rst
  ixpk= 1896, nxpk= 15, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1863,1864,1865,1867,1868,1869, 403, 404, 405, 407,
       408, 409,
 &end
#
#  121 GLU  HA          125 ASN  HN          4.50    (#   1897:15  Unique         3.89, 4.09 A
)
 &rst
  ixpk= 1897, nxpk= 15, iat=1820,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  128 ALA  HN          126 LEU  HN          4.50    (#   1898:15  Unique         3.79, 3.90 A
)
 &rst
  ixpk= 1898, nxpk= 15, iat=1940,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 ARG  HA          126 LEU  HN          4.50    (#   1900:15  Unique         3.75, 3.85 A
)
 &rst
  ixpk= 1900, nxpk= 15, iat=1835,1902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  15-2:1901   126 LEU  HN          5.50    (#   1901:15  Single Ambig
)
 &rst
  ixpk= 1901, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1877,1878,1861,1843,1844,
 &end
#
#    0 AMB  15-2:1902   126 LEU  HN          4.50    (#   1902:15  Single Ambig
)
 &rst
  ixpk= 1902, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1960,1961,1960,1961,
 &end
#
#    0 AMB  15-2:1903   126 LEU  HN          5.50    (#   1903:15  Single Ambig
)
 &rst
  ixpk= 1903, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1931,1932,1840,1841,
 &end
#
#    0 AMB  15-2:1904   126 LEU  HN          5.50    (#   1904:15  Single Ambig
)
 &rst
  ixpk= 1904, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1863,1864,1865,1867,1868,1869,1982,1983,
 &end
#
#    0 AMB  15-2:1905   126 LEU  HN          5.50    (#   1905:15  Single Ambig
)
 &rst
  ixpk= 1905, nxpk= 15, iat=  -1,1902, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1837,1838,1985,1986,1987,
 &end
#
#    0 AMB  15-2:1906   127 ILE  HN          5.50    (#   1906:15  Single Ambig
)
 &rst
  ixpk= 1906, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1982,1983,1863,1864,1865,1867,1868,1869,
 &end
#
#  125 ASN  HB+         127 ILE  HN          5.50    (#   1908:15  Unique         5.16, 5.58 A
)
 &rst
  ixpk= 1908, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#    0 AMB  15-2:1909   127 ILE  HN          5.50    (#   1909:15  Single Ambig
)
 &rst
  ixpk= 1909, nxpk= 15, iat=  -1,1921, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1473,1833,
 &end
#
#  125 ASN  HN          127 ILE  HN          5.50    (#   1910:15  Unique         4.26, 4.36 A
)
 &rst
  ixpk= 1910, nxpk= 15, iat=1888,1921, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  126 LEU  HN          128 ALA  HN          4.50    (#   1911:15  Unique         3.79, 3.90 A
)
 &rst
  ixpk= 1911, nxpk= 15, iat=1902,1940, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 ASN  HN          128 ALA  HN          5.50    (#   1912:15  Unique         4.57, 4.61 A
)
 &rst
  ixpk= 1912, nxpk= 15, iat=1888,1940, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 ASN  HB+         128 ALA  HN          5.50    (#   1913:15  Unique         5.07, 5.46 A
)
 &rst
  ixpk= 1913, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#  126 LEU  HB+         128 ALA  HN          5.50    (#   1914:15  Unique         5.33, 5.60 A
)
 &rst
  ixpk= 1914, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1906,1907,
 &end
#
#  129 LYS  HD+         128 ALA  HN          5.50    (#   1915:15  Unique         5.49, 6.32 A
)
 &rst
  ixpk= 1915, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1960,1961,
 &end
#
#  127 ILE  HG1+        128 ALA  HN          5.50    (#   1916:15  Unique         4.53, 4.87 A
)
 &rst
  ixpk= 1916, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1931,1932,
 &end
#
#    0 AMB  15-2:1917   128 ALA  HN          5.50    (#   1917:15  Single Ambig
)
 &rst
  ixpk= 1917, nxpk= 15, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#    0 AMB  15-2:1918   129 LYS  HN          5.50    (#   1918:15  Single Ambig
)
 &rst
  ixpk= 1918, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1985,1986,1987,1105,1106,1107,1109,1110,1111,
 &end
#
#    0 AMB  15-2:1919   129 LYS  HN          4.50    (#   1919:15  Single Ambig
)
 &rst
  ixpk= 1919, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#  130 ILE  HG1+        129 LYS  HN          5.50    (#   1920:15  Unique         3.41, 4.27 A
)
 &rst
  ixpk= 1920, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1982,1983,
 &end
#
#  129 LYS  HE+         129 LYS  HN          5.50    (#   1921:15  Unique         4.04, 4.76 A
)
 &rst
  ixpk= 1921, nxpk= 15, iat=  -1,1950, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1963,1964,
 &end
#
#  127 ILE  HA          129 LYS  HN          4.50    (#   1922:15  Unique         4.02, 4.09 A
)
 &rst
  ixpk= 1922, nxpk= 15, iat=1923,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  130 ILE  HA          129 LYS  HN          5.50    (#   1923:15  Unique         5.06, 5.10 A
)
 &rst
  ixpk= 1923, nxpk= 15, iat=1974,1950, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  127 ILE  HN          129 LYS  HN          4.50    (#   1925:15  Unique         4.28, 4.32 A
)
 &rst
  ixpk= 1925, nxpk= 15, iat=1921,1950, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  127 ILE  HN          130 ILE  HN          5.50    (#   1926:15  Unique         5.08, 5.16 A
)
 &rst
  ixpk= 1926, nxpk= 15, iat=1921,1972, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  128 ALA  HA          130 ILE  HN          5.50    (#   1928:15  Unique         3.97, 4.14 A
)
 &rst
  ixpk= 1928, nxpk= 15, iat=1942,1972, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  131 SER  HB-         130 ILE  HN          5.50    (#   1929:15  Unique         4.08, 4.94 A
)
 &rst
  ixpk= 1929, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1995,1996,
 &end
#
#   29 LYS  HE+         130 ILE  HN          5.50    (#   1930:15  Unique         5.75, 6.36 A
)
 &rst
  ixpk= 1930, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 450, 451,
 &end
#
#    0 AMB  15-2:1931   130 ILE  HN          5.50    (#   1931:15  Single Ambig
)
 &rst
  ixpk= 1931, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1931,1932,1398,
 &end
#
#  127 ILE  HG1+        130 ILE  HN          5.50    (#   1932:15  Unique         5.71, 6.03 A
)
 &rst
  ixpk= 1932, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1931,1932,
 &end
#
#    0 AMB  15-2:1933   130 ILE  HN          4.50    (#   1933:15  Single Ambig
)
 &rst
  ixpk= 1933, nxpk= 15, iat=  -1,1972, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#  130 ILE  QD1         131 SER  HN          4.50    (#   1934:15  Unique         4.57, 4.86 A
)
 &rst
  ixpk= 1934, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1985,1986,1987,
 &end
#
#   29 LYS  HE+         131 SER  HN          5.50    (#   1936:15  Unique         3.95, 4.57 A
)
 &rst
  ixpk= 1936, nxpk= 15, iat=  -1,1991, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 450, 451,
 &end
#
#  127 ILE  HA          131 SER  HN          4.50    (#   1937:15  Unique         3.65, 3.72 A
)
 &rst
  ixpk= 1937, nxpk= 15, iat=1923,1991, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 ALA  HN           90 TRP  HE1         5.50    (#   1938:15  Unique         3.95, 4.65 A
)
 &rst
  ixpk= 1938, nxpk= 15, iat=1032,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 TRP  HN           90 TRP  HE1         5.50    (#   1939:15  Unique         4.27, 5.12 A
)
 &rst
  ixpk= 1939, nxpk= 15, iat=1308,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 GLU  HA           90 TRP  HE1         5.50    (#   1941:15  Unique         4.76, 5.31 A
)
 &rst
  ixpk= 1941, nxpk= 15, iat= 971,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 ILE  HA           90 TRP  HE1         5.50    (#   1942:15  Unique         3.24, 4.31 A
)
 &rst
  ixpk= 1942, nxpk= 15, iat= 952,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 PRO  HD+          90 TRP  HE1         5.50    (#   1943:15  Unique         5.62, 6.04 A
)
 &rst
  ixpk= 1943, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1280,1281,
 &end
#
#    0 AMB  15-2:1944    90 TRP  HE1         5.50    (#   1944:15  Single Ambig
)
 &rst
  ixpk= 1944, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1312,1313,1280,1281,
 &end
#
#    0 AMB  15-2:1945    90 TRP  HE1         5.50    (#   1945:15  Single Ambig
)
 &rst
  ixpk= 1945, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1002,1003,1312,1313,
 &end
#
#    0 AMB  15-2:1948    90 TRP  HE1         5.50    (#   1948:15  Single Ambig
)
 &rst
  ixpk= 1948, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1= 954,1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:1949    90 TRP  HE1         5.50    (#   1949:15  Single Ambig
)
 &rst
  ixpk= 1949, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=  92,  93,  94,1255,1256,1257,1259,1260,1261,
 &end
#
#   65 ILE  QD1          90 TRP  HE1         3.50    (#   1950:15  Unique         2.32, 3.65 A
)
 &rst
  ixpk= 1950, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 963, 964, 965,
 &end
#
#    0 AMB  15-2:1951    76 VAL  HN          5.50    (#   1951:15  Single Ambig
)
 &rst
  ixpk= 1951, nxpk= 15, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  67,  83,
 &end
#
#   62 SER  HB+          42 VAL  HN          5.50    (#   1952:15  Unique         3.23, 4.41 A
)
 &rst
  ixpk= 1952, nxpk= 15, iat=  -1, 627, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 917, 918,
 &end
#
#  111 VAL  HN          108 SER  HN          5.50    (#   1953:15  Unique         3.77, 3.82 A
)
 &rst
  ixpk= 1953, nxpk= 15, iat=1642,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HD          108 SER  HN          5.50    (#   1954:15  Unique         4.24, 6.27 A
)
 &rst
  ixpk= 1954, nxpk= 15, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1666,1674,
 &end
#
#  109 LEU  HN          108 SER  HN          5.50    (#   1955:15  Unique         4.61, 4.63 A
)
 &rst
  ixpk= 1955, nxpk= 15, iat=1608,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 VAL  HA          108 SER  HN          5.50    (#   1957:15  Unique         5.58, 5.59 A
)
 &rst
  ixpk= 1957, nxpk= 15, iat=1644,1597, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   71 ASP  HB-          69 ASN  HD2-        4.50    (#   1958:15  Unique         3.58, 5.02 A
)
 &rst
  ixpk= 1958, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1046,1047,
 igr2=1027,1028,
 &end
#
#   85 ASN  HA           85 ASN  HD2-        3.50    (#   1959:15  Unique         2.16, 3.43 A
)
 &rst
  ixpk= 1959, nxpk= 15, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1241,1242,
 &end
#
#   69 ASN  HN           69 ASN  HD2-        5.50    (#   1960:15  Unique         2.21, 2.80 A
)
 &rst
  ixpk= 1960, nxpk= 15, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1027,1028,
 &end
#
#   71 ASP  HB-          93 GLN  HE2+        5.50    (#   1961:15  Unique         4.05, 5.87 A
)
 &rst
  ixpk= 1961, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1046,1047,
 igr2=1374,1375,
 &end
#
#    0 AMB  15-2:1962     0 AMB  15-1:1962   5.50    (#   1962:15  Double Ambig
)
 &rst
  ixpk= 1962, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1366,1367,1070,1071,
 igr2=1374,1375,1374,1375,
 &end
#
#   89 GLU  HA           93 GLN  HE2+        5.50    (#   1963:15  Unique         3.71, 4.83 A
)
 &rst
  ixpk= 1963, nxpk= 15, iat=1295,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1374,1375,
 &end
#
#   90 TRP  HA           93 GLN  HE2+        5.50    (#   1964:15  Unique         3.06, 4.18 A
)
 &rst
  ixpk= 1964, nxpk= 15, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1374,1375,
 &end
#
#   93 GLN  HA           93 GLN  HE2+        5.50    (#   1965:15  Unique         3.18, 3.82 A
)
 &rst
  ixpk= 1965, nxpk= 15, iat=1364,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1374,1375,
 &end
#
#   93 GLN  HN           93 GLN  HE2+        5.50    (#   1966:15  Unique         3.73, 4.55 A
)
 &rst
  ixpk= 1966, nxpk= 15, iat=1362,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1374,1375,
 &end
#
#    0 AMB  15-2:1967     0 AMB  15-1:1967   5.50    (#   1967:15  Double Ambig
)
 &rst
  ixpk= 1967, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1066,1054,
 igr2=1374,1375,1374,1375,
 &end
#
#   89 GLU  HB+          93 GLN  HE2+        4.50    (#   1968:15  Unique         2.48, 3.67 A
)
 &rst
  ixpk= 1968, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1297,1298,
 igr2=1374,1375,
 &end
#
#   76 VAL  MGX          93 GLN  HE2+        5.50    (#   1969:15  Unique         4.63, 7.17 A
)
 &rst
  ixpk= 1969, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1121,1122,1123,1125,1126,1127,
 igr2=1374,1375,
 &end
#
#   85 ASN  HN           85 ASN  HD2+        5.50    (#   1970:15  Unique         3.76, 4.95 A
)
 &rst
  ixpk= 1970, nxpk= 15, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#   85 ASN  HA           85 ASN  HD2+        4.50    (#   1971:15  Unique         2.16, 3.43 A
)
 &rst
  ixpk= 1971, nxpk= 15, iat=1234,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1241,1242,
 &end
#
#   85 ASN  HB-          85 ASN  HD2+        5.50    (#   1972:15  Unique         2.37, 3.44 A
)
 &rst
  ixpk= 1972, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1236,1237,
 igr2=1241,1242,
 &end
#
#   86 LEU  MDY          85 ASN  HD2+        5.50    (#   1973:15  Unique         6.00, 7.96 A
)
 &rst
  ixpk= 1973, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1241,1242,
 &end
#
#  121 GLU  HG+         125 ASN  HD2+        4.50    (#   1974:15  Unique         2.61, 4.75 A
)
 &rst
  ixpk= 1974, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1825,1826,
 igr2=1897,1898,
 &end
#
#  122 ARG  HA          125 ASN  HD2+        5.50    (#   1975:15  Unique         2.78, 4.37 A
)
 &rst
  ixpk= 1975, nxpk= 15, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1897,1898,
 &end
#
#  129 LYS  HE+         125 ASN  HD2+        5.50    (#   1976:15  Unique         4.90, 6.30 A
)
 &rst
  ixpk= 1976, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1963,1964,
 igr2=1897,1898,
 &end
#
#   31 ALA  HA           28 GLY  HN          5.50    (#   1978:15  Unique         4.59, 4.77 A
)
 &rst
  ixpk= 1978, nxpk= 15, iat= 480, 430, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 PRO  HG-          67 ASN  HD2+        4.50    (#   1979:15  Unique         2.57, 5.65 A
)
 &rst
  ixpk= 1979, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 940, 941,
 igr2= 993, 994,
 &end
#
#   64 PRO  HG+          67 ASN  HD2+        4.50    (#   1980:15  Unique         2.57, 5.65 A
)
 &rst
  ixpk= 1980, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 940, 941,
 igr2= 993, 994,
 &end
#
#   63 ASP  HB+          67 ASN  HD2+        5.50    (#   1981:15  Unique         3.62, 5.14 A
)
 &rst
  ixpk= 1981, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 928, 929,
 igr2= 993, 994,
 &end
#
#   67 ASN  HA           67 ASN  HD2+        5.50    (#   1982:15  Unique         4.19, 4.63 A
)
 &rst
  ixpk= 1982, nxpk= 15, iat= 986,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 993, 994,
 &end
#
#   63 ASP  HA           67 ASN  HD2+        5.50    (#   1983:15  Unique         4.38, 5.51 A
)
 &rst
  ixpk= 1983, nxpk= 15, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 993, 994,
 &end
#
#   82 CYS  HN           81 GLY  HN          4.50    (#   1987:15  Unique         2.22, 3.26 A
)
 &rst
  ixpk= 1987, nxpk= 15, iat=1198,1191, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 LEU  HN           81 GLY  HN          5.50    (#   1988:15  Unique         3.41, 4.98 A
)
 &rst
  ixpk= 1988, nxpk= 15, iat=1501,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LEU  HA           81 GLY  HN          5.50    (#   1990:15  Unique         3.36, 3.67 A
)
 &rst
  ixpk= 1990, nxpk= 15, iat=1163,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 GLN  HA           81 GLY  HN          4.50    (#   1992:15  Unique         2.44, 3.85 A
)
 &rst
  ixpk= 1992, nxpk= 15, iat=1486,1191, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 CYS  HB+          81 GLY  HN          3.50    (#   1994:15  Unique         2.53, 3.28 A
)
 &rst
  ixpk= 1994, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1184,1185,
 &end
#
#   80 CYS  HB-          81 GLY  HN          4.50    (#   1995:15  Unique         2.53, 3.28 A
)
 &rst
  ixpk= 1995, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1184,1185,
 &end
#
#   34 SER  HB+          11 ASN  HD2+        3.50    (#   1997:15  Unique         2.60, 4.65 A
)
 &rst
  ixpk= 1997, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 522, 523,
 igr2= 200, 201,
 &end
#
#   34 SER  HA           11 ASN  HD2+        5.50    (#   1998:15  Unique         4.19, 5.08 A
)
 &rst
  ixpk= 1998, nxpk= 15, iat= 520,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 200, 201,
 &end
#
#   16 GLN  HE2-         11 ASN  HD2+        5.50    (#   1999:15  Unique         2.23, 3.73 A
)
 &rst
  ixpk= 1999, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 274, 275,
 igr2= 200, 201,
 &end
#
#   11 ASN  HN           11 ASN  HD2+        5.50    (#   2000:15  Unique         4.18, 5.71 A
)
 &rst
  ixpk= 2000, nxpk= 15, iat= 191,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 200, 201,
 &end
#
#   11 ASN  HB+          11 ASN  HD2+        5.50    (#   2002:15  Unique         2.30, 3.19 A
)
 &rst
  ixpk= 2002, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 195, 196,
 igr2= 200, 201,
 &end
#
#   16 GLN  HG-          11 ASN  HD2+        5.50    (#   2004:15  Unique         3.70, 5.07 A
)
 &rst
  ixpk= 2004, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 269, 270,
 igr2= 200, 201,
 &end
#
#   11 ASN  HD2-         16 GLN  HE2+        5.50    (#   2005:15  Unique         2.23, 3.73 A
)
 &rst
  ixpk= 2005, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 200, 201,
 igr2= 274, 275,
 &end
#
#   11 ASN  HD2+         16 GLN  HE2+        5.50    (#   2006:15  Unique         2.23, 3.73 A
)
 &rst
  ixpk= 2006, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 200, 201,
 igr2= 274, 275,
 &end
#
#   12 SER  HA           16 GLN  HE2+        5.50    (#   2007:15  Unique         4.06, 5.40 A
)
 &rst
  ixpk= 2007, nxpk= 15, iat= 207,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 274, 275,
 &end
#
#    0 AMB  15-2:2009     0 AMB  15-1:2009   5.50    (#   2009:15  Double Ambig
)
 &rst
  ixpk= 2009, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 193, 903,
 igr2= 274, 275, 274, 275,
 &end
#
#   42 VAL  HA           16 GLN  HE2+        5.50    (#   2010:15  Unique         4.37, 5.77 A
)
 &rst
  ixpk= 2010, nxpk= 15, iat= 629,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 274, 275,
 &end
#
#    0 AMB  15-2:2011     0 AMB  15-1:2011   5.50    (#   2011:15  Double Ambig
)
 &rst
  ixpk= 2011, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 917, 918, 522, 523,
 igr2= 274, 275, 274, 275,
 &end
#
#   62 SER  HB-          16 GLN  HE2+        5.50    (#   2012:15  Unique         2.41, 3.92 A
)
 &rst
  ixpk= 2012, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 917, 918,
 igr2= 274, 275,
 &end
#
#    0 AMB  15-2:2013     0 AMB  15-1:2013   5.50    (#   2013:15  Double Ambig
)
 &rst
  ixpk= 2013, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 886, 887, 889, 890,
 igr2= 274, 275, 274, 275,
 &end
#
#   16 GLN  HG+          16 GLN  HE2+        4.50    (#   2014:15  Unique         2.13, 3.20 A
)
 &rst
  ixpk= 2014, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 269, 270,
 igr2= 274, 275,
 &end
#
#   16 GLN  HB+          16 GLN  HE2+        5.50    (#   2015:15  Unique         4.24, 4.73 A
)
 &rst
  ixpk= 2015, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 266, 267,
 igr2= 274, 275,
 &end
#
#   16 GLN  HG-          16 GLN  HE2+        4.50    (#   2016:15  Unique         2.13, 3.20 A
)
 &rst
  ixpk= 2016, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 269, 270,
 igr2= 274, 275,
 &end
#
#  111 VAL  HB          113 ARG  HN          5.50    (#   2017:15  Unique         5.23, 5.29 A
)
 &rst
  ixpk= 2017, nxpk= 15, iat=1646,1678, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  101 LEU  HB+         119 VAL  HN          5.50    (#   2018:15  Unique         5.28, 5.94 A
)
 &rst
  ixpk= 2018, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1505,1506,
 &end
#
#    0 AMB  15-2:2019   120 LYS  HN          5.50    (#   2019:15  Single Ambig
)
 &rst
  ixpk= 2019, nxpk= 15, iat=  -1,1796, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1825,1826,1861,1843,1844,
 &end
#
#  128 ALA  HN          127 ILE  HN          3.50    (#   2020:15  Unique         2.83, 2.85 A
)
 &rst
  ixpk= 2020, nxpk= 15, iat=1940,1921, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 GLN  HG+          16 GLN  HE2-        4.50    (#   2024:15  Unique         2.13, 3.20 A
)
 &rst
  ixpk= 2024, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 269, 270,
 igr2= 274, 275,
 &end
#
#   62 SER  HB-          16 GLN  HE2-        5.50    (#   2025:15  Unique         2.41, 3.92 A
)
 &rst
  ixpk= 2025, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 917, 918,
 igr2= 274, 275,
 &end
#
#    0 AMB  15-2:2026    16 GLN  HE2-        5.50    (#   2026:15  Single Ambig
)
 &rst
  ixpk= 2026, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 629, 253,
 igr2= 274, 275,
 &end
#
#    0 AMB  15-2:2027    16 GLN  HE2-        5.50    (#   2027:15  Single Ambig
)
 &rst
  ixpk= 2027, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 193, 903,
 igr2= 274, 275,
 &end
#
#   62 SER  HA           16 GLN  HE2-        4.50    (#   2029:15  Unique         2.03, 2.54 A
)
 &rst
  ixpk= 2029, nxpk= 15, iat= 915,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 274, 275,
 &end
#
#   12 SER  HA           16 GLN  HE2-        5.50    (#   2030:15  Unique         4.06, 5.40 A
)
 &rst
  ixpk= 2030, nxpk= 15, iat= 207,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 274, 275,
 &end
#
#   11 ASN  HD2+         16 GLN  HE2-        5.50    (#   2031:15  Unique         2.23, 3.73 A
)
 &rst
  ixpk= 2031, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 200, 201,
 igr2= 274, 275,
 &end
#
#   11 ASN  HD2-         16 GLN  HE2-        5.50    (#   2032:15  Unique         2.23, 3.73 A
)
 &rst
  ixpk= 2032, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 200, 201,
 igr2= 274, 275,
 &end
#
#   16 GLN  HG-          16 GLN  HE2-        3.50    (#   2033:15  Unique         2.13, 3.20 A
)
 &rst
  ixpk= 2033, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 269, 270,
 igr2= 274, 275,
 &end
#
#   42 VAL  MGY          16 GLN  HE2-        4.50    (#   2034:15  Unique         2.99, 5.50 A
)
 &rst
  ixpk= 2034, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 633, 634, 635, 637, 638, 639,
 igr2= 274, 275,
 &end
#
#   98 ASP  HN           99 TRP  HE1         5.50    (#   2035:15  Unique         4.93, 5.40 A
)
 &rst
  ixpk= 2035, nxpk= 15, iat=1448,1470, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 TRP  HA           99 TRP  HE1         5.50    (#   2036:15  Unique         4.79, 4.98 A
)
 &rst
  ixpk= 2036, nxpk= 15, iat=1462,1470, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 GLU  HA           99 TRP  HE1         5.50    (#   2038:15  Unique         4.94, 5.32 A
)
 &rst
  ixpk= 2038, nxpk= 15, iat=1435,1470, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:2039    99 TRP  HE1         4.50    (#   2039:15  Single Ambig
)
 &rst
  ixpk= 2039, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1911,1912,1913,1915,1916,1917,1911,1912,1913,1915,
      1916,1917,
 &end
#
#    0 AMB  15-2:2040    99 TRP  HE1         5.50    (#   2040:15  Single Ambig
)
 &rst
  ixpk= 2040, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1170,1171,1172,1174,1175,1176,1400,1401,1402,
 &end
#
#  122 ARG  HB-          99 TRP  HE1         5.50    (#   2042:15  Unique         3.46, 4.56 A
)
 &rst
  ixpk= 2042, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1837,1838,
 &end
#
#    0 AMB  15-2:2043    99 TRP  HE1         5.50    (#   2043:15  Single Ambig
)
 &rst
  ixpk= 2043, nxpk= 15, iat=  -1,1470, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1464,1465,1892,1893,
 &end
#
#   69 ASN  HA           90 TRP  HE1         5.50    (#   2044:15  Unique         4.01, 4.98 A
)
 &rst
  ixpk= 2044, nxpk= 15, iat=1020,1318, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 ILE  HG1-         90 TRP  HE1         3.50    (#   2045:15  Unique         1.69, 2.54 A
)
 &rst
  ixpk= 2045, nxpk= 15, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 960, 961,
 &end
#
#   57 ILE  QD1          60 GLN  HE2+        5.50    (#   2046:15  Unique         4.49, 5.60 A
)
 &rst
  ixpk= 2046, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 858, 859, 860,
 igr2= 894, 895,
 &end
#
#   57 ILE  QG2          60 GLN  HE2+        4.50    (#   2047:15  Unique         2.22, 3.05 A
)
 &rst
  ixpk= 2047, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 851, 852, 853,
 igr2= 894, 895,
 &end
#
#   16 GLN  HB-          60 GLN  HE2+        5.50    (#   2048:15  Unique         3.24, 4.73 A
)
 &rst
  ixpk= 2048, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 266, 267,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:2049     0 AMB  15-1:2049   5.50    (#   2049:15  Double Ambig
)
 &rst
  ixpk= 2049, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 323, 324, 308,
 igr2= 894, 895, 894, 895,
 &end
#
#   16 GLN  HA           60 GLN  HE2+        4.50    (#   2050:15  Unique         3.12, 3.51 A
)
 &rst
  ixpk= 2050, nxpk= 15, iat= 264,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:2051     0 AMB  15-1:2051   5.50    (#   2051:15  Double Ambig
)
 &rst
  ixpk= 2051, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 884, 901,
 igr2= 894, 895, 894, 895,
 &end
#
#   60 GLN  HN           60 GLN  HE2+        5.50    (#   2052:15  Unique         4.58, 5.55 A
)
 &rst
  ixpk= 2052, nxpk= 15, iat= 882,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 894, 895,
 &end
#
#   20 GLY  HN           60 GLN  HE2+        5.50    (#   2053:15  Unique         2.61, 3.77 A
)
 &rst
  ixpk= 2053, nxpk= 15, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 894, 895,
 &end
#
#   20 GLY  HN           60 GLN  HE2-        4.50    (#   2054:15  Unique         2.61, 3.77 A
)
 &rst
  ixpk= 2054, nxpk= 15, iat= 321,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:2055    60 GLN  HE2-        5.50    (#   2055:15  Single Ambig
)
 &rst
  ixpk= 2055, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 847, 901,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:2056    60 GLN  HE2-        5.50    (#   2056:15  Single Ambig
)
 &rst
  ixpk= 2056, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 323, 324, 308,
 igr2= 894, 895,
 &end
#
#   20 GLY  HA-          60 GLN  HE2-        5.50    (#   2057:15  Unique         3.25, 4.52 A
)
 &rst
  ixpk= 2057, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 323, 324,
 igr2= 894, 895,
 &end
#
#    0 AMB  15-2:2058    60 GLN  HE2-        5.50    (#   2058:15  Single Ambig
)
 &rst
  ixpk= 2058, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 266, 267, 269, 270,
 igr2= 894, 895,
 &end
#
#   57 ILE  QG2          60 GLN  HE2-        3.50    (#   2059:15  Unique         2.22, 3.05 A
)
 &rst
  ixpk= 2059, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 851, 852, 853,
 igr2= 894, 895,
 &end
#
#   57 ILE  QD1          60 GLN  HE2-        5.50    (#   2060:15  Unique         4.49, 5.60 A
)
 &rst
  ixpk= 2060, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 858, 859, 860,
 igr2= 894, 895,
 &end
#
#   19 GLU  HB+          60 GLN  HE2+        3.50    (#   2061:15  Unique         1.65, 3.77 A
)
 &rst
  ixpk= 2061, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 310, 311,
 igr2= 894, 895,
 &end
#
#   81 GLY  HA-         100 GLN  HE2-        5.50    (#   2062:15  Unique         3.47, 5.15 A
)
 &rst
  ixpk= 2062, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1496,1497,
 &end
#
#   82 CYS  HB+         100 GLN  HE2-        5.50    (#   2063:15  Unique         3.86, 5.84 A
)
 &rst
  ixpk= 2063, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1202,1203,
 igr2=1496,1497,
 &end
#
#  100 GLN  HB+         100 GLN  HE2-        4.50    (#   2064:15  Unique         2.03, 3.58 A
)
 &rst
  ixpk= 2064, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1488,1489,
 igr2=1496,1497,
 &end
#
#   82 CYS  HA          100 GLN  HE2+        4.50    (#   2065:15  Unique         2.09, 3.63 A
)
 &rst
  ixpk= 2065, nxpk= 15, iat=1200,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1496,1497,
 &end
#
#   81 GLY  HA-         100 GLN  HE2+        5.50    (#   2066:15  Unique         3.47, 5.15 A
)
 &rst
  ixpk= 2066, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1193,1194,
 igr2=1496,1497,
 &end
#
#   82 CYS  HB+         100 GLN  HE2+        5.50    (#   2067:15  Unique         3.86, 5.84 A
)
 &rst
  ixpk= 2067, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1202,1203,
 igr2=1496,1497,
 &end
#
#   98 ASP  HB-         100 GLN  HE2+        5.50    (#   2068:15  Unique         5.88, 7.31 A
)
 &rst
  ixpk= 2068, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1452,1453,
 igr2=1496,1497,
 &end
#
#  100 GLN  HB+         100 GLN  HE2+        5.50    (#   2069:15  Unique         2.03, 3.58 A
)
 &rst
  ixpk= 2069, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1488,1489,
 igr2=1496,1497,
 &end
#
#  126 LEU  HN          125 ASN  HD2-        5.50    (#   2070:15  Unique         4.42, 5.76 A
)
 &rst
  ixpk= 2070, nxpk= 15, iat=1902,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1897,1898,
 &end
#
#  125 ASN  HA          125 ASN  HD2-        4.50    (#   2071:15  Unique         3.22, 3.82 A
)
 &rst
  ixpk= 2071, nxpk= 15, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1897,1898,
 &end
#
#  121 GLU  HA          125 ASN  HD2-        5.50    (#   2072:15  Unique         3.26, 5.81 A
)
 &rst
  ixpk= 2072, nxpk= 15, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1897,1898,
 &end
#
#  121 GLU  HG+         125 ASN  HD2-        4.50    (#   2073:15  Unique         2.61, 4.75 A
)
 &rst
  ixpk= 2073, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1825,1826,
 igr2=1897,1898,
 &end
#
#  121 GLU  HG-         125 ASN  HD2-        3.50    (#   2074:15  Unique         2.61, 4.75 A
)
 &rst
  ixpk= 2074, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1825,1826,
 igr2=1897,1898,
 &end
#
#  122 ARG  HG-         125 ASN  HD2-        5.50    (#   2075:15  Unique         4.49, 5.78 A
)
 &rst
  ixpk= 2075, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1840,1841,
 igr2=1897,1898,
 &end
#
#  128 ALA  MB          125 ASN  HD2+        5.50    (#   2076:15  Unique         5.57, 6.68 A
)
 &rst
  ixpk= 2076, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1944,1945,1946,
 igr2=1897,1898,
 &end
#
#  121 GLU  HA          125 ASN  HD2+        5.50    (#   2077:15  Unique         3.26, 5.81 A
)
 &rst
  ixpk= 2077, nxpk= 15, iat=1820,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1897,1898,
 &end
#
#  125 ASN  HN          125 ASN  HD2+        5.50    (#   2080:15  Unique         2.27, 4.35 A
)
 &rst
  ixpk= 2080, nxpk= 15, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1897,1898,
 &end
#
#   71 ASP  HA           69 ASN  HD2+        5.50    (#   2081:15  Unique         5.46, 6.29 A
)
 &rst
  ixpk= 2081, nxpk= 15, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1027,1028,
 &end
#
#   69 ASN  HA           69 ASN  HD2+        5.50    (#   2083:15  Unique         3.76, 4.44 A
)
 &rst
  ixpk= 2083, nxpk= 15, iat=1020,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1027,1028,
 &end
#
#   71 ASP  HB+          69 ASN  HD2+        5.50    (#   2084:15  Unique         3.58, 5.02 A
)
 &rst
  ixpk= 2084, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1046,1047,
 igr2=1027,1028,
 &end
#
#   70 ALA  HN           69 ASN  HD2-        5.50    (#   2085:15  Unique         4.23, 5.31 A
)
 &rst
  ixpk= 2085, nxpk= 15, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1027,1028,
 &end
#
#   69 ASN  HN           69 ASN  HD2+        5.50    (#   2086:15  Unique         2.21, 2.80 A
)
 &rst
  ixpk= 2086, nxpk= 15, iat=1018,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1027,1028,
 &end
#
#   85 ASN  HN           85 ASN  HD2-        5.50    (#   2087:15  Unique         3.76, 4.95 A
)
 &rst
  ixpk= 2087, nxpk= 15, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#   84 VAL  HA           85 ASN  HD2-        5.50    (#   2088:15  Unique         5.75, 6.55 A
)
 &rst
  ixpk= 2088, nxpk= 15, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#   84 VAL  HA           85 ASN  HD2+        5.50    (#   2089:15  Unique         5.75, 6.55 A
)
 &rst
  ixpk= 2089, nxpk= 15, iat=1218,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1241,1242,
 &end
#
#   86 LEU  MDY          85 ASN  HD2-        5.50    (#   2092:15  Unique         6.00, 7.96 A
)
 &rst
  ixpk= 2092, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1255,1256,1257,1259,1260,1261,
 igr2=1241,1242,
 &end
#
#   85 ASN  HB-          85 ASN  HD2-        3.50    (#   2093:15  Unique         2.37, 3.44 A
)
 &rst
  ixpk= 2093, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1236,1237,
 igr2=1241,1242,
 &end
#
#  104 PRO  HB+         107 GLN  HE2+        5.50    (#   2094:15  Unique         5.83, 6.80 A
)
 &rst
  ixpk= 2094, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1554,1555,
 igr2=1592,1593,
 &end
#
#  111 VAL  MGY         107 GLN  HE2+        5.50    (#   2095:15  Unique         3.96, 6.01 A
)
 &rst
  ixpk= 2095, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1592,1593,
 &end
#
#  102 GLU  HB-         107 GLN  HE2+        5.50    (#   2096:15  Unique         4.22, 5.31 A
)
 &rst
  ixpk= 2096, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1524,1525,
 igr2=1592,1593,
 &end
#
#    0 AMB  15-2:2097     0 AMB  15-1:2097   5.50    (#   2097:15  Double Ambig
)
 &rst
  ixpk= 2097, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1539,1540,1565,1566,
 igr2=1592,1593,1592,1593,
 &end
#
#  103 ASP  HB+         107 GLN  HE2+        5.50    (#   2098:15  Unique         3.09, 4.62 A
)
 &rst
  ixpk= 2098, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1539,1540,
 igr2=1592,1593,
 &end
#
#  106 GLY  HA-         107 GLN  HE2+        5.50    (#   2099:15  Unique         5.42, 6.35 A
)
 &rst
  ixpk= 2099, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1575,1576,
 igr2=1592,1593,
 &end
#
#  107 GLN  HN          107 GLN  HE2+        5.50    (#   2101:15  Unique         4.47, 5.13 A
)
 &rst
  ixpk= 2101, nxpk= 15, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1592,1593,
 &end
#
#  107 GLN  HN          107 GLN  HE2-        5.50    (#   2103:15  Unique         4.47, 5.13 A
)
 &rst
  ixpk= 2103, nxpk= 15, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1592,1593,
 &end
#
#  106 GLY  HA-         107 GLN  HE2-        5.50    (#   2106:15  Unique         5.42, 6.35 A
)
 &rst
  ixpk= 2106, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1575,1576,
 igr2=1592,1593,
 &end
#
#  102 GLU  HB-         107 GLN  HE2-        5.50    (#   2107:15  Unique         4.22, 5.31 A
)
 &rst
  ixpk= 2107, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1524,1525,
 igr2=1592,1593,
 &end
#
#  111 VAL  MGY         107 GLN  HE2-        5.50    (#   2108:15  Unique         3.96, 6.01 A
)
 &rst
  ixpk= 2108, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1648,1649,1650,1652,1653,1654,
 igr2=1592,1593,
 &end
#
#  114 THR  HB          118 GLN  HE2+        5.50    (#   2110:15  Unique         4.21, 5.74 A
)
 &rst
  ixpk= 2110, nxpk= 15, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1775,1776,
 &end
#
#  118 GLN  HA          118 GLN  HE2+        5.50    (#   2111:15  Unique         3.88, 5.38 A
)
 &rst
  ixpk= 2111, nxpk= 15, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1775,1776,
 &end
#
#  115 VAL  HA          118 GLN  HE2+        5.50    (#   2112:15  Unique         2.84, 5.02 A
)
 &rst
  ixpk= 2112, nxpk= 15, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1775,1776,
 &end
#
#  118 GLN  HB-         118 GLN  HE2+        4.50    (#   2113:15  Unique         2.88, 4.19 A
)
 &rst
  ixpk= 2113, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1767,1768,
 igr2=1775,1776,
 &end
#
#    0 AMB  15-2:2114     0 AMB  15-1:2114   5.50    (#   2114:15  Double Ambig
)
 &rst
  ixpk= 2114, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1527,1528,1843,1844,
 igr2=1775,1776,1775,1776,
 &end
#
#  101 LEU  MDX         118 GLN  HE2+        4.50    (#   2115:15  Unique         2.52, 5.20 A
)
 &rst
  ixpk= 2115, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1510,1511,1512,1514,1515,1516,
 igr2=1775,1776,
 &end
#
#  118 GLN  HN          118 GLN  HE2-        5.50    (#   2116:15  Unique         2.42, 5.16 A
)
 &rst
  ixpk= 2116, nxpk= 15, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1775,1776,
 &end
#
#  118 GLN  HN          118 GLN  HE2+        5.50    (#   2117:15  Unique         2.42, 5.16 A
)
 &rst
  ixpk= 2117, nxpk= 15, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1775,1776,
 &end
#
#  118 GLN  HA          118 GLN  HE2-        5.50    (#   2121:15  Unique         3.88, 5.38 A
)
 &rst
  ixpk= 2121, nxpk= 15, iat=1765,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1775,1776,
 &end
#
#  115 VAL  HA          118 GLN  HE2-        5.50    (#   2122:15  Unique         2.84, 5.02 A
)
 &rst
  ixpk= 2122, nxpk= 15, iat=1718,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1775,1776,
 &end
#
#  118 GLN  HB-         118 GLN  HE2-        5.50    (#   2123:15  Unique         2.88, 4.19 A
)
 &rst
  ixpk= 2123, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1767,1768,
 igr2=1775,1776,
 &end
#
#  101 LEU  MDX         118 GLN  HE2-        5.50    (#   2124:15  Unique         2.52, 5.20 A
)
 &rst
  ixpk= 2124, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1510,1511,1512,1514,1515,1516,
 igr2=1775,1776,
 &end
#
#  122 ARG  HG-         125 ASN  HD2+        5.50    (#   2125:15  Unique         4.49, 5.78 A
)
 &rst
  ixpk= 2125, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1840,1841,
 igr2=1897,1898,
 &end
#
#   63 ASP  HB+          67 ASN  HD2-        5.50    (#   2126:15  Unique         3.62, 5.14 A
)
 &rst
  ixpk= 2126, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 928, 929,
 igr2= 993, 994,
 &end
#
#   67 ASN  HA           67 ASN  HD2-        5.50    (#   2127:15  Unique         4.19, 4.63 A
)
 &rst
  ixpk= 2127, nxpk= 15, iat= 986,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 993, 994,
 &end
#
#   63 ASP  HA           67 ASN  HD2-        5.50    (#   2129:15  Unique         4.38, 5.51 A
)
 &rst
  ixpk= 2129, nxpk= 15, iat= 926,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 993, 994,
 &end
#
#   67 ASN  HN           67 ASN  HD2-        4.50    (#   2130:15  Unique         2.31, 5.03 A
)
 &rst
  ixpk= 2130, nxpk= 15, iat= 984,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 993, 994,
 &end
#
#   89 GLU  HB-          93 GLN  HE2+        5.50    (#   2131:15  Unique         2.48, 3.67 A
)
 &rst
  ixpk= 2131, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1297,1298,
 igr2=1374,1375,
 &end
#
#    0 AMB  15-2:2132    93 GLN  HE2-        5.50    (#   2132:15  Single Ambig
)
 &rst
  ixpk= 2132, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1366,1367,1070,1071,
 igr2=1374,1375,
 &end
#
#   16 GLN  HN           15 SER  HN          5.50    (#   2133:15  Unique         2.58, 2.73 A
)
 &rst
  ixpk= 2133, nxpk= 15, iat= 262, 251, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   19 GLU  HN           17 MET  HN          5.50    (#   2134:15  Unique         4.02, 4.10 A
)
 &rst
  ixpk= 2134, nxpk= 15, iat= 306, 279, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  15-2:2136    21 PHE  HN          4.50    (#   2136:15  Single Ambig
)
 &rst
  ixpk= 2136, nxpk= 15, iat=  -1, 328, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 358, 394,
 &end
#
#  111 VAL  HA          110 GLU  HN          5.50    (#   2137:15  Unique         5.31, 5.41 A
)
 &rst
  ixpk= 2137, nxpk= 15, iat=1644,1627, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 PHE  HA          112 PHE  HN          3.50    (#   2138:15  Unique         2.79, 2.80 A
)
 &rst
  ixpk= 2138, nxpk= 15, iat=1660,1658, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  15-2:2139    35 CYS  HN          5.50    (#   2139:15  Single Ambig
)
 &rst
  ixpk= 2139, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 510, 511, 512, 960, 961,
 &end
#
#   67 ASN  HD2+         68 PHE  HN          5.50    (#   2141:15  Unique         3.67, 5.71 A
)
 &rst
  ixpk= 2141, nxpk= 15, iat=  -1, 998, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 993, 994,
 &end
#
#  112 PHE  HE          112 PHE  HN          5.50    (#   2142:15  Unique         4.92, 5.71 A
)
 &rst
  ixpk= 2142, nxpk= 15, iat=  -1,1658, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1668,1672,
 &end
#
#  121 GLU  HB-         121 GLU  HN          2.80    (#   2144:15  Unique         1.95, 2.53 A
)
 &rst
  ixpk= 2144, nxpk= 15, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1822,1823,
 &end
#
#    0 AMB  15-2:2146    41 ARG  HN          4.50    (#   2146:15  Single Ambig
)
 &rst
  ixpk= 2146, nxpk= 15, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 627, 643,
 &end
#
#    0 AMB  15-2:2147    77 ILE  HN          5.50    (#   2147:15  Single Ambig
)
 &rst
  ixpk= 2147, nxpk= 15, iat=  -1,1131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  67,  83,
 &end
#
#  121 GLU  HG+         119 VAL  HN          5.50    (#   2156:15  Unique         5.79, 6.51 A
)
 &rst
  ixpk= 2156, nxpk= 15, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1825,1826,
 &end
#
#  116 ARG  HD+         117 GLY  HN          5.50    (#   2162:15  Unique         3.78, 4.78 A
)
 &rst
  ixpk= 2162, nxpk= 15, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1742,1743,
 &end
#
#  100 GLN  HG+         100 GLN  HE2+        4.50    (#   2163:15  Unique         2.29, 3.46 A
)
 &rst
  ixpk= 2163, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1491,1492,
 igr2=1496,1497,
 &end
#
#   23 LYS  HD+          32 VAL  HN          5.50    (#   2165:15  Unique         5.92, 6.38 A
)
 &rst
  ixpk= 2165, nxpk= 15, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 368, 369,
 &end
#
#   68 PHE  HB+          67 ASN  HN          5.50    (#   2166:15  Unique         4.52, 5.41 A
)
 &rst
  ixpk= 2166, nxpk= 15, iat=  -1, 984, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1002,1003,
 &end
#
#   11 ASN  HB-           8 CYS  HN          5.50    (#   2167:15  Unique         3.68, 4.95 A
)
 &rst
  ixpk= 2167, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 195, 196,
 &end
#
#    0 AMB  15-2:2168     8 CYS  HN          5.50    (#   2168:15  Single Ambig
)
 &rst
  ixpk= 2168, nxpk= 15, iat=  -1, 134, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 556, 557, 558, 560, 561, 562,1255,1256,1257,1259,
      1260,1261,
 &end
#
#    6 PHE  HD           35 CYS  HN          5.50    (#   2169:15  Unique         5.55, 6.46 A
)
 &rst
  ixpk= 2169, nxpk= 15, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 106, 114,
 &end
#
#   92 THR  MG2          89 GLU  HN          5.50    (#   2172:15  Unique         4.86, 6.46 A
)
 &rst
  ixpk= 2172, nxpk= 15, iat=  -1,1293, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1354,1355,1356,
 &end
#
#   96 PHE  HB+          92 THR  HN          5.50    (#   2182:15  Unique         4.62, 5.57 A
)
 &rst
  ixpk= 2182, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1417,1418,
 &end
#
#   90 TRP  HB+          92 THR  HN          5.50    (#   2183:15  Unique         4.91, 5.25 A
)
 &rst
  ixpk= 2183, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1312,1313,
 &end
#
#   90 TRP  HB-          92 THR  HN          5.50    (#   2184:15  Unique         4.91, 5.25 A
)
 &rst
  ixpk= 2184, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1312,1313,
 &end
#
#   90 TRP  HA           93 GLN  HE2-        4.50    (#   2187:15  Unique         3.06, 4.18 A
)
 &rst
  ixpk= 2187, nxpk= 15, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1374,1375,
 &end
#
#   93 GLN  HE2-         92 THR  HN          4.50    (#   2188:15  Unique         2.89, 4.35 A
)
 &rst
  ixpk= 2188, nxpk= 15, iat=  -1,1348, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1374,1375,
 &end
#
#   77 ILE  HB            6 PHE  HN          5.50    (#   2189:15  Unique         4.79, 5.09 A
)
 &rst
  ixpk= 2189, nxpk= 15, iat=1135,  98, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLU  HB-         103 ASP  HN          4.50    (#    357:15  Unique         2.41, 3.28 A
)
 &rst
  ixpk= 357, nxpk= 15, iat=  -1,1535, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1524,1525,
 &end
#
#   36 GLY  HA+          38 GLU  HN          3.50    (#    698:15  Double Ambig
)
 &rst
  ixpk= 698, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 542, 543,
 &end
#
#   37 LEU  MDY          38 GLU  HN          4.50    (#   1263:15  Double Ambig
)
 &rst
  ixpk= 1263, nxpk= 15, iat=  -1, 566, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 556, 557, 558, 560, 561, 562,
 &end
#
#   77 ILE  HA           99 TRP  HN          5.50    (#   1699:15  Single Ambig
)
 &rst
  ixpk= 1699, nxpk= 15, iat=1133,1460, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   89 GLU  HA           90 TRP  HN          3.50    (#    647:15  Double Ambig
)
 &rst
  ixpk= 647, nxpk= 15, iat=1295,1308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 ALA  MB           47 ILE  HN          2.80    (#    650:15  Double Ambig 
)
 &rst
  ixpk= 650, nxpk= 15, iat=  -1, 698, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 692, 693, 694,
 &end
#
#    0 AMB  15-2:1314    90 TRP  HN          4.50    (#   1314:15  Double Ambig
)
 &rst
  ixpk= 1314, nxpk= 15, iat=  -1,1308, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1354,1355,1356,1121,1122,1123,1125,1126,1127,
 &end
#
#    0 AMB  15-2:1375    54 GLY  HN          5.50    (#   1375:15  Double Ambig
)
 &rst
  ixpk= 1375, nxpk= 15, iat=  -1, 807, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 768, 769, 783, 784,
 &end
#
#   11 ASN  HB-          11 ASN  HD2+        5.50    (#   2003:15  Unique         5.62, 7.14 A
)
 &rst
  ixpk= 2003, nxpk= 15, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 195, 196,
 igr2= 200, 201,
 &end
#
#   21 PHE  HN           23 LYS  HN          4.50    (#   1153:15  Double Ambig
)
 &rst
  ixpk= 1153, nxpk= 15, iat= 328, 358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 LEU  HA           79 LEU  HN          3.50    (#     36:15  Single Ambig
)
 &rst
  ixpk= 36, nxpk= 15, iat=1163,1161, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 SER  HA           79 LEU  HN          3.50    (#   2190:15  Single Ambig
)
 &rst
  ixpk= 2190, nxpk= 15, iat=1152,1161, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 LEU  HB+          79 LEU  HN          5.50    (#   2191:15  Unique         2.69, 3.37 A
)
 &rst
  ixpk= 2191, nxpk= 15, iat=  -1,1161, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1165,1166,
 &end
#
#   79 LEU  HA           80 CYS  HN          3.50    (#   2192:15  Unique         1.92, 2.48 A
)
 &rst
  ixpk= 2192, nxpk= 15, iat=1163,1180, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 CYS  HA           80 CYS  HN          3.50    (#   2193:15  Unique         1.92, 2.48 A
)
 &rst
  ixpk= 2193, nxpk= 15, iat=1182,1180, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 LEU  HB-          80 CYS  HN          5.50    (#   2194:15  Unique         1.92, 2.48 A
)
 &rst
  ixpk= 2194, nxpk= 15, iat=  -1,1180, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1165,1166,
 &end
#
#   79 LEU  HG           80 CYS  HN          5.50    (#   2195:15  Unique         1.92, 2.48 A
)
 &rst
  ixpk= 2195, nxpk= 15, iat=1168,1180, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 VAL  MGX          81 GLY  HN          5.50    (#   1996:15  Single Ambig
)
 &rst
  ixpk= 1996, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          81 GLY  HN          5.50    (#   2196:15  Single Ambig
)
 &rst
  ixpk= 2196, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   80 CYS  HA           81 GLY  HN          4.50    (#   1993:15  Single Ambig
)
 &rst
  ixpk= 1993, nxpk= 15, iat=1182,1191, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 GLY  HA+          81 GLY  HN          4.50    (#   2197:15  Single Ambig
)
 &rst
  ixpk= 2197, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1211,1212,
 &end
#
#   82 CYS  HN           83 GLY  HN          4.50    (#   2198:15  Single Ambig
)
 &rst
  ixpk= 2198, nxpk= 15, iat=1198,1209, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 CYS  HB+          83 GLY  HN          4.50    (#   1584:15  Single Ambig
)
 &rst
  ixpk= 1584, nxpk= 15, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1202,1203,
 &end
#
#   84 VAL  MGX          83 GLY  HN          5.50    (#   1585:15  Single Ambig
)
 &rst
  ixpk= 1585, nxpk= 15, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          83 GLY  HN          5.50    (#   2200:15  Single Ambig
)
 &rst
  ixpk= 2200, nxpk= 15, iat=  -1,1209, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HB           83 GLY  HN          5.50    (#   2201:15  Single Ambig
)
 &rst
  ixpk= 2201, nxpk= 15, iat=1220,1209, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   84 VAL  MGX          84 VAL  HN          2.80    (#    510:15  Single Ambig
)
 &rst
  ixpk= 510, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          84 VAL  HN          2.80    (#   2202:15  Single Ambig
)
 &rst
  ixpk= 2202, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HA           84 VAL  HN          2.80    (#    507:15  Single Ambig
)
 &rst
  ixpk= 507, nxpk= 15, iat=1218,1216, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 GLY  HA+          84 VAL  HN          2.80    (#   2203:15  Single Ambig
)
 &rst
  ixpk= 2203, nxpk= 15, iat=  -1,1216, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1211,1212,
 &end
#
#   85 ASN  HA           84 VAL  HN          5.50    (#   1589:15  Single Ambig
)
 &rst
  ixpk= 1589, nxpk= 15, iat=1234,1216, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   85 ASN  HD2+         85 ASN  HN          5.50    (#   2205:15  Unique         3.76, 4.95 A
)
 &rst
  ixpk= 2205, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1241,1242,
 &end
#
#   86 LEU  HN           85 ASN  HN          4.50    (#   2206:15  Unique         3.76, 4.95 A
)
 &rst
  ixpk= 2206, nxpk= 15, iat=1246,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 VAL  MGX          85 ASN  HN          3.50    (#    163:15  Single Ambig
)
 &rst
  ixpk= 163, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  MGY          85 ASN  HN          3.50    (#   2207:15  Single Ambig
)
 &rst
  ixpk= 2207, nxpk= 15, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1222,1223,1224,1226,1227,1228,
 &end
#
#   84 VAL  HB           81 GLY  HN          5.50    (#   2208:15  Single Ambig
)
 &rst
  ixpk= 2208, nxpk= 15, iat=1220,1191, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 LYS  HB+          81 GLY  HN          5.50    (#   2209:15  Single Ambig
)
 &rst
  ixpk= 2209, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 149, 150,
 &end
#
#  100 GLN  HG-          81 GLY  HN          5.50    (#   2210:15  Single Ambig
)
 &rst
  ixpk= 2210, nxpk= 15, iat=  -1,1191, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1491,1492,
 &end
#
#  100 GLN  HG-          82 CYS  HN          5.50    (#   2218:15  Single Ambig
)
 &rst
  ixpk= 2218, nxpk= 15, iat=  -1,1198, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1491,1492,
 &end
#
#   91 VAL  MGY          86 LEU  HN          5.50    (#   2224:15  Single Ambig
)
 &rst
  ixpk= 2224, nxpk= 15, iat=  -1,1246, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1338,1339,1340,1342,1343,1344,
 &end
REMARK                                                              
ATOM      1  N   MET     1       1.329   0.000   0.000
ATOM      2  HN  MET     1       1.549  -0.835   0.533
ATOM      3  H2  MET     1       1.570   0.821   0.544
ATOM      4  H3  MET     1       0.338   0.014  -0.213
ATOM      5  CA  MET     1       2.093  -0.001  -1.242
ATOM      6  HA  MET     1       1.839  -0.880  -1.797
ATOM      7  CB  MET     1       1.738   1.226  -2.085
ATOM      8 2HB  MET     1       2.031   1.037  -3.100
ATOM      9 3HB  MET     1       0.676   1.373  -2.041
ATOM     10  CG  MET     1       2.420   2.502  -1.617
ATOM     11 2HG  MET     1       2.792   2.348  -0.622
ATOM     12 3HG  MET     1       3.240   2.715  -2.276
ATOM     13  SD  MET     1       1.306   3.920  -1.604
ATOM     14  CE  MET     1       1.645   4.632  -3.212
ATOM     15 1HE  MET     1       2.709   4.909  -3.274
ATOM     16 2HE  MET     1       1.411   3.895  -3.996
ATOM     17 3HE  MET     1       1.024   5.530  -3.354
ATOM     18  C   MET     1       3.592  -0.022  -0.959
ATOM     19  O   MET     1       4.017  -0.270   0.169
ATOM     20  N   LYS     2       4.388   0.241  -1.990
ATOM     21  HN  LYS     2       3.977   0.438  -2.891
ATOM     22  CA  LYS     2       5.839   0.253  -1.853
ATOM     23  HA  LYS     2       6.107  -0.353  -1.013
ATOM     24  CB  LYS     2       6.496  -0.333  -3.105
ATOM     25 2HB  LYS     2       5.820  -0.216  -3.930
ATOM     26 3HB  LYS     2       7.398   0.214  -3.302
ATOM     27  CG  LYS     2       6.845  -1.805  -2.976
ATOM     28 2HG  LYS     2       7.244  -2.152  -3.910
ATOM     29 3HG  LYS     2       7.583  -1.922  -2.206
ATOM     30  CD  LYS     2       5.624  -2.639  -2.621
ATOM     31 2HD  LYS     2       4.740  -2.106  -2.914
ATOM     32 3HD  LYS     2       5.672  -3.570  -3.152
ATOM     33  CE  LYS     2       5.558  -2.923  -1.129
ATOM     34 2HE  LYS     2       6.287  -2.316  -0.628
ATOM     35 3HE  LYS     2       4.578  -2.673  -0.771
ATOM     36  NZ  LYS     2       5.832  -4.355  -0.824
ATOM     37 1HZ  LYS     2       5.144  -4.937  -1.289
ATOM     38 2HZ  LYS     2       6.759  -4.599  -1.153
ATOM     39 3HZ  LYS     2       5.779  -4.503   0.178
ATOM     40  C   LYS     2       6.351   1.670  -1.613
ATOM     41  O   LYS     2       5.763   2.642  -2.087
ATOM     42  N   LYS     3       7.451   1.780  -0.876
ATOM     43  HN  LYS     3       7.887   0.944  -0.515
ATOM     44  CA  LYS     3       8.044   3.078  -0.576
ATOM     45  HA  LYS     3       7.480   3.836  -1.078
ATOM     46  CB  LYS     3       7.993   3.349   0.930
ATOM     47 2HB  LYS     3       7.804   2.422   1.436
ATOM     48 3HB  LYS     3       8.945   3.736   1.238
ATOM     49  CG  LYS     3       6.918   4.343   1.332
ATOM     50 2HG  LYS     3       7.180   5.312   0.953
ATOM     51 3HG  LYS     3       5.982   4.034   0.909
ATOM     52  CD  LYS     3       6.773   4.427   2.843
ATOM     53 2HD  LYS     3       7.020   3.474   3.271
ATOM     54 3HD  LYS     3       7.448   5.173   3.217
ATOM     55  CE  LYS     3       5.354   4.797   3.246
ATOM     56 2HE  LYS     3       4.673   4.099   2.798
ATOM     57 3HE  LYS     3       5.271   4.741   4.314
ATOM     58  NZ  LYS     3       4.993   6.173   2.806
ATOM     59 1HZ  LYS     3       5.628   6.841   3.230
ATOM     60 2HZ  LYS     3       5.063   6.234   1.796
ATOM     61 3HZ  LYS     3       4.043   6.381   3.093
ATOM     62  C   LYS     3       9.488   3.142  -1.065
ATOM     63  O   LYS     3      10.371   2.488  -0.512
ATOM     64  N   VAL     4       9.720   3.937  -2.106
ATOM     65  HN  VAL     4       8.952   4.448  -2.517
ATOM     66  CA  VAL     4      11.056   4.089  -2.668
ATOM     67  HA  VAL     4      11.598   3.182  -2.501
ATOM     68  CB  VAL     4      11.000   4.349  -4.185
ATOM     69  HB  VAL     4      10.428   3.567  -4.639
ATOM     70  CG1 VAL     4      10.312   5.675  -4.475
ATOM     71 1HG1 VAL     4       9.285   5.650  -4.079
ATOM     72 2HG1 VAL     4      10.871   6.492  -3.993
ATOM     73 3HG1 VAL     4      10.282   5.843  -5.563
ATOM     74  CG2 VAL     4      12.399   4.324  -4.781
ATOM     75 1HG2 VAL     4      13.014   5.104  -4.307
ATOM     76 2HG2 VAL     4      12.856   3.338  -4.603
ATOM     77 3HG2 VAL     4      12.340   4.511  -5.864
ATOM     78  C   VAL     4      11.809   5.231  -1.995
ATOM     79  O   VAL     4      11.319   6.358  -1.931
ATOM     80  N   MET     5      13.003   4.932  -1.494
ATOM     81  HN  MET     5      13.350   3.987  -1.577
ATOM     82  CA  MET     5      13.825   5.935  -0.827
ATOM     83  HA  MET     5      13.291   6.862  -0.818
ATOM     84  CB  MET     5      14.102   5.518   0.619
ATOM     85 2HB  MET     5      13.195   5.625   1.183
ATOM     86 3HB  MET     5      14.406   4.489   0.623
ATOM     87  CG  MET     5      15.187   6.343   1.292
ATOM     88 2HG  MET     5      16.129   5.846   1.159
ATOM     89 3HG  MET     5      15.224   7.308   0.825
ATOM     90  SD  MET     5      14.896   6.566   3.057
ATOM     91  CE  MET     5      13.831   8.007   3.045
ATOM     92 1HE  MET     5      14.360   8.851   2.576
ATOM     93 2HE  MET     5      12.917   7.783   2.473
ATOM     94 3HE  MET     5      13.561   8.272   4.079
ATOM     95  C   MET     5      15.141   6.141  -1.570
ATOM     96  O   MET     5      15.680   5.210  -2.169
ATOM     97  N   PHE     6      15.653   7.366  -1.528
ATOM     98  HN  PHE     6      15.162   8.088  -1.019
ATOM     99  CA  PHE     6      16.906   7.695  -2.198
ATOM    100  HA  PHE     6      17.377   6.785  -2.505
ATOM    101  CB  PHE     6      16.636   8.547  -3.441
ATOM    102 2HB  PHE     6      16.152   9.454  -3.133
ATOM    103 3HB  PHE     6      17.576   8.782  -3.902
ATOM    104  CG  PHE     6      15.765   7.865  -4.457
ATOM    105  CD1 PHE     6      14.384   7.958  -4.379
ATOM    106  HD1 PHE     6      13.930   8.527  -3.576
ATOM    107  CE1 PHE     6      13.580   7.333  -5.313
ATOM    108  HE1 PHE     6      12.501   7.416  -5.242
ATOM    109  CZ  PHE     6      14.151   6.603  -6.337
ATOM    110  HZ  PHE     6      13.522   6.110  -7.069
ATOM    111  CE2 PHE     6      15.526   6.503  -6.425
ATOM    112  HE2 PHE     6      15.978   5.932  -7.228
ATOM    113  CD2 PHE     6      16.326   7.131  -5.489
ATOM    114  HD2 PHE     6      17.404   7.048  -5.563
ATOM    115  C   PHE     6      17.850   8.436  -1.255
ATOM    116  O   PHE     6      17.684   9.630  -1.004
ATOM    117  N   VAL     7      18.840   7.718  -0.735
ATOM    118  HN  VAL     7      18.921   6.741  -0.979
ATOM    119  CA  VAL     7      19.812   8.306   0.180
ATOM    120  HA  VAL     7      19.416   9.231   0.544
ATOM    121  CB  VAL     7      20.078   7.384   1.384
ATOM    122  HB  VAL     7      20.846   6.691   1.112
ATOM    123  CG1 VAL     7      20.565   8.191   2.578
ATOM    124 1HG1 VAL     7      21.499   8.711   2.313
ATOM    125 2HG1 VAL     7      19.799   8.931   2.858
ATOM    126 3HG1 VAL     7      20.749   7.515   3.427
ATOM    127  CG2 VAL     7      18.827   6.595   1.738
ATOM    128 1HG2 VAL     7      18.014   7.292   1.994
ATOM    129 2HG2 VAL     7      18.525   5.980   0.876
ATOM    130 3HG2 VAL     7      19.036   5.942   2.600
ATOM    131  C   VAL     7      21.131   8.593  -0.529
ATOM    132  O   VAL     7      21.374   8.102  -1.632
ATOM    133  N   CYS     8      21.978   9.390   0.111
ATOM    134  HN  CYS     8      21.719   9.761   1.014
ATOM    135  CA  CYS     8      23.274   9.743  -0.458
ATOM    136  HA  CYS     8      23.784   8.842  -0.728
ATOM    137  CB  CYS     8      23.088  10.592  -1.716
ATOM    138 2HB  CYS     8      24.055  10.911  -2.053
ATOM    139 3HB  CYS     8      22.630   9.981  -2.470
ATOM    140  SG  CYS     8      22.060  12.059  -1.471
ATOM    141  HG  CYS     8      21.960  12.726  -2.617
ATOM    142  C   CYS     8      24.127  10.497   0.557
ATOM    143  O   CYS     8      23.667  10.821   1.652
ATOM    144  N   LYS     9      25.373  10.773   0.187
ATOM    145  HN  LYS     9      25.692  10.479  -0.725
ATOM    146  CA  LYS     9      26.291  11.489   1.064
ATOM    147  HA  LYS     9      26.175  11.113   2.059
ATOM    148  CB  LYS     9      27.738  11.256   0.621
ATOM    149 2HB  LYS     9      27.728  10.868  -0.379
ATOM    150 3HB  LYS     9      28.253  12.197   0.634
ATOM    151  CG  LYS     9      28.496  10.282   1.506
ATOM    152 2HG  LYS     9      28.263  10.490   2.533
ATOM    153 3HG  LYS     9      28.190   9.282   1.266
ATOM    154  CD  LYS     9      29.997  10.400   1.307
ATOM    155 2HD  LYS     9      30.288   9.788   0.475
ATOM    156 3HD  LYS     9      30.242  11.424   1.101
ATOM    157  CE  LYS     9      30.760   9.948   2.543
ATOM    158 2HE  LYS     9      30.411  10.507   3.390
ATOM    159 3HE  LYS     9      30.574   8.903   2.703
ATOM    160  NZ  LYS     9      32.227  10.159   2.397
ATOM    161 1HZ  LYS     9      32.567   9.629   1.602
ATOM    162 2HZ  LYS     9      32.414  11.145   2.251
ATOM    163 3HZ  LYS     9      32.699   9.846   3.238
ATOM    164  C   LYS     9      25.985  12.983   1.071
ATOM    165  O   LYS     9      26.639  13.758   1.769
ATOM    166  N   ARG    10      24.985  13.381   0.290
ATOM    167  HN  ARG    10      24.486  12.696  -0.259
ATOM    168  CA  ARG    10      24.592  14.782   0.207
ATOM    169  HA  ARG    10      24.509  15.172   1.200
ATOM    170  CB  ARG    10      25.653  15.588  -0.545
ATOM    171 2HB  ARG    10      25.286  16.587  -0.682
ATOM    172 3HB  ARG    10      26.545  15.613   0.050
ATOM    173  CG  ARG    10      26.001  15.013  -1.909
ATOM    174 2HG  ARG    10      25.561  14.039  -1.999
ATOM    175 3HG  ARG    10      25.604  15.657  -2.670
ATOM    176  CD  ARG    10      27.506  14.895  -2.096
ATOM    177 2HD  ARG    10      27.770  15.306  -3.051
ATOM    178 3HD  ARG    10      27.996  15.451  -1.320
ATOM    179  NE  ARG    10      27.957  13.508  -2.039
ATOM    180  HE  ARG    10      27.260  12.783  -1.949
ATOM    181  CZ  ARG    10      29.235  13.147  -2.099
ATOM    182  NH1 ARG    10      30.182  14.068  -2.216
ATOM    183 1HH1 ARG    10      29.933  15.046  -2.260
ATOM    184 2HH1 ARG    10      31.152  13.792  -2.261
ATOM    185  NH2 ARG    10      29.567  11.864  -2.040
ATOM    186 1HH2 ARG    10      28.848  11.160  -1.950
ATOM    187 2HH2 ARG    10      30.538  11.591  -2.085
ATOM    188  C   ARG    10      23.241  14.928  -0.487
ATOM    189  O   ARG    10      23.162  14.946  -1.715
ATOM    190  N   ASN    11      22.181  15.030   0.308
ATOM    191  HN  ASN    11      22.312  15.008   1.309
ATOM    192  CA  ASN    11      20.833  15.173  -0.230
ATOM    193  HA  ASN    11      20.680  14.416  -0.971
ATOM    194  CB  ASN    11      19.796  14.984   0.879
ATOM    195 2HB  ASN    11      20.051  14.108   1.444
ATOM    196 3HB  ASN    11      19.818  15.843   1.521
ATOM    197  CG  ASN    11      18.391  14.819   0.334
ATOM    198  OD1 ASN    11      17.813  13.734   0.397
ATOM    199  ND2 ASN    11      17.834  15.897  -0.204
ATOM    200 1HD2 ASN    11      16.899  15.847  -0.583
ATOM    201 2HD2 ASN    11      18.345  16.768  -0.234
ATOM    202  C   ASN    11      20.651  16.538  -0.886
ATOM    203  O   ASN    11      20.104  17.460  -0.281
ATOM    204  N   SER    12      21.112  16.659  -2.127
ATOM    205  HN  SER    12      21.548  15.863  -2.570
ATOM    206  CA  SER    12      21.003  17.913  -2.864
ATOM    207  HA  SER    12      20.183  18.473  -2.465
ATOM    208  CB  SER    12      22.281  18.738  -2.701
ATOM    209 2HB  SER    12      22.545  18.773  -1.662
ATOM    210 3HB  SER    12      23.072  18.272  -3.256
ATOM    211  OG  SER    12      22.099  20.060  -3.177
ATOM    212  HG  SER    12      22.913  20.556  -3.064
ATOM    213  C   SER    12      20.738  17.651  -4.343
ATOM    214  O   SER    12      19.917  18.326  -4.967
ATOM    215  N   CYS    13      21.438  16.669  -4.899
ATOM    216  HN  CYS    13      22.097  16.153  -4.334
ATOM    217  CA  CYS    13      21.279  16.317  -6.306
ATOM    218  HA  CYS    13      20.414  16.818  -6.687
ATOM    219  CB  CYS    13      22.499  16.776  -7.107
ATOM    220 2HB  CYS    13      22.571  16.169  -7.989
ATOM    221 3HB  CYS    13      22.350  17.800  -7.390
ATOM    222  SG  CYS    13      24.062  16.657  -6.206
ATOM    223  HG  CYS    13      25.055  17.077  -6.984
ATOM    224  C   CYS    13      21.082  14.814  -6.472
ATOM    225  O   CYS    13      20.124  14.370  -7.105
ATOM    226  N   ARG    14      21.996  14.036  -5.901
ATOM    227  HN  ARG    14      22.759  14.462  -5.395
ATOM    228  CA  ARG    14      21.923  12.582  -5.988
ATOM    229  HA  ARG    14      22.140  12.290  -6.994
ATOM    230  CB  ARG    14      22.958  11.942  -5.061
ATOM    231 2HB  ARG    14      22.871  12.394  -4.092
ATOM    232 3HB  ARG    14      22.744  10.893  -4.987
ATOM    233  CG  ARG    14      24.391  12.108  -5.541
ATOM    234 2HG  ARG    14      24.394  12.713  -6.427
ATOM    235 3HG  ARG    14      24.962  12.595  -4.774
ATOM    236  CD  ARG    14      25.031  10.765  -5.857
ATOM    237 2HD  ARG    14      24.382   9.983  -5.513
ATOM    238 3HD  ARG    14      25.158  10.683  -6.919
ATOM    239  NE  ARG    14      26.333  10.614  -5.214
ATOM    240  HE  ARG    14      26.642  11.341  -4.584
ATOM    241  CZ  ARG    14      27.134   9.573  -5.412
ATOM    242  NH1 ARG    14      26.769   8.598  -6.232
ATOM    243 1HH1 ARG    14      25.879   8.645  -6.708
ATOM    244 2HH1 ARG    14      27.381   7.808  -6.381
ATOM    245  NH2 ARG    14      28.305   9.508  -4.790
ATOM    246 1HH2 ARG    14      28.587  10.250  -4.165
ATOM    247 2HH2 ARG    14      28.914   8.717  -4.942
ATOM    248  C   ARG    14      20.526  12.085  -5.629
ATOM    249  O   ARG    14      19.837  11.489  -6.457
ATOM    250  N   SER    15      20.116  12.333  -4.390
ATOM    251  HN  SER    15      20.729  12.829  -3.758
ATOM    252  CA  SER    15      18.803  11.907  -3.919
ATOM    253  HA  SER    15      18.615  10.919  -4.284
ATOM    254  CB  SER    15      18.771  11.876  -2.390
ATOM    255 2HB  SER    15      17.791  11.583  -2.066
ATOM    256 3HB  SER    15      19.492  11.163  -2.039
ATOM    257  OG  SER    15      19.077  13.148  -1.847
ATOM    258  HG  SER    15      19.050  13.102  -0.888
ATOM    259  C   SER    15      17.711  12.834  -4.443
ATOM    260  O   SER    15      16.649  12.380  -4.869
ATOM    261  N   GLN    16      17.981  14.135  -4.409
ATOM    262  HN  GLN    16      18.873  14.444  -4.049
ATOM    263  CA  GLN    16      17.021  15.127  -4.879
ATOM    264  HA  GLN    16      16.197  15.152  -4.197
ATOM    265  CB  GLN    16      17.665  16.514  -4.915
ATOM    266 2HB  GLN    16      18.696  16.402  -5.191
ATOM    267 3HB  GLN    16      17.159  17.104  -5.655
ATOM    268  CG  GLN    16      17.600  17.250  -3.586
ATOM    269 2HG  GLN    16      18.216  16.732  -2.876
ATOM    270 3HG  GLN    16      17.975  18.246  -3.726
ATOM    271  CD  GLN    16      16.190  17.335  -3.035
ATOM    272  OE1 GLN    16      15.214  17.171  -3.767
ATOM    273  NE2 GLN    16      16.077  17.591  -1.737
ATOM    274 1HE2 GLN    16      15.163  17.659  -1.313
ATOM    275 2HE2 GLN    16      16.905  17.718  -1.173
ATOM    276  C   GLN    16      16.495  14.761  -6.263
ATOM    277  O   GLN    16      15.303  14.511  -6.438
ATOM    278  N   MET    17      17.392  14.733  -7.243
ATOM    279  HN  MET    17      18.356  14.949  -7.035
ATOM    280  CA  MET    17      17.017  14.398  -8.612
ATOM    281  HA  MET    17      16.379  15.170  -8.989
ATOM    282  CB  MET    17      18.261  14.318  -9.499
ATOM    283 2HB  MET    17      18.985  13.693  -9.012
ATOM    284 3HB  MET    17      17.982  13.878 -10.437
ATOM    285  CG  MET    17      18.899  15.669  -9.774
ATOM    286 2HG  MET    17      18.121  16.399  -9.889
ATOM    287 3HG  MET    17      19.517  15.934  -8.938
ATOM    288  SD  MET    17      19.915  15.668 -11.265
ATOM    289  CE  MET    17      21.550  15.471 -10.560
ATOM    290 1HE  MET    17      21.762  16.313  -9.883
ATOM    291 2HE  MET    17      21.595  14.527  -9.996
ATOM    292 3HE  MET    17      22.298  15.452 -11.368
ATOM    293  C   MET    17      16.259  13.075  -8.659
ATOM    294  O   MET    17      15.154  13.002  -9.196
ATOM    295  N   ALA    18      16.860  12.033  -8.095
ATOM    296  HN  ALA    18      17.769  12.158  -7.672
ATOM    297  CA  ALA    18      16.240  10.714  -8.071
ATOM    298  HA  ALA    18      16.190  10.348  -9.075
ATOM    299  CB  ALA    18      17.083   9.749  -7.252
ATOM    300 1HB  ALA    18      18.086   9.667  -7.700
ATOM    301 2HB  ALA    18      17.171  10.123  -6.220
ATOM    302 3HB  ALA    18      16.602   8.758  -7.243
ATOM    303  C   ALA    18      14.822  10.784  -7.515
ATOM    304  O   ALA    18      13.912  10.133  -8.028
ATOM    305  N   GLU    19      14.642  11.576  -6.463
ATOM    306  HN  GLU    19      15.430  12.085  -6.088
ATOM    307  CA  GLU    19      13.334  11.728  -5.837
ATOM    308  HA  GLU    19      12.974  10.759  -5.561
ATOM    309  CB  GLU    19      13.445  12.584  -4.573
ATOM    310 2HB  GLU    19      13.889  11.989  -3.798
ATOM    311 3HB  GLU    19      14.079  13.423  -4.786
ATOM    312  CG  GLU    19      12.109  13.106  -4.072
ATOM    313 2HG  GLU    19      11.816  13.940  -4.680
ATOM    314 3HG  GLU    19      11.379  12.324  -4.161
ATOM    315  CD  GLU    19      12.164  13.556  -2.625
ATOM    316  OE1 GLU    19      11.780  12.759  -1.743
ATOM    317  OE2 GLU    19      12.590  14.702  -2.375
ATOM    318  C   GLU    19      12.337  12.359  -6.805
ATOM    319  O   GLU    19      11.275  11.799  -7.072
ATOM    320  N   GLY    20      12.689  13.530  -7.328
ATOM    321  HN  GLY    20      13.574  13.945  -7.074
ATOM    322  CA  GLY    20      11.815  14.218  -8.260
ATOM    323 2HA  GLY    20      10.924  14.515  -7.741
ATOM    324 3HA  GLY    20      12.322  15.090  -8.627
ATOM    325  C   GLY    20      11.425  13.349  -9.439
ATOM    326  O   GLY    20      10.300  13.428  -9.933
ATOM    327  N   PHE    21      12.358  12.518  -9.894
ATOM    328  HN  PHE    21      13.263  12.499  -9.445
ATOM    329  CA  PHE    21      12.107  11.633 -11.025
ATOM    330  HA  PHE    21      11.603  12.189 -11.787
ATOM    331  CB  PHE    21      13.428  11.112 -11.595
ATOM    332 2HB  PHE    21      13.960  10.608 -10.812
ATOM    333 3HB  PHE    21      13.208  10.417 -12.382
ATOM    334  CG  PHE    21      14.310  12.194 -12.149
ATOM    335  CD1 PHE    21      15.676  12.180 -11.918
ATOM    336  HD1 PHE    21      16.112  11.380 -11.331
ATOM    337  CE1 PHE    21      16.490  13.174 -12.427
ATOM    338  HE1 PHE    21      17.557  13.150 -12.240
ATOM    339  CZ  PHE    21      15.942  14.198 -13.174
ATOM    340  HZ  PHE    21      16.578  14.980 -13.573
ATOM    341  CE2 PHE    21      14.581  14.224 -13.412
ATOM    342  HE2 PHE    21      14.148  15.026 -13.999
ATOM    343  CD2 PHE    21      13.772  13.227 -12.901
ATOM    344  HD2 PHE    21      12.705  13.253 -13.090
ATOM    345  C   PHE    21      11.221  10.461 -10.612
ATOM    346  O   PHE    21      10.432   9.954 -11.409
ATOM    347  N   ALA    22      11.359  10.035  -9.360
ATOM    348  HN  ALA    22      12.026  10.492  -8.755
ATOM    349  CA  ALA    22      10.571   8.924  -8.840
ATOM    350  HA  ALA    22      10.636   8.112  -9.534
ATOM    351  CB  ALA    22      11.133   8.459  -7.505
ATOM    352 1HB  ALA    22      12.175   8.129  -7.640
ATOM    353 2HB  ALA    22      11.102   9.291  -6.784
ATOM    354 3HB  ALA    22      10.529   7.621  -7.125
ATOM    355  C   ALA    22       9.104   9.313  -8.692
ATOM    356  O   ALA    22       8.211   8.483  -8.861
ATOM    357  N   LYS    23       8.862  10.581  -8.376
ATOM    358  HN  LYS    23       9.639  11.214  -8.250
ATOM    359  CA  LYS    23       7.503  11.082  -8.206
ATOM    360  HA  LYS    23       6.903  10.303  -7.784
ATOM    361  CB  LYS    23       7.494  12.276  -7.250
ATOM    362 2HB  LYS    23       6.507  12.698  -7.243
ATOM    363 3HB  LYS    23       7.739  11.925  -6.266
ATOM    364  CG  LYS    23       8.480  13.367  -7.630
ATOM    365 2HG  LYS    23       9.467  12.948  -7.664
ATOM    366 3HG  LYS    23       8.220  13.750  -8.598
ATOM    367  CD  LYS    23       8.462  14.508  -6.627
ATOM    368 2HD  LYS    23       7.958  14.182  -5.738
ATOM    369 3HD  LYS    23       9.473  14.777  -6.387
ATOM    370  CE  LYS    23       7.745  15.728  -7.183
ATOM    371 2HE  LYS    23       8.370  16.191  -7.921
ATOM    372 3HE  LYS    23       6.827  15.413  -7.639
ATOM    373  NZ  LYS    23       7.437  16.724  -6.119
ATOM    374 1HZ  LYS    23       6.841  16.297  -5.419
ATOM    375 2HZ  LYS    23       8.300  17.033  -5.685
ATOM    376 3HZ  LYS    23       6.961  17.520  -6.529
ATOM    377  C   LYS    23       6.901  11.486  -9.548
ATOM    378  O   LYS    23       5.820  12.074  -9.603
ATOM    379  N   THR    24       7.606  11.166 -10.629
ATOM    380  HN  THR    24       8.486  10.683 -10.518
ATOM    381  CA  THR    24       7.140  11.496 -11.970
ATOM    382  HA  THR    24       6.204  12.008 -11.886
ATOM    383  CB  THR    24       8.135  12.418 -12.699
ATOM    384  HB  THR    24       9.117  12.003 -12.609
ATOM    385  CG2 THR    24       7.786  12.531 -14.176
ATOM    386 1HG2 THR    24       7.823  11.533 -14.639
ATOM    387 2HG2 THR    24       6.773  12.948 -14.283
ATOM    388 3HG2 THR    24       8.510  13.194 -14.675
ATOM    389  OG1 THR    24       8.128  13.719 -12.101
ATOM    390 1HG  THR    24       8.751  14.286 -12.562
ATOM    391  C   THR    24       6.927  10.237 -12.803
ATOM    392  O   THR    24       6.119  10.226 -13.733
ATOM    393  N   LEU    25       7.654   9.179 -12.463
ATOM    394  HN  LEU    25       8.299   9.252 -11.689
ATOM    395  CA  LEU    25       7.543   7.913 -13.180
ATOM    396  HA  LEU    25       6.865   8.043 -13.998
ATOM    397  CB  LEU    25       8.906   7.499 -13.738
ATOM    398 2HB  LEU    25       9.472   7.067 -12.935
ATOM    399 3HB  LEU    25       8.739   6.759 -14.496
ATOM    400  CG  LEU    25       9.747   8.618 -14.354
ATOM    401  HG  LEU    25       9.608   9.504 -13.771
ATOM    402  CD1 LEU    25      11.223   8.254 -14.327
ATOM    403 1HD1 LEU    25      11.544   8.099 -13.285
ATOM    404 2HD1 LEU    25      11.383   7.329 -14.902
ATOM    405 3HD1 LEU    25      11.811   9.071 -14.774
ATOM    406  CD2 LEU    25       9.292   8.904 -15.778
ATOM    407 1HD2 LEU    25       9.404   7.995 -16.389
ATOM    408 2HD2 LEU    25       8.235   9.213 -15.771
ATOM    409 3HD2 LEU    25       9.908   9.711 -16.205
ATOM    410  C   LEU    25       7.000   6.817 -12.269
ATOM    411  O   LEU    25       6.340   5.885 -12.727
ATOM    412  N   GLY    26       7.281   6.937 -10.975
ATOM    413  HN  GLY    26       7.828   7.723 -10.654
ATOM    414  CA  GLY    26       6.811   5.951 -10.019
ATOM    415 2HA  GLY    26       6.532   5.062 -10.551
ATOM    416 3HA  GLY    26       7.608   5.725  -9.338
ATOM    417  C   GLY    26       5.615   6.437  -9.224
ATOM    418  O   GLY    26       4.808   5.637  -8.753
ATOM    419  N   ALA    27       5.503   7.753  -9.074
ATOM    420  HN  ALA    27       6.200   8.357  -9.485
ATOM    421  CA  ALA    27       4.397   8.345  -8.330
ATOM    422  HA  ALA    27       4.532   8.122  -7.292
ATOM    423  CB  ALA    27       4.398   9.857  -8.499
ATOM    424 1HB  ALA    27       5.347  10.268  -8.121
ATOM    425 2HB  ALA    27       4.289  10.107  -9.566
ATOM    426 3HB  ALA    27       3.559  10.290  -7.933
ATOM    427  C   ALA    27       3.061   7.761  -8.777
ATOM    428  O   ALA    27       2.770   7.693  -9.970
ATOM    429  N   GLY    28       2.251   7.340  -7.810
ATOM    430  HN  GLY    28       2.541   7.420  -6.846
ATOM    431  CA  GLY    28       0.955   6.767  -8.124
ATOM    432 2HA  GLY    28       0.190   7.440  -7.787
ATOM    433 3HA  GLY    28       0.881   6.645  -9.187
ATOM    434  C   GLY    28       0.742   5.419  -7.464
ATOM    435  O   GLY    28      -0.377   5.074  -7.086
ATOM    436  N   LYS    29       1.819   4.653  -7.327
ATOM    437  HN  LYS    29       2.710   4.993  -7.659
ATOM    438  CA  LYS    29       1.746   3.334  -6.709
ATOM    439  HA  LYS    29       0.794   3.234  -6.230
ATOM    440  CB  LYS    29       1.874   2.242  -7.773
ATOM    441 2HB  LYS    29       2.184   1.334  -7.292
ATOM    442 3HB  LYS    29       0.912   2.096  -8.226
ATOM    443  CG  LYS    29       2.875   2.572  -8.867
ATOM    444 2HG  LYS    29       2.628   2.009  -9.747
ATOM    445 3HG  LYS    29       2.819   3.621  -9.086
ATOM    446  CD  LYS    29       4.294   2.231  -8.445
ATOM    447 2HD  LYS    29       4.981   2.697  -9.125
ATOM    448 3HD  LYS    29       4.463   2.606  -7.454
ATOM    449  CE  LYS    29       4.532   0.729  -8.453
ATOM    450 2HE  LYS    29       5.507   0.530  -8.052
ATOM    451 3HE  LYS    29       3.790   0.257  -7.839
ATOM    452  NZ  LYS    29       4.452   0.162  -9.827
ATOM    453 1HZ  LYS    29       3.531   0.340 -10.213
ATOM    454 2HZ  LYS    29       5.155   0.598 -10.414
ATOM    455 3HZ  LYS    29       4.616  -0.838  -9.790
ATOM    456  C   LYS    29       2.839   3.165  -5.658
ATOM    457  O   LYS    29       2.828   2.204  -4.887
ATOM    458  N   ILE    30       3.779   4.103  -5.632
ATOM    459  HN  ILE    30       3.732   4.866  -6.292
ATOM    460  CA  ILE    30       4.877   4.058  -4.674
ATOM    461  HA  ILE    30       4.584   3.437  -3.853
ATOM    462  CB  ILE    30       6.149   3.461  -5.304
ATOM    463  HB  ILE    30       6.963   3.603  -4.624
ATOM    464  CG2 ILE    30       5.973   1.968  -5.540
ATOM    465 1HG2 ILE    30       5.778   1.465  -4.580
ATOM    466 2HG2 ILE    30       5.124   1.802  -6.221
ATOM    467 3HG2 ILE    30       6.890   1.557  -5.990
ATOM    468  CG1 ILE    30       6.481   4.177  -6.614
ATOM    469 2HG1 ILE    30       6.192   3.543  -7.430
ATOM    470 3HG1 ILE    30       5.919   5.090  -6.654
ATOM    471  CD1 ILE    30       7.949   4.512  -6.765
ATOM    472 1HD1 ILE    30       8.261   5.172  -5.941
ATOM    473 2HD1 ILE    30       8.542   3.585  -6.737
ATOM    474 3HD1 ILE    30       8.112   5.023  -7.726
ATOM    475  C   ILE    30       5.194   5.448  -4.136
ATOM    476  O   ILE    30       5.070   6.444  -4.848
ATOM    477  N   ALA    31       5.606   5.508  -2.873
ATOM    478  HN  ALA    31       5.686   4.654  -2.340
ATOM    479  CA  ALA    31       5.945   6.777  -2.240
ATOM    480  HA  ALA    31       5.433   7.560  -2.760
ATOM    481  CB  ALA    31       5.483   6.783  -0.790
ATOM    482 1HB  ALA    31       4.392   6.642  -0.752
ATOM    483 2HB  ALA    31       5.978   5.965  -0.244
ATOM    484 3HB  ALA    31       5.745   7.746  -0.325
ATOM    485  C   ALA    31       7.443   7.048  -2.321
ATOM    486  O   ALA    31       8.257   6.227  -1.896
ATOM    487  N   VAL    32       7.802   8.204  -2.870
ATOM    488  HN  VAL    32       7.086   8.836  -3.200
ATOM    489  CA  VAL    32       9.203   8.583  -3.007
ATOM    490  HA  VAL    32       9.795   7.692  -3.017
ATOM    491  CB  VAL    32       9.452   9.347  -4.321
ATOM    492  HB  VAL    32       9.237   8.690  -5.138
ATOM    493  CG1 VAL    32       8.529  10.551  -4.422
ATOM    494 1HG1 VAL    32       7.481  10.213  -4.398
ATOM    495 2HG1 VAL    32       8.715  11.228  -3.574
ATOM    496 3HG1 VAL    32       8.722  11.083  -5.366
ATOM    497  CG2 VAL    32      10.909   9.772  -4.421
ATOM    498 1HG2 VAL    32      11.159  10.428  -3.573
ATOM    499 2HG2 VAL    32      11.554   8.880  -4.398
ATOM    500 3HG2 VAL    32      11.069  10.316  -5.365
ATOM    501  C   VAL    32       9.655   9.448  -1.836
ATOM    502  O   VAL    32       8.912  10.306  -1.359
ATOM    503  N   THR    33      10.881   9.217  -1.375
ATOM    504  HN  THR    33      11.443   8.499  -1.809
ATOM    505  CA  THR    33      11.433   9.974  -0.259
ATOM    506  HA  THR    33      11.114  10.991  -0.350
ATOM    507  CB  THR    33      10.935   9.427   1.092
ATOM    508  HB  THR    33      11.497   8.550   1.336
ATOM    509  CG2 THR    33      11.129  10.454   2.197
ATOM    510 1HG2 THR    33      12.199  10.699   2.287
ATOM    511 2HG2 THR    33      10.563  11.366   1.954
ATOM    512 3HG2 THR    33      10.766  10.040   3.151
ATOM    513  OG1 THR    33       9.550   9.075   0.998
ATOM    514 1HG  THR    33       9.248   8.735   1.844
ATOM    515  C   THR    33      12.957   9.945  -0.275
ATOM    516  O   THR    33      13.569   8.888  -0.123
ATOM    517  N   SER    34      13.564  11.113  -0.460
ATOM    518  HN  SER    34      13.005  11.946  -0.576
ATOM    519  CA  SER    34      15.018  11.221  -0.499
ATOM    520  HA  SER    34      15.415  10.320  -0.919
ATOM    521  CB  SER    34      15.440  12.397  -1.382
ATOM    522 2HB  SER    34      16.440  12.688  -1.124
ATOM    523 3HB  SER    34      15.410  12.092  -2.410
ATOM    524  OG  SER    34      14.575  13.505  -1.203
ATOM    525  HG  SER    34      14.860  14.228  -1.767
ATOM    526  C   SER    34      15.588  11.394   0.906
ATOM    527  O   SER    34      14.847  11.604   1.867
ATOM    528  N   CYS    35      16.909  11.305   1.016
ATOM    529  HN  CYS    35      17.462  11.132   0.189
ATOM    530  CA  CYS    35      17.580  11.451   2.303
ATOM    531  HA  CYS    35      17.123  12.259   2.835
ATOM    532  CB  CYS    35      17.424  10.174   3.131
ATOM    533 2HB  CYS    35      17.249   9.356   2.459
ATOM    534 3HB  CYS    35      18.338  10.007   3.668
ATOM    535  SG  CYS    35      16.066  10.229   4.324
ATOM    536  HG  CYS    35      16.014   9.079   4.990
ATOM    537  C   CYS    35      19.059  11.770   2.112
ATOM    538  O   CYS    35      19.539  11.884   0.985
ATOM    539  N   GLY    36      19.776  11.914   3.222
ATOM    540  HN  GLY    36      19.330  11.809   4.122
ATOM    541  CA  GLY    36      21.193  12.221   3.155
ATOM    542 2HA  GLY    36      21.622  11.687   2.329
ATOM    543 3HA  GLY    36      21.310  13.276   2.997
ATOM    544  C   GLY    36      21.931  11.834   4.421
ATOM    545  O   GLY    36      21.508  12.181   5.525
ATOM    546  N   LEU    37      23.035  11.113   4.264
ATOM    547  HN  LEU    37      23.330  10.861   3.332
ATOM    548  CA  LEU    37      23.833  10.676   5.405
ATOM    549  HA  LEU    37      23.320   9.873   5.892
ATOM    550  CB  LEU    37      25.197  10.168   4.934
ATOM    551 2HB  LEU    37      25.665  10.955   4.375
ATOM    552 3HB  LEU    37      25.784   9.949   5.805
ATOM    553  CG  LEU    37      25.180   8.917   4.055
ATOM    554  HG  LEU    37      24.494   9.080   3.250
ATOM    555  CD1 LEU    37      26.558   8.660   3.466
ATOM    556 1HD1 LEU    37      26.862   9.523   2.853
ATOM    557 2HD1 LEU    37      27.284   8.514   4.281
ATOM    558 3HD1 LEU    37      26.526   7.757   2.837
ATOM    559  CD2 LEU    37      24.705   7.711   4.852
ATOM    560 1HD2 LEU    37      25.385   7.542   5.701
ATOM    561 2HD2 LEU    37      23.687   7.897   5.228
ATOM    562 3HD2 LEU    37      24.700   6.821   4.203
ATOM    563  C   LEU    37      24.019  11.812   6.406
ATOM    564  O   LEU    37      23.857  11.622   7.611
ATOM    565  N   GLU    38      24.357  12.993   5.897
ATOM    566  HN  GLU    38      24.474  13.084   4.898
ATOM    567  CA  GLU    38      24.563  14.159   6.747
ATOM    568  HA  GLU    38      24.406  13.870   7.765
ATOM    569  CB  GLU    38      25.996  14.676   6.604
ATOM    570 2HB  GLU    38      26.303  14.547   5.584
ATOM    571 3HB  GLU    38      26.006  15.720   6.851
ATOM    572  CG  GLU    38      26.993  13.961   7.500
ATOM    573 2HG  GLU    38      26.480  13.615   8.377
ATOM    574 3HG  GLU    38      27.395  13.121   6.966
ATOM    575  CD  GLU    38      28.139  14.857   7.929
ATOM    576  OE1 GLU    38      28.695  14.626   9.024
ATOM    577  OE2 GLU    38      28.480  15.790   7.171
ATOM    578  C   GLU    38      23.574  15.268   6.399
ATOM    579  O   GLU    38      23.640  16.368   6.948
ATOM    580  N   SER    39      22.658  14.970   5.483
ATOM    581  HN  SER    39      22.655  14.048   5.071
ATOM    582  CA  SER    39      21.658  15.942   5.058
ATOM    583  HA  SER    39      21.042  15.491   4.309
ATOM    584  CB  SER    39      20.772  16.344   6.239
ATOM    585 2HB  SER    39      19.775  16.521   5.885
ATOM    586 3HB  SER    39      20.760  15.546   6.956
ATOM    587  OG  SER    39      21.258  17.520   6.863
ATOM    588  HG  SER    39      20.687  17.751   7.599
ATOM    589  C   SER    39      22.321  17.179   4.460
ATOM    590  O   SER    39      23.537  17.351   4.554
ATOM    591  N   SER    40      21.514  18.037   3.846
ATOM    592  HN  SER    40      20.524  17.840   3.805
ATOM    593  CA  SER    40      22.022  19.257   3.229
ATOM    594  HA  SER    40      22.469  19.863   3.989
ATOM    595  CB  SER    40      23.088  18.920   2.185
ATOM    596 2HB  SER    40      23.358  17.886   2.280
ATOM    597 3HB  SER    40      22.687  19.096   1.205
ATOM    598  OG  SER    40      24.245  19.718   2.362
ATOM    599  HG  SER    40      24.897  19.488   1.696
ATOM    600  C   SER    40      20.891  20.049   2.580
ATOM    601  O   SER    40      19.714  19.777   2.815
ATOM    602  N   ARG    41      21.258  21.031   1.763
ATOM    603  HN  ARG    41      22.241  21.204   1.611
ATOM    604  CA  ARG    41      20.275  21.865   1.081
ATOM    605  HA  ARG    41      19.317  21.698   1.528
ATOM    606  CB  ARG    41      20.635  23.344   1.236
ATOM    607 2HB  ARG    41      19.871  23.930   0.763
ATOM    608 3HB  ARG    41      20.668  23.577   2.283
ATOM    609  CG  ARG    41      21.974  23.713   0.619
ATOM    610 2HG  ARG    41      22.469  22.817   0.298
ATOM    611 3HG  ARG    41      21.804  24.351  -0.227
ATOM    612  CD  ARG    41      22.864  24.439   1.614
ATOM    613 2HD  ARG    41      22.714  24.013   2.587
ATOM    614 3HD  ARG    41      23.888  24.310   1.321
ATOM    615  NE  ARG    41      22.567  25.868   1.674
ATOM    616  HE  ARG    41      22.062  26.217   2.476
ATOM    617  CZ  ARG    41      22.925  26.733   0.732
ATOM    618  NH1 ARG    41      23.589  26.317  -0.337
ATOM    619 1HH1 ARG    41      23.824  25.340  -0.437
ATOM    620 2HH1 ARG    41      23.860  26.977  -1.052
ATOM    621  NH2 ARG    41      22.618  28.018   0.858
ATOM    622 1HH2 ARG    41      22.112  28.339   1.671
ATOM    623 2HH2 ARG    41      22.890  28.675   0.141
ATOM    624  C   ARG    41      20.190  21.503  -0.399
ATOM    625  O   ARG    41      21.181  21.102  -1.009
ATOM    626  N   VAL    42      18.998  21.648  -0.970
ATOM    627  HN  VAL    42      18.223  21.982  -0.415
ATOM    628  CA  VAL    42      18.783  21.337  -2.378
ATOM    629  HA  VAL    42      18.881  20.280  -2.510
ATOM    630  CB  VAL    42      17.373  21.756  -2.836
ATOM    631  HB  VAL    42      16.766  21.896  -1.966
ATOM    632  CG1 VAL    42      17.427  23.072  -3.597
ATOM    633 1HG1 VAL    42      17.838  23.857  -2.944
ATOM    634 2HG1 VAL    42      18.071  22.958  -4.483
ATOM    635 3HG1 VAL    42      16.411  23.354  -3.915
ATOM    636  CG2 VAL    42      16.743  20.664  -3.687
ATOM    637 1HG2 VAL    42      17.369  20.484  -4.575
ATOM    638 2HG2 VAL    42      16.667  19.737  -3.097
ATOM    639 3HG2 VAL    42      15.737  20.981  -4.005
ATOM    640  C   VAL    42      19.817  22.030  -3.258
ATOM    641  O   VAL    42      20.345  23.084  -2.903
ATOM    642  N   HIS    43      20.102  21.431  -4.410
ATOM    643  HN  HIS    43      19.634  20.567  -4.645
ATOM    644  CA  HIS    43      21.074  21.991  -5.343
ATOM    645  HA  HIS    43      21.765  22.595  -4.793
ATOM    646  CB  HIS    43      21.850  20.871  -6.037
ATOM    647 2HB  HIS    43      21.654  19.951  -5.520
ATOM    648 3HB  HIS    43      21.502  20.793  -7.049
ATOM    649  CG  HIS    43      23.331  21.095  -6.061
ATOM    650  ND1 HIS    43      24.013  21.501  -7.188
ATOM    651  HD1 HIS    43      23.595  21.684  -8.089
ATOM    652  CE1 HIS    43      25.298  21.613  -6.907
ATOM    653  HE1 HIS    43      26.075  21.913  -7.601
ATOM    654  NE2 HIS    43      25.476  21.297  -5.637
ATOM    655  CD2 HIS    43      24.261  20.969  -5.086
ATOM    656  HD2 HIS    43      24.081  20.666  -4.061
ATOM    657  C   HIS    43      20.384  22.868  -6.384
ATOM    658  O   HIS    43      19.287  22.568  -6.855
ATOM    659  N   PRO    44      21.041  23.978  -6.751
ATOM    660  CD  PRO    44      22.353  24.398  -6.231
ATOM    661 2HD  PRO    44      23.061  23.593  -6.281
ATOM    662 3HD  PRO    44      22.272  24.741  -5.217
ATOM    663  CG  PRO    44      22.749  25.521  -7.149
ATOM    664 2HG  PRO    44      23.337  25.146  -7.965
ATOM    665 3HG  PRO    44      23.312  26.260  -6.613
ATOM    666  CB  PRO    44      21.475  26.106  -7.654
ATOM    667 2HB  PRO    44      21.619  26.548  -8.621
ATOM    668 3HB  PRO    44      21.104  26.848  -6.974
ATOM    669  CA  PRO    44      20.510  24.922  -7.740
ATOM    670  HA  PRO    44      19.523  25.230  -7.463
ATOM    671  C   PRO    44      20.503  24.341  -9.150
ATOM    672  O   PRO    44      19.483  24.370  -9.840
ATOM    673  N   THR    45      21.647  23.813  -9.573
ATOM    674  HN  THR    45      22.449  23.819  -8.959
ATOM    675  CA  THR    45      21.773  23.226 -10.901
ATOM    676  HA  THR    45      21.587  23.990 -11.627
ATOM    677  CB  THR    45      23.188  22.667 -11.137
ATOM    678  HB  THR    45      23.414  21.965 -10.362
ATOM    679  CG2 THR    45      23.274  21.957 -12.480
ATOM    680 1HG2 THR    45      22.556  21.123 -12.501
ATOM    681 2HG2 THR    45      23.035  22.667 -13.287
ATOM    682 3HG2 THR    45      24.294  21.567 -12.624
ATOM    683  OG1 THR    45      24.148  23.728 -11.090
ATOM    684 1HG  THR    45      25.027  23.371 -11.238
ATOM    685  C   THR    45      20.756  22.109 -11.107
ATOM    686  O   THR    45      20.251  21.912 -12.212
ATOM    687  N   ALA    46      20.461  21.379 -10.036
ATOM    688  HN  ALA    46      20.912  21.589  -9.157
ATOM    689  CA  ALA    46      19.502  20.283 -10.099
ATOM    690  HA  ALA    46      19.887  19.537 -10.762
ATOM    691  CB  ALA    46      19.326  19.656  -8.724
ATOM    692 1HB  ALA    46      20.294  19.267  -8.371
ATOM    693 2HB  ALA    46      18.957  20.416  -8.018
ATOM    694 3HB  ALA    46      18.600  18.831  -8.787
ATOM    695  C   ALA    46      18.159  20.759 -10.642
ATOM    696  O   ALA    46      17.535  20.084 -11.461
ATOM    697  N   ILE    47      17.718  21.924 -10.179
ATOM    698  HN  ILE    47      18.276  22.430  -9.506
ATOM    699  CA  ILE    47      16.449  22.490 -10.618
ATOM    700  HA  ILE    47      15.661  21.841 -10.297
ATOM    701  CB  ILE    47      16.211  23.883 -10.005
ATOM    702  HB  ILE    47      17.081  24.482 -10.174
ATOM    703  CG2 ILE    47      15.022  24.559 -10.673
ATOM    704 1HG2 ILE    47      15.220  24.670 -11.750
ATOM    705 2HG2 ILE    47      14.121  23.944 -10.527
ATOM    706 3HG2 ILE    47      14.865  25.552 -10.225
ATOM    707  CG1 ILE    47      15.987  23.768  -8.496
ATOM    708 2HG1 ILE    47      15.101  24.317  -8.241
ATOM    709 3HG1 ILE    47      15.849  22.733  -8.251
ATOM    710  CD1 ILE    47      17.137  24.306  -7.673
ATOM    711 1HD1 ILE    47      18.054  23.746  -7.914
ATOM    712 2HD1 ILE    47      17.286  25.372  -7.904
ATOM    713 3HD1 ILE    47      16.907  24.191  -6.602
ATOM    714  C   ILE    47      16.392  22.599 -12.138
ATOM    715  O   ILE    47      15.344  22.389 -12.747
ATOM    716  N   ALA    48      17.528  22.927 -12.745
ATOM    717  HN  ALA    48      18.355  23.088 -12.188
ATOM    718  CA  ALA    48      17.609  23.060 -14.194
ATOM    719  HA  ALA    48      16.839  23.731 -14.514
ATOM    720  CB  ALA    48      18.954  23.648 -14.595
ATOM    721 1HB  ALA    48      19.072  24.642 -14.135
ATOM    722 2HB  ALA    48      19.762  22.985 -14.249
ATOM    723 3HB  ALA    48      19.001  23.743 -15.691
ATOM    724  C   ALA    48      17.391  21.716 -14.882
ATOM    725  O   ALA    48      16.499  21.574 -15.717
ATOM    726  N   MET    49      18.213  20.734 -14.525
ATOM    727  HN  MET    49      18.927  20.915 -13.834
ATOM    728  CA  MET    49      18.108  19.402 -15.108
ATOM    729  HA  MET    49      18.372  19.462 -16.143
ATOM    730  CB  MET    49      19.075  18.440 -14.414
ATOM    731 2HB  MET    49      18.570  17.996 -13.578
ATOM    732 3HB  MET    49      19.352  17.674 -15.113
ATOM    733  CG  MET    49      20.342  19.112 -13.910
ATOM    734 2HG  MET    49      20.090  19.738 -13.076
ATOM    735 3HG  MET    49      21.030  18.353 -13.593
ATOM    736  SD  MET    49      21.140  20.124 -15.170
ATOM    737  CE  MET    49      21.534  18.885 -16.402
ATOM    738 1HE  MET    49      22.199  18.127 -15.960
ATOM    739 2HE  MET    49      20.606  18.403 -16.747
ATOM    740 3HE  MET    49      22.039  19.364 -17.255
ATOM    741  C   MET    49      16.682  18.872 -15.002
ATOM    742  O   MET    49      16.056  18.541 -16.009
ATOM    743  N   MET    50      16.174  18.794 -13.776
ATOM    744  HN  MET    50      16.739  19.081 -12.989
ATOM    745  CA  MET    50      14.821  18.304 -13.540
ATOM    746  HA  MET    50      14.770  17.281 -13.850
ATOM    747  CB  MET    50      14.482  18.379 -12.050
ATOM    748 2HB  MET    50      14.702  19.370 -11.701
ATOM    749 3HB  MET    50      13.434  18.183 -11.930
ATOM    750  CG  MET    50      15.257  17.387 -11.199
ATOM    751 2HG  MET    50      15.662  16.628 -11.840
ATOM    752 3HG  MET    50      16.058  17.907 -10.710
ATOM    753  SD  MET    50      14.231  16.597  -9.945
ATOM    754  CE  MET    50      13.111  15.648 -10.971
ATOM    755 1HE  MET    50      12.552  16.329 -11.632
ATOM    756 2HE  MET    50      13.687  14.935 -11.581
ATOM    757 3HE  MET    50      12.405  15.096 -10.331
ATOM    758  C   MET    50      13.804  19.107 -14.346
ATOM    759  O   MET    50      12.837  18.553 -14.868
ATOM    760  N   GLU    51      14.030  20.413 -14.442
ATOM    761  HN  GLU    51      14.843  20.807 -13.990
ATOM    762  CA  GLU    51      13.132  21.290 -15.184
ATOM    763  HA  GLU    51      12.143  21.174 -14.793
ATOM    764  CB  GLU    51      13.554  22.751 -15.014
ATOM    765 2HB  GLU    51      14.616  22.782 -14.865
ATOM    766 3HB  GLU    51      13.303  23.283 -15.911
ATOM    767  CG  GLU    51      12.884  23.446 -13.840
ATOM    768 2HG  GLU    51      12.731  22.728 -13.057
ATOM    769 3HG  GLU    51      13.531  24.226 -13.488
ATOM    770  CD  GLU    51      11.545  24.055 -14.210
ATOM    771  OE1 GLU    51      10.506  23.498 -13.797
ATOM    772  OE2 GLU    51      11.536  25.087 -14.913
ATOM    773  C   GLU    51      13.114  20.924 -16.665
ATOM    774  O   GLU    51      12.120  21.143 -17.357
ATOM    775  N   GLU    52      14.222  20.366 -17.144
ATOM    776  HN  GLU    52      15.004  20.212 -16.524
ATOM    777  CA  GLU    52      14.334  19.971 -18.543
ATOM    778  HA  GLU    52      14.015  20.789 -19.154
ATOM    779  CB  GLU    52      15.788  19.643 -18.889
ATOM    780 2HB  GLU    52      16.055  18.726 -18.399
ATOM    781 3HB  GLU    52      15.863  19.516 -19.952
ATOM    782  CG  GLU    52      16.772  20.719 -18.463
ATOM    783 2HG  GLU    52      16.232  21.630 -18.290
ATOM    784 3HG  GLU    52      17.249  20.408 -17.554
ATOM    785  CD  GLU    52      17.840  20.979 -19.507
ATOM    786  OE1 GLU    52      18.405  19.998 -20.035
ATOM    787  OE2 GLU    52      18.111  22.163 -19.797
ATOM    788  C   GLU    52      13.445  18.767 -18.841
ATOM    789  O   GLU    52      12.906  18.636 -19.940
ATOM    790  N   VAL    53      13.296  17.889 -17.854
ATOM    791  HN  VAL    53      13.765  18.053 -16.975
ATOM    792  CA  VAL    53      12.473  16.696 -18.009
ATOM    793  HA  VAL    53      12.583  16.337 -19.011
ATOM    794  CB  VAL    53      12.913  15.581 -17.042
ATOM    795  HB  VAL    53      12.781  14.640 -17.533
ATOM    796  CG1 VAL    53      14.385  15.731 -16.687
ATOM    797 1HG1 VAL    53      14.992  15.669 -17.604
ATOM    798 2HG1 VAL    53      14.549  16.707 -16.204
ATOM    799 3HG1 VAL    53      14.680  14.926 -15.996
ATOM    800  CG2 VAL    53      12.050  15.591 -15.789
ATOM    801 1HG2 VAL    53      12.150  16.563 -15.283
ATOM    802 2HG2 VAL    53      10.997  15.428 -16.067
ATOM    803 3HG2 VAL    53      12.379  14.789 -15.111
ATOM    804  C   VAL    53      11.000  17.010 -17.769
ATOM    805  O   VAL    53      10.117  16.333 -18.293
ATOM    806  N   GLY    54      10.743  18.042 -16.971
ATOM    807  HN  GLY    54      11.508  18.563 -16.566
ATOM    808  CA  GLY    54       9.376  18.428 -16.676
ATOM    809 2HA  GLY    54       9.204  19.412 -17.068
ATOM    810 3HA  GLY    54       8.712  17.733 -17.152
ATOM    811  C   GLY    54       9.085  18.439 -15.188
ATOM    812  O   GLY    54       7.927  18.380 -14.775
ATOM    813  N   ILE    55      10.139  18.514 -14.382
ATOM    814  HN  ILE    55      11.065  18.560 -14.783
ATOM    815  CA  ILE    55       9.990  18.532 -12.932
ATOM    816  HA  ILE    55       8.964  18.728 -12.700
ATOM    817  CB  ILE    55      10.379  17.178 -12.309
ATOM    818  HB  ILE    55      11.446  17.094 -12.317
ATOM    819  CG2 ILE    55       9.900  17.101 -10.867
ATOM    820 1HG2 ILE    55      10.363  17.911 -10.283
ATOM    821 2HG2 ILE    55       8.805  17.208 -10.838
ATOM    822 3HG2 ILE    55      10.186  16.129 -10.437
ATOM    823  CG1 ILE    55       9.795  16.028 -13.132
ATOM    824 2HG1 ILE    55       8.811  15.812 -12.763
ATOM    825 3HG1 ILE    55       9.732  16.341 -14.156
ATOM    826  CD1 ILE    55      10.619  14.761 -13.069
ATOM    827 1HD1 ILE    55      11.631  14.962 -13.455
ATOM    828 2HD1 ILE    55      10.686  14.418 -12.025
ATOM    829 3HD1 ILE    55      10.141  13.981 -13.682
ATOM    830  C   ILE    55      10.843  19.630 -12.305
ATOM    831  O   ILE    55      11.799  20.112 -12.915
ATOM    832  N   ASP    56      10.493  20.020 -11.085
ATOM    833  HN  ASP    56       9.698  19.586 -10.638
ATOM    834  CA  ASP    56      11.228  21.060 -10.374
ATOM    835  HA  ASP    56      12.172  21.201 -10.858
ATOM    836  CB  ASP    56      10.457  22.380 -10.418
ATOM    837 2HB  ASP    56       9.818  22.377 -11.280
ATOM    838 3HB  ASP    56       9.859  22.460  -9.531
ATOM    839  CG  ASP    56      11.375  23.584 -10.496
ATOM    840  OD1 ASP    56      11.126  24.468 -11.342
ATOM    841  OD2 ASP    56      12.343  23.643  -9.709
ATOM    842  C   ASP    56      11.481  20.652  -8.926
ATOM    843  O   ASP    56      10.629  20.034  -8.287
ATOM    844  N   ILE    57      12.657  21.002  -8.415
ATOM    845  HN  ILE    57      13.314  21.509  -8.991
ATOM    846  CA  ILE    57      13.022  20.672  -7.043
ATOM    847  HA  ILE    57      12.310  19.969  -6.664
ATOM    848  CB  ILE    57      14.421  20.033  -6.970
ATOM    849  HB  ILE    57      15.102  20.752  -6.566
ATOM    850  CG2 ILE    57      14.402  18.819  -6.054
ATOM    851 1HG2 ILE    57      14.095  19.127  -5.043
ATOM    852 2HG2 ILE    57      13.688  18.076  -6.444
ATOM    853 3HG2 ILE    57      15.408  18.375  -6.013
ATOM    854  CG1 ILE    57      14.901  19.643  -8.370
ATOM    855 2HG1 ILE    57      14.181  18.975  -8.802
ATOM    856 3HG1 ILE    57      14.966  20.532  -8.967
ATOM    857  CD1 ILE    57      16.251  18.962  -8.378
ATOM    858 1HD1 ILE    57      17.006  19.638  -7.948
ATOM    859 2HD1 ILE    57      16.200  18.040  -7.779
ATOM    860 3HD1 ILE    57      16.530  18.712  -9.413
ATOM    861  C   ILE    57      12.994  21.911  -6.154
ATOM    862  O   ILE    57      12.815  21.813  -4.940
ATOM    863  N   SER    58      13.171  23.077  -6.768
ATOM    864  HN  SER    58      13.311  23.091  -7.768
ATOM    865  CA  SER    58      13.168  24.336  -6.032
ATOM    866  HA  SER    58      14.058  24.387  -5.440
ATOM    867  CB  SER    58      13.161  25.518  -7.003
ATOM    868 2HB  SER    58      13.963  26.185  -6.750
ATOM    869 3HB  SER    58      13.302  25.152  -8.002
ATOM    870  OG  SER    58      11.934  26.224  -6.938
ATOM    871  HG  SER    58      11.955  26.959  -7.555
ATOM    872  C   SER    58      11.961  24.419  -5.103
ATOM    873  O   SER    58      12.032  25.011  -4.027
ATOM    874  N   GLY    59      10.852  23.821  -5.527
ATOM    875  HN  GLY    59      10.850  23.349  -6.420
ATOM    876  CA  GLY    59       9.645  23.839  -4.722
ATOM    877 2HA  GLY    59       9.443  24.851  -4.426
ATOM    878 3HA  GLY    59       8.830  23.471  -5.315
ATOM    879  C   GLY    59       9.766  22.983  -3.477
ATOM    880  O   GLY    59       9.241  23.335  -2.421
ATOM    881  N   GLN    60      10.458  21.855  -3.601
ATOM    882  HN  GLN    60      10.866  21.623  -4.495
ATOM    883  CA  GLN    60      10.643  20.945  -2.477
ATOM    884  HA  GLN    60       9.809  21.048  -1.815
ATOM    885  CB  GLN    60      10.697  19.497  -2.968
ATOM    886 2HB  GLN    60      10.750  18.850  -2.113
ATOM    887 3HB  GLN    60       9.798  19.291  -3.517
ATOM    888  CG  GLN    60      11.888  19.204  -3.867
ATOM    889 2HG  GLN    60      11.578  19.300  -4.890
ATOM    890 3HG  GLN    60      12.660  19.919  -3.659
ATOM    891  CD  GLN    60      12.447  17.811  -3.657
ATOM    892  OE1 GLN    60      12.929  17.479  -2.574
ATOM    893  NE2 GLN    60      12.387  16.986  -4.696
ATOM    894 1HE2 GLN    60      12.745  16.045  -4.615
ATOM    895 2HE2 GLN    60      11.984  17.300  -5.567
ATOM    896  C   GLN    60      11.916  21.282  -1.708
ATOM    897  O   GLN    60      12.528  22.328  -1.926
ATOM    898  N   THR    61      12.312  20.388  -0.807
ATOM    899  HN  THR    61      11.768  19.547  -0.675
ATOM    900  CA  THR    61      13.512  20.591  -0.005
ATOM    901  HA  THR    61      14.177  21.230  -0.547
ATOM    902  CB  THR    61      13.181  21.263   1.341
ATOM    903  HB  THR    61      14.096  21.488   1.847
ATOM    904  CG2 THR    61      12.410  22.557   1.124
ATOM    905 1HG2 THR    61      13.018  23.250   0.522
ATOM    906 2HG2 THR    61      11.469  22.339   0.595
ATOM    907 3HG2 THR    61      12.185  23.018   2.098
ATOM    908  OG1 THR    61      12.410  20.374   2.157
ATOM    909 1HG  THR    61      12.209  20.801   2.993
ATOM    910  C   THR    61      14.224  19.270   0.262
ATOM    911  O   THR    61      13.855  18.232  -0.288
ATOM    912  N   SER    62      15.247  19.315   1.110
ATOM    913  HN  SER    62      15.499  20.198   1.531
ATOM    914  CA  SER    62      16.014  18.122   1.447
ATOM    915  HA  SER    62      15.819  17.372   0.709
ATOM    916  CB  SER    62      17.512  18.433   1.440
ATOM    917 2HB  SER    62      17.853  18.492   0.424
ATOM    918 3HB  SER    62      17.677  19.375   1.927
ATOM    919  OG  SER    62      18.245  17.427   2.117
ATOM    920  HG  SER    62      19.180  17.645   2.099
ATOM    921  C   SER    62      15.602  17.579   2.812
ATOM    922  O   SER    62      15.118  18.321   3.667
ATOM    923  N   ASP    63      15.797  16.280   3.009
ATOM    924  HN  ASP    63      16.197  15.724   2.267
ATOM    925  CA  ASP    63      15.448  15.636   4.270
ATOM    926  HA  ASP    63      15.185  16.394   4.978
ATOM    927  CB  ASP    63      14.245  14.712   4.079
ATOM    928 2HB  ASP    63      14.061  14.599   3.028
ATOM    929 3HB  ASP    63      14.474  13.755   4.507
ATOM    930  CG  ASP    63      12.990  15.251   4.737
ATOM    931  OD1 ASP    63      12.093  15.724   4.007
ATOM    932  OD2 ASP    63      12.904  15.198   5.981
ATOM    933  C   ASP    63      16.630  14.846   4.823
ATOM    934  O   ASP    63      17.355  14.172   4.090
ATOM    935  N   PRO    64      16.831  14.930   6.146
ATOM    936  CD  PRO    64      16.007  15.715   7.080
ATOM    937 2HD  PRO    64      14.964  15.504   6.942
ATOM    938 3HD  PRO    64      16.179  16.767   6.953
ATOM    939  CG  PRO    64      16.476  15.252   8.432
ATOM    940 2HG  PRO    64      15.868  14.439   8.780
ATOM    941 3HG  PRO    64      16.433  16.059   9.138
ATOM    942  CB  PRO    64      17.884  14.802   8.245
ATOM    943 2HB  PRO    64      18.139  14.048   8.964
ATOM    944 3HB  PRO    64      18.561  15.629   8.339
ATOM    945  CA  PRO    64      17.925  14.230   6.826
ATOM    946  HA  PRO    64      18.859  14.465   6.360
ATOM    947  C   PRO    64      17.717  12.719   6.855
ATOM    948  O   PRO    64      16.622  12.229   6.578
ATOM    949  N   ILE    65      18.774  11.988   7.191
ATOM    950  HN  ILE    65      19.646  12.451   7.406
ATOM    951  CA  ILE    65      18.705  10.533   7.257
ATOM    952  HA  ILE    65      17.880  10.206   6.659
ATOM    953  CB  ILE    65      19.990   9.884   6.709
ATOM    954  HB  ILE    65      20.203  10.309   5.750
ATOM    955  CG2 ILE    65      21.163  10.169   7.634
ATOM    956 1HG2 ILE    65      21.315  11.257   7.710
ATOM    957 2HG2 ILE    65      20.951   9.757   8.633
ATOM    958 3HG2 ILE    65      22.072   9.699   7.229
ATOM    959  CG1 ILE    65      19.792   8.376   6.539
ATOM    960 2HG1 ILE    65      19.712   7.932   7.513
ATOM    961 3HG1 ILE    65      18.882   8.212   5.995
ATOM    962  CD1 ILE    65      20.922   7.699   5.796
ATOM    963 1HD1 ILE    65      21.012   8.135   4.789
ATOM    964 2HD1 ILE    65      21.864   7.848   6.346
ATOM    965 3HD1 ILE    65      20.712   6.621   5.712
ATOM    966  C   ILE    65      18.480  10.058   8.689
ATOM    967  O   ILE    65      18.181   8.888   8.924
ATOM    968  N   GLU    66      18.623  10.975   9.641
ATOM    969  HN  GLU    66      18.868  11.920   9.383
ATOM    970  CA  GLU    66      18.434  10.648  11.049
ATOM    971  HA  GLU    66      18.478   9.585  11.161
ATOM    972  CB  GLU    66      19.546  11.273  11.894
ATOM    973 2HB  GLU    66      19.239  12.260  12.182
ATOM    974 3HB  GLU    66      19.684  10.671  12.772
ATOM    975  CG  GLU    66      20.877  11.376  11.169
ATOM    976 2HG  GLU    66      21.050  10.460  10.637
ATOM    977 3HG  GLU    66      20.827  12.190  10.472
ATOM    978  CD  GLU    66      22.039  11.616  12.113
ATOM    979  OE1 GLU    66      22.742  12.634  11.940
ATOM    980  OE2 GLU    66      22.246  10.787  13.023
ATOM    981  C   GLU    66      17.073  11.133  11.542
ATOM    982  O   GLU    66      16.952  11.654  12.649
ATOM    983  N   ASN    67      16.052  10.957  10.709
ATOM    984  HN  ASN    67      16.217  10.522   9.812
ATOM    985  CA  ASN    67      14.700  11.376  11.058
ATOM    986  HA  ASN    67      14.645  11.500  12.119
ATOM    987  CB  ASN    67      14.372  12.715  10.395
ATOM    988 2HB  ASN    67      14.982  13.478  10.839
ATOM    989 3HB  ASN    67      14.594  12.644   9.348
ATOM    990  CG  ASN    67      12.914  13.100  10.559
ATOM    991  OD1 ASN    67      12.375  13.078  11.666
ATOM    992  ND2 ASN    67      12.268  13.455   9.454
ATOM    993 1HD2 ASN    67      11.295  13.721   9.501
ATOM    994 2HD2 ASN    67      12.750  13.458   8.566
ATOM    995  C   ASN    67      13.678  10.324  10.639
ATOM    996  O   ASN    67      12.697  10.080  11.342
ATOM    997  N   PHE    68      13.915   9.703   9.488
ATOM    998  HN  PHE    68      14.738   9.948   8.956
ATOM    999  CA  PHE    68      13.016   8.677   8.974
ATOM   1000  HA  PHE    68      12.020   8.907   9.291
ATOM   1001  CB  PHE    68      13.049   8.660   7.444
ATOM   1002 2HB  PHE    68      14.052   8.446   7.128
ATOM   1003 3HB  PHE    68      12.392   7.885   7.099
ATOM   1004  CG  PHE    68      12.621   9.958   6.821
ATOM   1005  CD1 PHE    68      11.365  10.087   6.251
ATOM   1006  HD1 PHE    68      10.686   9.242   6.255
ATOM   1007  CE1 PHE    68      10.968  11.280   5.677
ATOM   1008  HE1 PHE    68       9.982  11.368   5.235
ATOM   1009  CZ  PHE    68      11.830  12.360   5.667
ATOM   1010  HZ  PHE    68      11.522  13.297   5.217
ATOM   1011  CE2 PHE    68      13.085  12.244   6.232
ATOM   1012  HE2 PHE    68      13.763  13.090   6.227
ATOM   1013  CD2 PHE    68      13.476  11.048   6.804
ATOM   1014  HD2 PHE    68      14.463  10.962   7.244
ATOM   1015  C   PHE    68      13.393   7.301   9.517
ATOM   1016  O   PHE    68      14.338   7.166  10.292
ATOM   1017  N   ASN    69      12.645   6.283   9.104
ATOM   1018  HN  ASN    69      11.882   6.459   8.466
ATOM   1019  CA  ASN    69      12.899   4.918   9.550
ATOM   1020  HA  ASN    69      13.900   4.862   9.923
ATOM   1021  CB  ASN    69      11.937   4.541  10.678
ATOM   1022 2HB  ASN    69      11.765   3.482  10.644
ATOM   1023 3HB  ASN    69      12.388   4.800  11.616
ATOM   1024  CG  ASN    69      10.604   5.255  10.566
ATOM   1025  OD1 ASN    69      10.098   5.807  11.543
ATOM   1026  ND2 ASN    69      10.029   5.248   9.369
ATOM   1027 1HD2 ASN    69       9.140   5.708   9.233
ATOM   1028 2HD2 ASN    69      10.481   4.783   8.595
ATOM   1029  C   ASN    69      12.755   3.933   8.394
ATOM   1030  O   ASN    69      11.835   4.042   7.583
ATOM   1031  N   ALA    70      13.670   2.972   8.325
ATOM   1032  HN  ALA    70      14.402   2.938   9.020
ATOM   1033  CA  ALA    70      13.644   1.966   7.271
ATOM   1034  HA  ALA    70      13.361   2.444   6.357
ATOM   1035  CB  ALA    70      15.027   1.360   7.085
ATOM   1036 1HB  ALA    70      15.740   2.152   6.809
ATOM   1037 2HB  ALA    70      15.350   0.887   8.025
ATOM   1038 3HB  ALA    70      14.992   0.603   6.287
ATOM   1039  C   ALA    70      12.623   0.875   7.578
ATOM   1040  O   ALA    70      12.518  -0.113   6.850
ATOM   1041  N   ASP    71      11.874   1.060   8.659
ATOM   1042  HN  ASP    71      12.009   1.892   9.216
ATOM   1043  CA  ASP    71      10.861   0.091   9.062
ATOM   1044  HA  ASP    71      11.217  -0.891   8.829
ATOM   1045  CB  ASP    71      10.616   0.175  10.569
ATOM   1046 2HB  ASP    71      11.526   0.477  11.050
ATOM   1047 3HB  ASP    71       9.854   0.907  10.754
ATOM   1048  CG  ASP    71      10.171  -1.150  11.158
ATOM   1049  OD1 ASP    71      10.845  -2.170  10.902
ATOM   1050  OD2 ASP    71       9.149  -1.166  11.875
ATOM   1051  C   ASP    71       9.555   0.325   8.309
ATOM   1052  O   ASP    71       8.524  -0.263   8.636
ATOM   1053  N   ASP    72       9.607   1.187   7.299
ATOM   1054  HN  ASP    72      10.484   1.637   7.080
ATOM   1055  CA  ASP    72       8.428   1.499   6.499
ATOM   1056  HA  ASP    72       7.668   0.777   6.716
ATOM   1057  CB  ASP    72       7.896   2.888   6.856
ATOM   1058 2HB  ASP    72       8.705   3.591   6.802
ATOM   1059 3HB  ASP    72       7.139   3.160   6.146
ATOM   1060  CG  ASP    72       7.299   2.939   8.248
ATOM   1061  OD1 ASP    72       8.061   2.794   9.227
ATOM   1062  OD2 ASP    72       6.069   3.125   8.360
ATOM   1063  C   ASP    72       8.750   1.431   5.009
ATOM   1064  O   ASP    72       7.932   0.979   4.208
ATOM   1065  N   TYR    73       9.944   1.884   4.646
ATOM   1066  HN  TYR    73      10.571   2.241   5.353
ATOM   1067  CA  TYR    73      10.372   1.879   3.252
ATOM   1068  HA  TYR    73       9.586   2.290   2.653
ATOM   1069  CB  TYR    73      11.621   2.744   3.076
ATOM   1070 2HB  TYR    73      12.371   2.401   3.762
ATOM   1071 3HB  TYR    73      11.976   2.627   2.070
ATOM   1072  CG  TYR    73      11.379   4.215   3.329
ATOM   1073  CD1 TYR    73      11.630   4.776   4.575
ATOM   1074  HD1 TYR    73      12.005   4.149   5.376
ATOM   1075  CE1 TYR    73      11.410   6.119   4.811
ATOM   1076  HE1 TYR    73      11.610   6.540   5.789
ATOM   1077  CZ  TYR    73      10.934   6.921   3.795
ATOM   1078  OH  TYR    73      10.713   8.260   4.025
ATOM   1079  HH  TYR    73      10.385   8.673   3.223
ATOM   1080  CE2 TYR    73      10.677   6.388   2.549
ATOM   1081  HE2 TYR    73      10.303   7.020   1.752
ATOM   1082  CD2 TYR    73      10.899   5.043   2.323
ATOM   1083  HD2 TYR    73      10.695   4.627   1.343
ATOM   1084  C   TYR    73      10.653   0.457   2.774
ATOM   1085  O   TYR    73      11.342  -0.311   3.446
ATOM   1086  N   ASP    74      10.115   0.114   1.609
ATOM   1087  HN  ASP    74       9.558   0.790   1.106
ATOM   1088  CA  ASP    74      10.309  -1.214   1.039
ATOM   1089  HA  ASP    74      10.430  -1.914   1.840
ATOM   1090  CB  ASP    74       9.085  -1.622   0.217
ATOM   1091 2HB  ASP    74       8.266  -0.979   0.476
ATOM   1092 3HB  ASP    74       9.315  -1.505  -0.825
ATOM   1093  CG  ASP    74       8.673  -3.059   0.466
ATOM   1094  OD1 ASP    74       9.148  -3.950  -0.269
ATOM   1095  OD2 ASP    74       7.876  -3.294   1.398
ATOM   1096  C   ASP    74      11.560  -1.254   0.167
ATOM   1097  O   ASP    74      12.308  -2.231   0.182
ATOM   1098  N   VAL    75      11.780  -0.186  -0.593
ATOM   1099  HN  VAL    75      11.128   0.584  -0.561
ATOM   1100  CA  VAL    75      12.940  -0.099  -1.472
ATOM   1101  HA  VAL    75      13.568  -0.945  -1.287
ATOM   1102  CB  VAL    75      12.524  -0.117  -2.954
ATOM   1103  HB  VAL    75      12.408  -1.136  -3.258
ATOM   1104  CG1 VAL    75      11.192   0.592  -3.144
ATOM   1105 1HG1 VAL    75      10.417   0.083  -2.550
ATOM   1106 2HG1 VAL    75      11.282   1.638  -2.811
ATOM   1107 3HG1 VAL    75      10.912   0.568  -4.209
ATOM   1108  CG2 VAL    75      13.603   0.518  -3.818
ATOM   1109 1HG2 VAL    75      13.759   1.561  -3.503
ATOM   1110 2HG2 VAL    75      14.543  -0.044  -3.704
ATOM   1111 3HG2 VAL    75      13.288   0.496  -4.873
ATOM   1112  C   VAL    75      13.744   1.167  -1.196
ATOM   1113  O   VAL    75      13.200   2.272  -1.188
ATOM   1114  N   VAL    76      15.043   0.999  -0.971
ATOM   1115  HN  VAL    76      15.430   0.066  -0.990
ATOM   1116  CA  VAL    76      15.924   2.128  -0.697
ATOM   1117  HA  VAL    76      15.379   3.032  -0.871
ATOM   1118  CB  VAL    76      16.403   2.124   0.767
ATOM   1119  HB  VAL    76      15.833   2.850   1.309
ATOM   1120  CG1 VAL    76      16.168   0.762   1.402
ATOM   1121 1HG1 VAL    76      15.093   0.526   1.377
ATOM   1122 2HG1 VAL    76      16.725  -0.005   0.842
ATOM   1123 3HG1 VAL    76      16.516   0.779   2.446
ATOM   1124  CG2 VAL    76      17.871   2.513   0.848
ATOM   1125 1HG2 VAL    76      18.474   1.793   0.273
ATOM   1126 2HG2 VAL    76      18.007   3.522   0.430
ATOM   1127 3HG2 VAL    76      18.195   2.505   1.900
ATOM   1128  C   VAL    76      17.139   2.114  -1.618
ATOM   1129  O   VAL    76      17.683   1.053  -1.928
ATOM   1130  N   ILE    77      17.560   3.297  -2.052
ATOM   1131  HN  ILE    77      17.070   4.131  -1.762
ATOM   1132  CA  ILE    77      18.712   3.421  -2.936
ATOM   1133  HA  ILE    77      19.099   2.441  -3.125
ATOM   1134  CB  ILE    77      18.322   4.057  -4.283
ATOM   1135  HB  ILE    77      17.897   5.020  -4.093
ATOM   1136  CG2 ILE    77      19.552   4.237  -5.160
ATOM   1137 1HG2 ILE    77      20.274   4.893  -4.649
ATOM   1138 2HG2 ILE    77      20.016   3.256  -5.347
ATOM   1139 3HG2 ILE    77      19.256   4.692  -6.118
ATOM   1140  CG1 ILE    77      17.275   3.197  -4.995
ATOM   1141 2HG1 ILE    77      16.372   3.212  -4.416
ATOM   1142 3HG1 ILE    77      17.087   3.622  -5.962
ATOM   1143  CD1 ILE    77      17.701   1.757  -5.180
ATOM   1144 1HD1 ILE    77      18.622   1.721  -5.783
ATOM   1145 2HD1 ILE    77      17.888   1.300  -4.196
ATOM   1146 3HD1 ILE    77      16.903   1.202  -5.696
ATOM   1147  C   ILE    77      19.813   4.256  -2.291
ATOM   1148  O   ILE    77      19.564   5.358  -1.802
ATOM   1149  N   SER    78      21.031   3.725  -2.296
ATOM   1150  HN  SER    78      21.171   2.817  -2.716
ATOM   1151  CA  SER    78      22.171   4.421  -1.710
ATOM   1152  HA  SER    78      21.805   5.207  -1.083
ATOM   1153  CB  SER    78      22.996   3.459  -0.853
ATOM   1154 2HB  SER    78      23.748   4.015  -0.327
ATOM   1155 3HB  SER    78      22.349   2.977  -0.146
ATOM   1156  OG  SER    78      23.624   2.473  -1.653
ATOM   1157  HG  SER    78      24.134   1.884  -1.093
ATOM   1158  C   SER    78      23.050   5.034  -2.796
ATOM   1159  O   SER    78      23.903   4.361  -3.375
ATOM   1160  N   LEU    79      22.835   6.317  -3.067
ATOM   1161  HN  LEU    79      22.120   6.815  -2.556
ATOM   1162  CA  LEU    79      23.606   7.024  -4.084
ATOM   1163  HA  LEU    79      23.926   6.317  -4.821
ATOM   1164  CB  LEU    79      22.738   8.081  -4.768
ATOM   1165 2HB  LEU    79      22.689   8.935  -4.120
ATOM   1166 3HB  LEU    79      23.219   8.356  -5.687
ATOM   1167  CG  LEU    79      21.305   7.662  -5.098
ATOM   1168  HG  LEU    79      21.056   6.812  -4.498
ATOM   1169  CD1 LEU    79      20.332   8.783  -4.768
ATOM   1170 1HD1 LEU    79      20.397   9.021  -3.695
ATOM   1171 2HD1 LEU    79      20.588   9.677  -5.358
ATOM   1172 3HD1 LEU    79      19.307   8.463  -5.012
ATOM   1173  CD2 LEU    79      21.189   7.265  -6.562
ATOM   1174 1HD2 LEU    79      21.467   8.120  -7.197
ATOM   1175 2HD2 LEU    79      21.865   6.420  -6.768
ATOM   1176 3HD2 LEU    79      20.152   6.967  -6.780
ATOM   1177  C   LEU    79      24.840   7.680  -3.472
ATOM   1178  O   LEU    79      25.014   8.896  -3.557
ATOM   1179  N   CYS    80      25.693   6.867  -2.859
ATOM   1180  HN  CYS    80      25.493   5.878  -2.825
ATOM   1181  CA  CYS    80      26.912   7.369  -2.234
ATOM   1182  HA  CYS    80      26.831   8.431  -2.134
ATOM   1183  CB  CYS    80      27.084   6.761  -0.841
ATOM   1184 2HB  CYS    80      27.248   5.706  -0.951
ATOM   1185 3HB  CYS    80      27.943   7.210  -0.381
ATOM   1186  SG  CYS    80      25.663   7.003   0.250
ATOM   1187  HG  CYS    80      25.909   6.441   1.430
ATOM   1188  C   CYS    80      28.132   7.055  -3.093
ATOM   1189  O   CYS    80      29.269   7.277  -2.679
ATOM   1190  N   GLY    81      27.887   6.537  -4.293
ATOM   1191  HN  GLY    81      26.933   6.377  -4.583
ATOM   1192  CA  GLY    81      28.976   6.199  -5.191
ATOM   1193 2HA  GLY    81      28.610   6.220  -6.199
ATOM   1194 3HA  GLY    81      29.755   6.929  -5.078
ATOM   1195  C   GLY    81      29.553   4.825  -4.912
ATOM   1196  O   GLY    81      28.894   3.810  -5.139
ATOM   1197  N   CYS    82      30.786   4.793  -4.420
ATOM   1198  HN  CYS    82      31.273   5.662  -4.255
ATOM   1199  CA  CYS    82      31.454   3.533  -4.112
ATOM   1200  HA  CYS    82      30.708   2.781  -3.959
ATOM   1201  CB  CYS    82      32.344   3.104  -5.280
ATOM   1202 2HB  CYS    82      32.130   3.740  -6.118
ATOM   1203 3HB  CYS    82      33.368   3.231  -4.987
ATOM   1204  SG  CYS    82      32.110   1.387  -5.796
ATOM   1205  HG  CYS    82      32.925   1.114  -6.811
ATOM   1206  C   CYS    82      32.286   3.655  -2.840
ATOM   1207  O   CYS    82      32.884   4.697  -2.575
ATOM   1208  N   GLY    83      32.318   2.583  -2.054
ATOM   1209  HN  GLY    83      31.807   1.753  -2.320
ATOM   1210  CA  GLY    83      33.078   2.591  -0.818
ATOM   1211 2HA  GLY    83      33.449   1.601  -0.635
ATOM   1212 3HA  GLY    83      33.904   3.267  -0.926
ATOM   1213  C   GLY    83      32.245   3.026   0.371
ATOM   1214  O   GLY    83      32.420   2.518   1.479
ATOM   1215  N   VAL    84      31.337   3.969   0.143
ATOM   1216  HN  VAL    84      31.242   4.346  -0.789
ATOM   1217  CA  VAL    84      30.474   4.473   1.205
ATOM   1218  HA  VAL    84      31.027   4.466   2.121
ATOM   1219  CB  VAL    84      30.021   5.917   0.923
ATOM   1220  HB  VAL    84      29.638   5.959  -0.075
ATOM   1221  CG1 VAL    84      28.909   6.324   1.878
ATOM   1222 1HG1 VAL    84      28.049   5.648   1.749
ATOM   1223 2HG1 VAL    84      29.274   6.260   2.915
ATOM   1224 3HG1 VAL    84      28.599   7.358   1.661
ATOM   1225  CG2 VAL    84      31.198   6.875   1.023
ATOM   1226 1HG2 VAL    84      31.626   6.826   2.036
ATOM   1227 2HG2 VAL    84      31.966   6.591   0.287
ATOM   1228 3HG2 VAL    84      30.855   7.901   0.818
ATOM   1229  C   VAL    84      29.244   3.590   1.379
ATOM   1230  O   VAL    84      28.546   3.284   0.413
ATOM   1231  N   ASN    85      28.983   3.184   2.617
ATOM   1232  HN  ASN    85      29.594   3.471   3.368
ATOM   1233  CA  ASN    85      27.836   2.335   2.918
ATOM   1234  HA  ASN    85      27.240   2.243   2.034
ATOM   1235  CB  ASN    85      28.303   0.940   3.337
ATOM   1236 2HB  ASN    85      29.247   1.029   3.839
ATOM   1237 3HB  ASN    85      27.579   0.522   4.009
ATOM   1238  CG  ASN    85      28.467   0.005   2.154
ATOM   1239  OD1 ASN    85      29.507  -0.634   1.993
ATOM   1240  ND2 ASN    85      27.439  -0.078   1.319
ATOM   1241 1HD2 ASN    85      27.491  -0.684   0.513
ATOM   1242 2HD2 ASN    85      26.605   0.465   1.490
ATOM   1243  C   ASN    85      26.979   2.949   4.020
ATOM   1244  O   ASN    85      27.357   3.950   4.631
ATOM   1245  N   LEU    86      25.823   2.344   4.270
ATOM   1246  HN  LEU    86      25.569   1.527   3.733
ATOM   1247  CA  LEU    86      24.912   2.830   5.300
ATOM   1248  HA  LEU    86      25.280   3.766   5.666
ATOM   1249  CB  LEU    86      23.517   3.051   4.712
ATOM   1250 2HB  LEU    86      23.072   2.088   4.552
ATOM   1251 3HB  LEU    86      22.939   3.597   5.433
ATOM   1252  CG  LEU    86      23.460   3.818   3.390
ATOM   1253  HG  LEU    86      24.262   4.527   3.377
ATOM   1254  CD1 LEU    86      23.639   2.870   2.215
ATOM   1255 1HD1 LEU    86      24.615   2.367   2.295
ATOM   1256 2HD1 LEU    86      22.836   2.117   2.226
ATOM   1257 3HD1 LEU    86      23.595   3.440   1.274
ATOM   1258  CD2 LEU    86      22.147   4.577   3.271
ATOM   1259 1HD2 LEU    86      21.307   3.866   3.309
ATOM   1260 2HD2 LEU    86      22.060   5.292   4.104
ATOM   1261 3HD2 LEU    86      22.124   5.122   2.315
ATOM   1262  C   LEU    86      24.835   1.850   6.466
ATOM   1263  O   LEU    86      24.366   0.719   6.329
ATOM   1264  N   PRO    87      25.303   2.291   7.643
ATOM   1265  CD  PRO    87      25.876   3.627   7.879
ATOM   1266 2HD  PRO    87      25.229   4.395   7.500
ATOM   1267 3HD  PRO    87      26.843   3.717   7.422
ATOM   1268  CG  PRO    87      25.980   3.701   9.378
ATOM   1269 2HG  PRO    87      25.097   4.148   9.791
ATOM   1270 3HG  PRO    87      26.839   4.276   9.664
ATOM   1271  CB  PRO    87      26.118   2.295   9.850
ATOM   1272 2HB  PRO    87      25.728   2.190  10.844
ATOM   1273 3HB  PRO    87      27.147   1.990   9.835
ATOM   1274  CA  PRO    87      25.296   1.469   8.857
ATOM   1275  HA  PRO    87      25.777   0.531   8.670
ATOM   1276  C   PRO    87      23.887   1.240   9.393
ATOM   1277  O   PRO    87      23.610   0.254  10.076
ATOM   1278  N   PRO    88      22.974   2.170   9.077
ATOM   1279  CD  PRO    88      23.234   3.372   8.267
ATOM   1280 2HD  PRO    88      23.739   3.118   7.355
ATOM   1281 3HD  PRO    88      23.820   4.084   8.815
ATOM   1282  CG  PRO    88      21.858   3.909   7.988
ATOM   1283 2HG  PRO    88      21.488   3.521   7.059
ATOM   1284 3HG  PRO    88      21.878   4.981   7.945
ATOM   1285  CB  PRO    88      21.002   3.452   9.118
ATOM   1286 2HB  PRO    88      19.981   3.354   8.804
ATOM   1287 3HB  PRO    88      21.059   4.141   9.938
ATOM   1288  CA  PRO    88      21.578   2.090   9.516
ATOM   1289  HA  PRO    88      21.532   1.967  10.578
ATOM   1290  C   PRO    88      20.815   0.966   8.823
ATOM   1291  O   PRO    88      21.415   0.082   8.212
ATOM   1292  N   GLU    89      19.490   1.007   8.922
ATOM   1293  HN  GLU    89      19.057   1.760   9.438
ATOM   1294  CA  GLU    89      18.647  -0.009   8.304
ATOM   1295  HA  GLU    89      19.180  -0.937   8.301
ATOM   1296  CB  GLU    89      17.357  -0.191   9.107
ATOM   1297 2HB  GLU    89      16.962   0.779   9.339
ATOM   1298 3HB  GLU    89      16.653  -0.728   8.501
ATOM   1299  CG  GLU    89      17.552  -0.953  10.407
ATOM   1300 2HG  GLU    89      16.893  -1.800  10.411
ATOM   1301 3HG  GLU    89      18.569  -1.291  10.458
ATOM   1302  CD  GLU    89      17.260  -0.104  11.629
ATOM   1303  OE1 GLU    89      16.084   0.268  11.826
ATOM   1304  OE2 GLU    89      18.207   0.188  12.389
ATOM   1305  C   GLU    89      18.313   0.364   6.862
ATOM   1306  O   GLU    89      17.408  -0.209   6.256
ATOM   1307  N   TRP    90      19.051   1.327   6.321
ATOM   1308  HN  TRP    90      19.780   1.758   6.871
ATOM   1309  CA  TRP    90      18.833   1.777   4.951
ATOM   1310  HA  TRP    90      17.782   1.765   4.752
ATOM   1311  CB  TRP    90      19.345   3.208   4.775
ATOM   1312 2HB  TRP    90      20.386   3.232   5.036
ATOM   1313 3HB  TRP    90      19.228   3.487   3.746
ATOM   1314  CG  TRP    90      18.618   4.207   5.625
ATOM   1315  CD1 TRP    90      19.176   5.118   6.476
ATOM   1316  HD1 TRP    90      20.239   5.238   6.649
ATOM   1317  NE1 TRP    90      18.190   5.860   7.081
ATOM   1318  HE1 TRP    90      18.341   6.599   7.753
ATOM   1319  CE2 TRP    90      16.970   5.436   6.625
ATOM   1320  CZ2 TRP    90      15.689   5.878   6.941
ATOM   1321  HZ2 TRP    90      15.532   6.681   7.652
ATOM   1322  CH2 TRP    90      14.634   5.263   6.323
ATOM   1323  HH2 TRP    90      13.624   5.586   6.548
ATOM   1324  CZ3 TRP    90      14.834   4.224   5.405
ATOM   1325  HZ3 TRP    90      13.976   3.757   4.934
ATOM   1326  CE3 TRP    90      16.105   3.784   5.089
ATOM   1327  HE3 TRP    90      16.249   2.980   4.376
ATOM   1328  CD2 TRP    90      17.201   4.394   5.705
ATOM   1329  C   TRP    90      19.525   0.851   3.957
ATOM   1330  O   TRP    90      19.323   0.960   2.747
ATOM   1331  N   VAL    91      20.342  -0.061   4.474
ATOM   1332  HN  VAL    91      20.466  -0.099   5.476
ATOM   1333  CA  VAL    91      21.063  -1.007   3.632
ATOM   1334  HA  VAL    91      20.860  -0.771   2.608
ATOM   1335  CB  VAL    91      22.584  -0.916   3.860
ATOM   1336  HB  VAL    91      22.855   0.118   3.908
ATOM   1337  CG1 VAL    91      22.966  -1.572   5.178
ATOM   1338 1HG1 VAL    91      22.449  -1.061   6.005
ATOM   1339 2HG1 VAL    91      22.670  -2.632   5.159
ATOM   1340 3HG1 VAL    91      24.055  -1.497   5.323
ATOM   1341  CG2 VAL    91      23.335  -1.554   2.701
ATOM   1342 1HG2 VAL    91      23.049  -2.614   2.617
ATOM   1343 2HG2 VAL    91      23.081  -1.030   1.766
ATOM   1344 3HG2 VAL    91      24.419  -1.480   2.881
ATOM   1345  C   VAL    91      20.606  -2.437   3.895
ATOM   1346  O   VAL    91      21.280  -3.397   3.520
ATOM   1347  N   THR    92      19.453  -2.574   4.543
ATOM   1348  HN  THR    92      18.945  -1.748   4.825
ATOM   1349  CA  THR    92      18.904  -3.887   4.857
ATOM   1350  HA  THR    92      19.308  -4.596   4.165
ATOM   1351  CB  THR    92      19.284  -4.328   6.283
ATOM   1352  HB  THR    92      19.009  -5.354   6.411
ATOM   1353  CG2 THR    92      20.782  -4.191   6.511
ATOM   1354 1HG2 THR    92      21.322  -4.822   5.789
ATOM   1355 2HG2 THR    92      21.079  -3.140   6.374
ATOM   1356 3HG2 THR    92      21.028  -4.512   7.535
ATOM   1357  OG1 THR    92      18.577  -3.538   7.246
ATOM   1358 1HG  THR    92      18.820  -3.820   8.131
ATOM   1359  C   THR    92      17.385  -3.895   4.723
ATOM   1360  O   THR    92      16.674  -4.282   5.650
ATOM   1361  N   GLN    93      16.896  -3.465   3.565
ATOM   1362  HN  GLN    93      17.534  -3.160   2.843
ATOM   1363  CA  GLN    93      15.461  -3.423   3.311
ATOM   1364  HA  GLN    93      14.948  -3.654   4.221
ATOM   1365  CB  GLN    93      15.042  -2.023   2.858
ATOM   1366 2HB  GLN    93      15.755  -1.672   2.137
ATOM   1367 3HB  GLN    93      14.074  -2.090   2.400
ATOM   1368  CG  GLN    93      14.968  -1.013   3.992
ATOM   1369 2HG  GLN    93      15.965  -0.796   4.324
ATOM   1370 3HG  GLN    93      14.510  -0.115   3.623
ATOM   1371  CD  GLN    93      14.162  -1.520   5.172
ATOM   1372  OE1 GLN    93      12.994  -1.884   5.030
ATOM   1373  NE2 GLN    93      14.782  -1.545   6.346
ATOM   1374 1HE2 GLN    93      14.295  -1.873   7.168
ATOM   1375 2HE2 GLN    93      15.741  -1.236   6.417
ATOM   1376  C   GLN    93      15.064  -4.451   2.257
ATOM   1377  O   GLN    93      15.896  -5.229   1.791
ATOM   1378  N   GLU    94      13.788  -4.448   1.885
ATOM   1379  HN  GLU    94      13.154  -3.783   2.304
ATOM   1380  CA  GLU    94      13.281  -5.382   0.886
ATOM   1381  HA  GLU    94      13.415  -6.378   1.253
ATOM   1382  CB  GLU    94      11.788  -5.148   0.647
ATOM   1383 2HB  GLU    94      11.439  -4.427   1.361
ATOM   1384 3HB  GLU    94      11.660  -4.760  -0.345
ATOM   1385  CG  GLU    94      10.946  -6.405   0.783
ATOM   1386 2HG  GLU    94      11.390  -7.037   1.528
ATOM   1387 3HG  GLU    94       9.958  -6.125   1.095
ATOM   1388  CD  GLU    94      10.844  -7.182  -0.516
ATOM   1389  OE1 GLU    94      11.896  -7.434  -1.140
ATOM   1390  OE2 GLU    94       9.713  -7.538  -0.908
ATOM   1391  C   GLU    94      14.046  -5.242  -0.427
ATOM   1392  O   GLU    94      14.247  -6.219  -1.148
ATOM   1393  N   ILE    95      14.469  -4.019  -0.731
ATOM   1394  HN  ILE    95      14.271  -3.258  -0.097
ATOM   1395  CA  ILE    95      15.211  -3.750  -1.956
ATOM   1396  HA  ILE    95      15.701  -4.652  -2.258
ATOM   1397  CB  ILE    95      14.275  -3.302  -3.094
ATOM   1398  HB  ILE    95      13.672  -2.493  -2.739
ATOM   1399  CG2 ILE    95      15.087  -2.813  -4.285
ATOM   1400 1HG2 ILE    95      15.712  -1.961  -3.978
ATOM   1401 2HG2 ILE    95      15.731  -3.628  -4.650
ATOM   1402 3HG2 ILE    95      14.405  -2.497  -5.089
ATOM   1403  CG1 ILE    95      13.352  -4.450  -3.507
ATOM   1404 2HG1 ILE    95      13.955  -5.312  -3.718
ATOM   1405 3HG1 ILE    95      12.693  -4.667  -2.689
ATOM   1406  CD1 ILE    95      12.514  -4.142  -4.728
ATOM   1407 1HD1 ILE    95      11.879  -3.266  -4.526
ATOM   1408 2HD1 ILE    95      13.175  -3.927  -5.582
ATOM   1409 3HD1 ILE    95      11.878  -5.009  -4.965
ATOM   1410  C   ILE    95      16.272  -2.678  -1.732
ATOM   1411  O   ILE    95      15.983  -1.605  -1.202
ATOM   1412  N   PHE    96      17.501  -2.974  -2.142
ATOM   1413  HN  PHE    96      17.674  -3.872  -2.571
ATOM   1414  CA  PHE    96      18.605  -2.035  -1.987
ATOM   1415  HA  PHE    96      18.201  -1.053  -1.858
ATOM   1416  CB  PHE    96      19.432  -2.387  -0.749
ATOM   1417 2HB  PHE    96      18.791  -2.348   0.110
ATOM   1418 3HB  PHE    96      19.812  -3.384  -0.866
ATOM   1419  CG  PHE    96      20.592  -1.460  -0.519
ATOM   1420  CD1 PHE    96      20.408  -0.244   0.117
ATOM   1421  HD1 PHE    96      19.417   0.041   0.451
ATOM   1422  CE1 PHE    96      21.472   0.611   0.331
ATOM   1423  HE1 PHE    96      21.314   1.559   0.832
ATOM   1424  CZ  PHE    96      22.737   0.255  -0.094
ATOM   1425  HZ  PHE    96      23.573   0.925   0.071
ATOM   1426  CE2 PHE    96      22.935  -0.955  -0.729
ATOM   1427  HE2 PHE    96      23.927  -1.237  -1.062
ATOM   1428  CD2 PHE    96      21.866  -1.806  -0.940
ATOM   1429  HD2 PHE    96      22.026  -2.754  -1.440
ATOM   1430  C   PHE    96      19.497  -2.035  -3.225
ATOM   1431  O   PHE    96      19.576  -3.031  -3.945
ATOM   1432  N   GLU    97      20.165  -0.912  -3.467
ATOM   1433  HN  GLU    97      20.057  -0.129  -2.838
ATOM   1434  CA  GLU    97      21.050  -0.782  -4.618
ATOM   1435  HA  GLU    97      21.697  -1.634  -4.647
ATOM   1436  CB  GLU    97      20.236  -0.745  -5.913
ATOM   1437 2HB  GLU    97      19.240  -0.421  -5.679
ATOM   1438 3HB  GLU    97      20.693  -0.041  -6.581
ATOM   1439  CG  GLU    97      20.150  -2.089  -6.617
ATOM   1440 2HG  GLU    97      21.015  -2.669  -6.357
ATOM   1441 3HG  GLU    97      19.266  -2.596  -6.282
ATOM   1442  CD  GLU    97      20.091  -1.954  -8.127
ATOM   1443  OE1 GLU    97      21.161  -1.791  -8.750
ATOM   1444  OE2 GLU    97      18.976  -2.011  -8.685
ATOM   1445  C   GLU    97      21.907   0.475  -4.507
ATOM   1446  O   GLU    97      21.387   1.586  -4.393
ATOM   1447  N   ASP    98      23.222   0.293  -4.541
ATOM   1448  HN  ASP    98      23.587  -0.644  -4.636
ATOM   1449  CA  ASP    98      24.153   1.412  -4.445
ATOM   1450  HA  ASP    98      23.700   2.182  -3.856
ATOM   1451  CB  ASP    98      25.445   0.970  -3.757
ATOM   1452 2HB  ASP    98      26.142   1.786  -3.777
ATOM   1453 3HB  ASP    98      25.223   0.714  -2.739
ATOM   1454  CG  ASP    98      26.081  -0.229  -4.432
ATOM   1455  OD1 ASP    98      27.141  -0.058  -5.071
ATOM   1456  OD2 ASP    98      25.519  -1.338  -4.322
ATOM   1457  C   ASP    98      24.465   1.978  -5.827
ATOM   1458  O   ASP    98      25.457   1.603  -6.452
ATOM   1459  N   TRP    99      23.613   2.882  -6.296
ATOM   1460  HN  TRP    99      22.818   3.148  -5.733
ATOM   1461  CA  TRP    99      23.798   3.500  -7.605
ATOM   1462  HA  TRP    99      23.919   2.725  -8.333
ATOM   1463  CB  TRP    99      22.569   4.329  -7.978
ATOM   1464 2HB  TRP    99      22.448   5.105  -7.247
ATOM   1465 3HB  TRP    99      22.735   4.769  -8.943
ATOM   1466  CG  TRP    99      21.304   3.526  -8.033
ATOM   1467  CD1 TRP    99      21.180   2.179  -7.842
ATOM   1468  HD1 TRP    99      21.999   1.504  -7.620
ATOM   1469  NE1 TRP    99      19.864   1.805  -7.972
ATOM   1470  HE1 TRP    99      19.509   0.864  -7.878
ATOM   1471  CE2 TRP    99      19.112   2.916  -8.250
ATOM   1472  CZ2 TRP    99      17.742   3.043  -8.464
ATOM   1473  HZ2 TRP    99      17.086   2.181  -8.424
ATOM   1474  CH2 TRP    99      17.253   4.294  -8.726
ATOM   1475  HH2 TRP    99      16.191   4.425  -8.896
ATOM   1476  CZ3 TRP    99      18.100   5.409  -8.778
ATOM   1477  HZ3 TRP    99      17.681   6.386  -8.988
ATOM   1478  CE3 TRP    99      19.460   5.285  -8.566
ATOM   1479  HE3 TRP    99      20.106   6.154  -8.608
ATOM   1480  CD2 TRP    99      19.987   4.019  -8.297
ATOM   1481  C   TRP    99      25.044   4.379  -7.620
ATOM   1482  O   TRP    99      25.052   5.468  -7.047
ATOM   1483  N   GLN   100      26.093   3.899  -8.279
ATOM   1484  HN  GLN   100      26.022   2.998  -8.729
ATOM   1485  CA  GLN   100      27.344   4.643  -8.368
ATOM   1486  HA  GLN   100      27.558   5.064  -7.408
ATOM   1487  CB  GLN   100      28.491   3.709  -8.756
ATOM   1488 2HB  GLN   100      28.462   2.851  -8.113
ATOM   1489 3HB  GLN   100      28.346   3.398  -9.773
ATOM   1490  CG  GLN   100      29.865   4.351  -8.640
ATOM   1491 2HG  GLN   100      29.876   5.248  -9.228
ATOM   1492 3HG  GLN   100      30.044   4.596  -7.611
ATOM   1493  CD  GLN   100      30.977   3.441  -9.123
ATOM   1494  OE1 GLN   100      31.870   3.868  -9.855
ATOM   1495  NE2 GLN   100      30.929   2.178  -8.714
ATOM   1496 1HE2 GLN   100      31.644   1.526  -9.004
ATOM   1497 2HE2 GLN   100      30.178   1.870  -8.113
ATOM   1498  C   GLN   100      27.232   5.778  -9.380
ATOM   1499  O   GLN   100      27.623   5.632 -10.539
ATOM   1500  N   LEU   101      26.695   6.909  -8.936
ATOM   1501  HN  LEU   101      26.393   6.966  -7.974
ATOM   1502  CA  LEU   101      26.531   8.071  -9.804
ATOM   1503  HA  LEU   101      26.568   7.743 -10.822
ATOM   1504  CB  LEU   101      25.174   8.731  -9.554
ATOM   1505 2HB  LEU   101      24.849   8.451  -8.570
ATOM   1506 3HB  LEU   101      25.314   9.794  -9.595
ATOM   1507  CG  LEU   101      24.059   8.367 -10.536
ATOM   1508  HG  LEU   101      23.190   8.941 -10.288
ATOM   1509  CD1 LEU   101      24.470   8.710 -11.959
ATOM   1510 1HD1 LEU   101      24.673   9.790 -12.032
ATOM   1511 2HD1 LEU   101      25.378   8.147 -12.224
ATOM   1512 3HD1 LEU   101      23.657   8.442 -12.651
ATOM   1513  CD2 LEU   101      23.708   6.891 -10.421
ATOM   1514 1HD2 LEU   101      24.597   6.283 -10.649
ATOM   1515 2HD2 LEU   101      23.367   6.673  -9.397
ATOM   1516 3HD2 LEU   101      22.905   6.648 -11.134
ATOM   1517  C   LEU   101      27.650   9.082  -9.579
ATOM   1518  O   LEU   101      28.301   9.078  -8.534
ATOM   1519  N   GLU   102      27.867   9.947 -10.565
ATOM   1520  HN  GLU   102      27.298   9.899 -11.398
ATOM   1521  CA  GLU   102      28.908  10.964 -10.472
ATOM   1522  HA  GLU   102      29.770  10.528 -10.011
ATOM   1523  CB  GLU   102      29.298  11.455 -11.868
ATOM   1524 2HB  GLU   102      28.420  11.456 -12.485
ATOM   1525 3HB  GLU   102      29.676  12.456 -11.783
ATOM   1526  CG  GLU   102      30.357  10.597 -12.540
ATOM   1527 2HG  GLU   102      31.278  11.146 -12.567
ATOM   1528 3HG  GLU   102      30.491   9.702 -11.963
ATOM   1529  CD  GLU   102      29.981  10.210 -13.957
ATOM   1530  OE1 GLU   102      30.161  11.046 -14.868
ATOM   1531  OE2 GLU   102      29.506   9.072 -14.156
ATOM   1532  C   GLU   102      28.443  12.141  -9.619
ATOM   1533  O   GLU   102      28.250  13.248 -10.122
ATOM   1534  N   ASP   103      28.266  11.893  -8.326
ATOM   1535  HN  ASP   103      28.441  10.963  -7.974
ATOM   1536  CA  ASP   103      27.825  12.931  -7.402
ATOM   1537  HA  ASP   103      26.779  12.801  -7.219
ATOM   1538  CB  ASP   103      28.570  12.810  -6.072
ATOM   1539 2HB  ASP   103      28.240  13.595  -5.419
ATOM   1540 3HB  ASP   103      28.338  11.859  -5.633
ATOM   1541  CG  ASP   103      30.073  12.916  -6.239
ATOM   1542  OD1 ASP   103      30.656  13.908  -5.753
ATOM   1543  OD2 ASP   103      30.666  12.006  -6.854
ATOM   1544  C   ASP   103      28.044  14.318  -7.998
ATOM   1545  O   ASP   103      29.092  14.939  -7.818
ATOM   1546  N   PRO   104      27.033  14.817  -8.725
ATOM   1547  CD  PRO   104      25.755  14.132  -8.981
ATOM   1548 2HD  PRO   104      25.324  13.769  -8.068
ATOM   1549 3HD  PRO   104      25.887  13.314  -9.663
ATOM   1550  CG  PRO   104      24.899  15.208  -9.590
ATOM   1551 2HG  PRO   104      24.331  15.708  -8.829
ATOM   1552 3HG  PRO   104      24.231  14.787 -10.316
ATOM   1553  CB  PRO   104      25.840  16.160 -10.243
ATOM   1554 2HB  PRO   104      25.419  17.147 -10.274
ATOM   1555 3HB  PRO   104      26.072  15.839 -11.240
ATOM   1556  CA  PRO   104      27.092  16.135  -9.363
ATOM   1557  HA  PRO   104      27.970  16.212  -9.969
ATOM   1558  C   PRO   104      27.052  17.273  -8.348
ATOM   1559  O   PRO   104      26.077  18.020  -8.277
ATOM   1560  N   ASP   105      28.117  17.397  -7.564
ATOM   1561  HN  ASP   105      28.885  16.750  -7.670
ATOM   1562  CA  ASP   105      28.204  18.445  -6.553
ATOM   1563  HA  ASP   105      27.228  18.860  -6.408
ATOM   1564  CB  ASP   105      28.687  17.862  -5.224
ATOM   1565 2HB  ASP   105      27.862  17.372  -4.743
ATOM   1566 3HB  ASP   105      29.461  17.146  -5.423
ATOM   1567  CG  ASP   105      29.234  18.924  -4.291
ATOM   1568  OD1 ASP   105      28.585  19.982  -4.149
ATOM   1569  OD2 ASP   105      30.312  18.697  -3.702
ATOM   1570  C   ASP   105      29.143  19.559  -7.005
ATOM   1571  O   ASP   105      30.364  19.428  -6.921
ATOM   1572  N   GLY   106      28.565  20.656  -7.484
ATOM   1573  HN  GLY   106      27.557  20.710  -7.529
ATOM   1574  CA  GLY   106      29.365  21.776  -7.943
ATOM   1575 2HA  GLY   106      28.722  22.623  -8.085
ATOM   1576 3HA  GLY   106      30.098  22.005  -7.194
ATOM   1577  C   GLY   106      30.079  21.483  -9.248
ATOM   1578  O   GLY   106      31.229  21.878  -9.435
ATOM   1579  N   GLN   107      29.395  20.788 -10.151
ATOM   1580  HN  GLN   107      28.453  20.494  -9.937
ATOM   1581  CA  GLN   107      29.973  20.440 -11.444
ATOM   1582  HA  GLN   107      31.002  20.733 -11.446
ATOM   1583  CB  GLN   107      29.898  18.929 -11.671
ATOM   1584 2HB  GLN   107      28.937  18.696 -12.086
ATOM   1585 3HB  GLN   107      30.665  18.652 -12.368
ATOM   1586  CG  GLN   107      30.084  18.114 -10.402
ATOM   1587 2HG  GLN   107      29.376  18.452  -9.670
ATOM   1588 3HG  GLN   107      29.900  17.081 -10.627
ATOM   1589  CD  GLN   107      31.479  18.244  -9.824
ATOM   1590  OE1 GLN   107      32.072  19.323  -9.840
ATOM   1591  NE2 GLN   107      32.012  17.142  -9.308
ATOM   1592 1HE2 GLN   107      32.939  17.169  -8.908
ATOM   1593 2HE2 GLN   107      31.490  16.277  -9.315
ATOM   1594  C   GLN   107      29.258  21.172 -12.575
ATOM   1595  O   GLN   107      28.433  22.053 -12.333
ATOM   1596  N   SER   108      29.580  20.802 -13.810
ATOM   1597  HN  SER   108      30.263  20.070 -13.942
ATOM   1598  CA  SER   108      28.972  21.427 -14.979
ATOM   1599  HA  SER   108      28.533  22.356 -14.679
ATOM   1600  CB  SER   108      30.033  21.711 -16.043
ATOM   1601 2HB  SER   108      31.004  21.682 -15.587
ATOM   1602 3HB  SER   108      29.974  20.959 -16.806
ATOM   1603  OG  SER   108      29.837  22.985 -16.632
ATOM   1604  HG  SER   108      30.514  23.139 -17.295
ATOM   1605  C   SER   108      27.877  20.538 -15.561
ATOM   1606  O   SER   108      27.746  19.371 -15.191
ATOM   1607  N   LEU   109      27.093  21.099 -16.475
ATOM   1608  HN  LEU   109      27.252  22.062 -16.736
ATOM   1609  CA  LEU   109      26.008  20.359 -17.111
ATOM   1610  HA  LEU   109      25.255  20.162 -16.377
ATOM   1611  CB  LEU   109      25.387  21.190 -18.235
ATOM   1612 2HB  LEU   109      26.181  21.519 -18.877
ATOM   1613 3HB  LEU   109      24.722  20.553 -18.786
ATOM   1614  CG  LEU   109      24.597  22.424 -17.799
ATOM   1615  HG  LEU   109      25.279  23.126 -17.367
ATOM   1616  CD1 LEU   109      23.928  23.080 -18.997
ATOM   1617 1HD1 LEU   109      24.696  23.386 -19.724
ATOM   1618 2HD1 LEU   109      23.239  22.364 -19.470
ATOM   1619 3HD1 LEU   109      23.365  23.965 -18.664
ATOM   1620  CD2 LEU   109      23.562  22.051 -16.747
ATOM   1621 1HD2 LEU   109      22.864  21.309 -17.166
ATOM   1622 2HD2 LEU   109      24.069  21.623 -15.869
ATOM   1623 3HD2 LEU   109      23.004  22.951 -16.446
ATOM   1624  C   LEU   109      26.508  19.028 -17.664
ATOM   1625  O   LEU   109      25.825  18.009 -17.565
ATOM   1626  N   GLU   110      27.704  19.045 -18.243
ATOM   1627  HN  GLU   110      28.215  19.915 -18.292
ATOM   1628  CA  GLU   110      28.296  17.839 -18.809
ATOM   1629  HA  GLU   110      27.727  17.552 -19.668
ATOM   1630  CB  GLU   110      29.737  18.108 -19.248
ATOM   1631 2HB  GLU   110      30.263  18.559 -18.428
ATOM   1632 3HB  GLU   110      30.197  17.171 -19.495
ATOM   1633  CG  GLU   110      29.845  19.028 -20.452
ATOM   1634 2HG  GLU   110      29.177  19.856 -20.312
ATOM   1635 3HG  GLU   110      30.853  19.389 -20.519
ATOM   1636  CD  GLU   110      29.491  18.333 -21.752
ATOM   1637  OE1 GLU   110      30.421  17.957 -22.496
ATOM   1638  OE2 GLU   110      28.284  18.164 -22.026
ATOM   1639  C   GLU   110      28.265  16.693 -17.802
ATOM   1640  O   GLU   110      28.188  15.523 -18.178
ATOM   1641  N   VAL   111      28.325  17.038 -16.520
ATOM   1642  HN  VAL   111      28.387  18.016 -16.275
ATOM   1643  CA  VAL   111      28.303  16.039 -15.458
ATOM   1644  HA  VAL   111      28.681  15.119 -15.852
ATOM   1645  CB  VAL   111      29.191  16.462 -14.272
ATOM   1646  HB  VAL   111      28.706  17.266 -13.759
ATOM   1647  CG1 VAL   111      29.364  15.308 -13.296
ATOM   1648 1HG1 VAL   111      28.379  15.001 -12.913
ATOM   1649 2HG1 VAL   111      29.838  14.459 -13.812
ATOM   1650 3HG1 VAL   111      30.000  15.629 -12.457
ATOM   1651  CG2 VAL   111      30.541  16.957 -14.768
ATOM   1652 1HG2 VAL   111      31.046  16.151 -15.323
ATOM   1653 2HG2 VAL   111      30.393  17.823 -15.431
ATOM   1654 3HG2 VAL   111      31.161  17.254 -13.908
ATOM   1655  C   VAL   111      26.884  15.802 -14.956
ATOM   1656  O   VAL   111      26.429  14.661 -14.862
ATOM   1657  N   PHE   112      26.186  16.886 -14.634
ATOM   1658  HN  PHE   112      26.615  17.795 -14.733
ATOM   1659  CA  PHE   112      24.817  16.797 -14.141
ATOM   1660  HA  PHE   112      24.830  16.319 -13.184
ATOM   1661  CB  PHE   112      24.219  18.195 -13.978
ATOM   1662 2HB  PHE   112      24.667  18.843 -14.707
ATOM   1663 3HB  PHE   112      23.162  18.135 -14.154
ATOM   1664  CG  PHE   112      24.441  18.788 -12.615
ATOM   1665  CD1 PHE   112      23.464  18.695 -11.637
ATOM   1666  HD1 PHE   112      22.531  18.190 -11.858
ATOM   1667  CE1 PHE   112      23.666  19.239 -10.382
ATOM   1668  HE1 PHE   112      22.894  19.159  -9.625
ATOM   1669  CZ  PHE   112      24.853  19.884 -10.094
ATOM   1670  HZ  PHE   112      25.013  20.313  -9.111
ATOM   1671  CE2 PHE   112      25.835  19.982 -11.060
ATOM   1672  HE2 PHE   112      26.768  20.486 -10.836
ATOM   1673  CD2 PHE   112      25.627  19.437 -12.313
ATOM   1674  HD2 PHE   112      26.401  19.518 -13.068
ATOM   1675  C   PHE   112      23.952  15.968 -15.086
ATOM   1676  O   PHE   112      23.136  15.157 -14.647
ATOM   1677  N   ARG   113      24.136  16.179 -16.385
ATOM   1678  HN  ARG   113      24.822  16.858 -16.682
ATOM   1679  CA  ARG   113      23.371  15.453 -17.392
ATOM   1680  HA  ARG   113      22.329  15.596 -17.197
ATOM   1681  CB  ARG   113      23.684  15.994 -18.788
ATOM   1682 2HB  ARG   113      24.639  16.483 -18.756
ATOM   1683 3HB  ARG   113      23.728  15.167 -19.470
ATOM   1684  CG  ARG   113      22.653  16.986 -19.302
ATOM   1685 2HG  ARG   113      21.839  16.445 -19.745
ATOM   1686 3HG  ARG   113      22.289  17.569 -18.478
ATOM   1687  CD  ARG   113      23.250  17.921 -20.343
ATOM   1688 2HD  ARG   113      23.171  18.930 -19.988
ATOM   1689 3HD  ARG   113      24.284  17.671 -20.481
ATOM   1690  NE  ARG   113      22.565  17.818 -21.628
ATOM   1691  HE  ARG   113      21.880  18.523 -21.862
ATOM   1692  CZ  ARG   113      22.793  16.848 -22.507
ATOM   1693  NH1 ARG   113      23.684  15.903 -22.240
ATOM   1694 1HH1 ARG   113      24.191  15.919 -21.367
ATOM   1695 2HH1 ARG   113      23.855  15.167 -22.910
ATOM   1696  NH2 ARG   113      22.129  16.822 -23.656
ATOM   1697 1HH2 ARG   113      21.450  17.540 -23.863
ATOM   1698 2HH2 ARG   113      22.303  16.084 -24.323
ATOM   1699  C   ARG   113      23.676  13.959 -17.334
ATOM   1700  O   ARG   113      22.768  13.127 -17.353
ATOM   1701  N   THR   114      24.961  13.624 -17.264
ATOM   1702  HN  THR   114      25.660  14.353 -17.251
ATOM   1703  CA  THR   114      25.386  12.232 -17.205
ATOM   1704  HA  THR   114      25.084  11.748 -18.111
ATOM   1705  CB  THR   114      26.917  12.116 -17.079
ATOM   1706  HB  THR   114      27.237  12.687 -16.233
ATOM   1707  CG2 THR   114      27.336  10.668 -16.878
ATOM   1708 1HG2 THR   114      26.874  10.277 -15.958
ATOM   1709 2HG2 THR   114      27.005  10.067 -17.739
ATOM   1710 3HG2 THR   114      28.432  10.612 -16.791
ATOM   1711  OG1 THR   114      27.546  12.641 -18.253
ATOM   1712 1HG  THR   114      28.499  12.565 -18.167
ATOM   1713  C   THR   114      24.735  11.507 -16.033
ATOM   1714  O   THR   114      24.441  10.314 -16.113
ATOM   1715  N   VAL   115      24.511  12.235 -14.944
ATOM   1716  HN  VAL   115      24.776  13.210 -14.940
ATOM   1717  CA  VAL   115      23.892  11.662 -13.754
ATOM   1718  HA  VAL   115      24.203  10.642 -13.669
ATOM   1719  CB  VAL   115      24.327  12.410 -12.480
ATOM   1720  HB  VAL   115      24.039  13.436 -12.578
ATOM   1721  CG1 VAL   115      23.630  11.832 -11.258
ATOM   1722 1HG1 VAL   115      22.540  11.931 -11.376
ATOM   1723 2HG1 VAL   115      23.893  10.768 -11.155
ATOM   1724 3HG1 VAL   115      23.953  12.379 -10.358
ATOM   1725  CG2 VAL   115      25.838  12.352 -12.318
ATOM   1726 1HG2 VAL   115      26.159  11.301 -12.243
ATOM   1727 2HG2 VAL   115      26.319  12.821 -13.190
ATOM   1728 3HG2 VAL   115      26.130  12.891 -11.403
ATOM   1729  C   VAL   115      22.372  11.695 -13.856
ATOM   1730  O   VAL   115      21.692  10.753 -13.449
ATOM   1731  N   ARG   116      21.844  12.785 -14.403
ATOM   1732  HN  ARG   116      22.456  13.523 -14.719
ATOM   1733  CA  ARG   116      20.403  12.941 -14.558
ATOM   1734  HA  ARG   116      19.960  13.002 -13.586
ATOM   1735  CB  ARG   116      20.087  14.230 -15.319
ATOM   1736 2HB  ARG   116      20.931  14.888 -15.237
ATOM   1737 3HB  ARG   116      19.924  13.984 -16.351
ATOM   1738  CG  ARG   116      18.858  14.958 -14.799
ATOM   1739 2HG  ARG   116      18.363  14.336 -14.079
ATOM   1740 3HG  ARG   116      19.167  15.872 -14.330
ATOM   1741  CD  ARG   116      17.886  15.283 -15.923
ATOM   1742 2HD  ARG   116      17.388  14.381 -16.222
ATOM   1743 3HD  ARG   116      17.162  15.988 -15.562
ATOM   1744  NE  ARG   116      18.563  15.855 -17.084
ATOM   1745  HE  ARG   116      19.435  16.342 -16.936
ATOM   1746  CZ  ARG   116      18.094  15.769 -18.324
ATOM   1747  NH1 ARG   116      16.952  15.140 -18.562
ATOM   1748 1HH1 ARG   116      16.436  14.724 -17.800
ATOM   1749 2HH1 ARG   116      16.597  15.077 -19.506
ATOM   1750  NH2 ARG   116      18.768  16.315 -19.328
ATOM   1751 1HH2 ARG   116      19.638  16.796 -19.150
ATOM   1752 2HH2 ARG   116      18.411  16.250 -20.270
ATOM   1753  C   ARG   116      19.802  11.745 -15.291
ATOM   1754  O   ARG   116      18.777  11.203 -14.880
ATOM   1755  N   GLY   117      20.449  11.338 -16.379
ATOM   1756  HN  GLY   117      21.288  11.819 -16.671
ATOM   1757  CA  GLY   117      19.963  10.210 -17.152
ATOM   1758 2HA  GLY   117      18.939  10.390 -17.417
ATOM   1759 3HA  GLY   117      20.553  10.124 -18.044
ATOM   1760  C   GLY   117      20.045   8.904 -16.386
ATOM   1761  O   GLY   117      19.053   8.188 -16.261
ATOM   1762  N   GLN   118      21.232   8.594 -15.874
ATOM   1763  HN  GLN   118      22.009   9.225 -16.012
ATOM   1764  CA  GLN   118      21.439   7.364 -15.118
ATOM   1765  HA  GLN   118      21.261   6.532 -15.767
ATOM   1766  CB  GLN   118      22.882   7.288 -14.614
ATOM   1767 2HB  GLN   118      23.140   8.234 -14.179
ATOM   1768 3HB  GLN   118      22.940   6.522 -13.865
ATOM   1769  CG  GLN   118      23.891   6.970 -15.706
ATOM   1770 2HG  GLN   118      23.360   6.653 -16.583
ATOM   1771 3HG  GLN   118      24.449   7.859 -15.928
ATOM   1772  CD  GLN   118      24.860   5.876 -15.303
ATOM   1773  OE1 GLN   118      24.478   4.715 -15.157
ATOM   1774  NE2 GLN   118      26.124   6.241 -15.123
ATOM   1775 1HE2 GLN   118      26.815   5.555 -14.855
ATOM   1776 2HE2 GLN   118      26.395   7.205 -15.254
ATOM   1777  C   GLN   118      20.472   7.278 -13.943
ATOM   1778  O   GLN   118      19.886   6.227 -13.683
ATOM   1779  N   VAL   119      20.310   8.390 -13.233
ATOM   1780  HN  VAL   119      20.821   9.221 -13.496
ATOM   1781  CA  VAL   119      19.413   8.441 -12.085
ATOM   1782  HA  VAL   119      19.721   7.695 -11.383
ATOM   1783  CB  VAL   119      19.467   9.814 -11.390
ATOM   1784  HB  VAL   119      19.307  10.571 -12.129
ATOM   1785  CG1 VAL   119      18.368   9.928 -10.345
ATOM   1786 1HG1 VAL   119      17.387   9.812 -10.830
ATOM   1787 2HG1 VAL   119      18.498   9.139  -9.588
ATOM   1788 3HG1 VAL   119      18.423  10.915  -9.860
ATOM   1789  CG2 VAL   119      20.835  10.040 -10.764
ATOM   1790 1HG2 VAL   119      21.032   9.254 -10.019
ATOM   1791 2HG2 VAL   119      21.608  10.005 -11.548
ATOM   1792 3HG2 VAL   119      20.855  11.025 -10.272
ATOM   1793  C   VAL   119      17.975   8.149 -12.498
ATOM   1794  O   VAL   119      17.311   7.291 -11.915
ATOM   1795  N   LYS   120      17.497   8.868 -13.507
ATOM   1796  HN  LYS   120      18.091   9.558 -13.944
ATOM   1797  CA  LYS   120      16.137   8.687 -14.001
ATOM   1798  HA  LYS   120      15.455   8.863 -13.195
ATOM   1799  CB  LYS   120      15.841   9.689 -15.119
ATOM   1800 2HB  LYS   120      15.840  10.676 -14.698
ATOM   1801 3HB  LYS   120      16.618   9.615 -15.855
ATOM   1802  CG  LYS   120      14.506   9.458 -15.805
ATOM   1803 2HG  LYS   120      14.572   8.572 -16.407
ATOM   1804 3HG  LYS   120      13.748   9.326 -15.057
ATOM   1805  CD  LYS   120      14.124  10.630 -16.693
ATOM   1806 2HD  LYS   120      13.442  11.264 -16.159
ATOM   1807 3HD  LYS   120      15.009  11.184 -16.939
ATOM   1808  CE  LYS   120      13.460  10.162 -17.979
ATOM   1809 2HE  LYS   120      14.195  10.138 -18.760
ATOM   1810 3HE  LYS   120      13.067   9.175 -17.827
ATOM   1811  NZ  LYS   120      12.349  11.066 -18.390
ATOM   1812 1HZ  LYS   120      11.646  11.091 -17.660
ATOM   1813 2HZ  LYS   120      12.712  12.001 -18.542
ATOM   1814 3HZ  LYS   120      11.933  10.722 -19.248
ATOM   1815  C   LYS   120      15.929   7.264 -14.512
ATOM   1816  O   LYS   120      14.931   6.621 -14.191
ATOM   1817  N   GLU   121      16.879   6.780 -15.306
ATOM   1818  HN  GLU   121      17.675   7.359 -15.531
ATOM   1819  CA  GLU   121      16.799   5.434 -15.859
ATOM   1820  HA  GLU   121      15.932   5.374 -16.484
ATOM   1821  CB  GLU   121      18.034   5.133 -16.711
ATOM   1822 2HB  GLU   121      17.733   5.086 -17.740
ATOM   1823 3HB  GLU   121      18.739   5.931 -16.581
ATOM   1824  CG  GLU   121      18.718   3.825 -16.351
ATOM   1825 2HG  GLU   121      19.171   3.929 -15.384
ATOM   1826 3HG  GLU   121      17.979   3.048 -16.318
ATOM   1827  CD  GLU   121      19.790   3.433 -17.349
ATOM   1828  OE1 GLU   121      19.566   2.470 -18.112
ATOM   1829  OE2 GLU   121      20.852   4.090 -17.368
ATOM   1830  C   GLU   121      16.669   4.396 -14.748
ATOM   1831  O   GLU   121      15.832   3.496 -14.819
ATOM   1832  N   ARG   122      17.504   4.528 -13.722
ATOM   1833  HN  ARG   122      18.168   5.289 -13.722
ATOM   1834  CA  ARG   122      17.485   3.602 -12.597
ATOM   1835  HA  ARG   122      17.571   2.605 -12.975
ATOM   1836  CB  ARG   122      18.667   3.874 -11.665
ATOM   1837 2HB  ARG   122      18.608   4.892 -11.330
ATOM   1838 3HB  ARG   122      18.592   3.215 -10.821
ATOM   1839  CG  ARG   122      20.021   3.662 -12.322
ATOM   1840 2HG  ARG   122      20.276   2.621 -12.267
ATOM   1841 3HG  ARG   122      19.960   3.962 -13.351
ATOM   1842  CD  ARG   122      21.107   4.474 -11.634
ATOM   1843 2HD  ARG   122      20.876   5.517 -11.734
ATOM   1844 3HD  ARG   122      21.130   4.211 -10.594
ATOM   1845  NE  ARG   122      22.426   4.226 -12.212
ATOM   1846  HE  ARG   122      22.858   4.963 -12.751
ATOM   1847  CZ  ARG   122      23.088   3.083 -12.067
ATOM   1848  NH1 ARG   122      22.557   2.090 -11.367
ATOM   1849 1HH1 ARG   122      21.647   2.201 -10.943
ATOM   1850 2HH1 ARG   122      23.062   1.222 -11.258
ATOM   1851  NH2 ARG   122      24.283   2.933 -12.623
ATOM   1852 1HH2 ARG   122      24.690   3.688 -13.157
ATOM   1853 2HH2 ARG   122      24.786   2.064 -12.513
ATOM   1854  C   ARG   122      16.176   3.716 -11.821
ATOM   1855  O   ARG   122      15.593   2.711 -11.415
ATOM   1856  N   VAL   123      15.719   4.948 -11.618
ATOM   1857  HN  VAL   123      16.244   5.733 -11.976
ATOM   1858  CA  VAL   123      14.479   5.194 -10.892
ATOM   1859  HA  VAL   123      14.599   4.841  -9.889
ATOM   1860  CB  VAL   123      14.147   6.697 -10.842
ATOM   1861  HB  VAL   123      14.373   7.122 -11.798
ATOM   1862  CG1 VAL   123      12.666   6.908 -10.564
ATOM   1863 1HG1 VAL   123      12.072   6.437 -11.363
ATOM   1864 2HG1 VAL   123      12.406   6.452  -9.596
ATOM   1865 3HG1 VAL   123      12.449   7.987 -10.532
ATOM   1866  CG2 VAL   123      15.000   7.397  -9.795
ATOM   1867 1HG2 VAL   123      14.804   6.955  -8.806
ATOM   1868 2HG2 VAL   123      16.065   7.274 -10.047
ATOM   1869 3HG2 VAL   123      14.749   8.469  -9.774
ATOM   1870  C   VAL   123      13.312   4.447 -11.528
ATOM   1871  O   VAL   123      12.684   3.602 -10.893
ATOM   1872  N   GLU   124      13.028   4.766 -12.787
ATOM   1873  HN  GLU   124      13.582   5.469 -13.254
ATOM   1874  CA  GLU   124      11.936   4.125 -13.509
ATOM   1875  HA  GLU   124      11.021   4.328 -12.993
ATOM   1876  CB  GLU   124      11.831   4.691 -14.927
ATOM   1877 2HB  GLU   124      11.077   4.141 -15.457
ATOM   1878 3HB  GLU   124      11.541   5.722 -14.860
ATOM   1879  CG  GLU   124      13.128   4.607 -15.714
ATOM   1880 2HG  GLU   124      13.134   5.387 -16.451
ATOM   1881 3HG  GLU   124      13.950   4.747 -15.038
ATOM   1882  CD  GLU   124      13.299   3.274 -16.416
ATOM   1883  OE1 GLU   124      12.349   2.464 -16.391
ATOM   1884  OE2 GLU   124      14.383   3.040 -16.989
ATOM   1885  C   GLU   124      12.136   2.613 -13.567
ATOM   1886  O   GLU   124      11.172   1.848 -13.553
ATOM   1887  N   ASN   125      13.394   2.190 -13.632
ATOM   1888  HN  ASN   125      14.142   2.869 -13.639
ATOM   1889  CA  ASN   125      13.721   0.770 -13.693
ATOM   1890  HA  ASN   125      13.126   0.316 -14.458
ATOM   1891  CB  ASN   125      15.197   0.580 -14.047
ATOM   1892 2HB  ASN   125      15.437   1.217 -14.876
ATOM   1893 3HB  ASN   125      15.793   0.857 -13.199
ATOM   1894  CG  ASN   125      15.522  -0.852 -14.424
ATOM   1895  OD1 ASN   125      15.115  -1.793 -13.742
ATOM   1896  ND2 ASN   125      16.259  -1.024 -15.515
ATOM   1897 1HD2 ASN   125      16.507  -1.956 -15.815
ATOM   1898 2HD2 ASN   125      16.572  -0.223 -16.045
ATOM   1899  C   ASN   125      13.411   0.083 -12.367
ATOM   1900  O   ASN   125      12.886  -1.030 -12.339
ATOM   1901  N   LEU   126      13.741   0.754 -11.269
ATOM   1902  HN  LEU   126      14.171   1.663 -11.358
ATOM   1903  CA  LEU   126      13.497   0.210  -9.937
ATOM   1904  HA  LEU   126      13.915  -0.774  -9.890
ATOM   1905  CB  LEU   126      14.177   1.078  -8.877
ATOM   1906 2HB  LEU   126      14.567   0.426  -8.120
ATOM   1907 3HB  LEU   126      14.986   1.601  -9.350
ATOM   1908  CG  LEU   126      13.289   2.115  -8.189
ATOM   1909  HG  LEU   126      12.596   2.497  -8.909
ATOM   1910  CD1 LEU   126      12.500   1.476  -7.057
ATOM   1911 1HD1 LEU   126      11.864   0.673  -7.461
ATOM   1912 2HD1 LEU   126      13.197   1.055  -6.316
ATOM   1913 3HD1 LEU   126      11.868   2.238  -6.575
ATOM   1914  CD2 LEU   126      14.127   3.274  -7.669
ATOM   1915 1HD2 LEU   126      14.864   2.897  -6.943
ATOM   1916 2HD2 LEU   126      14.651   3.754  -8.510
ATOM   1917 3HD2 LEU   126      13.471   4.009  -7.178
ATOM   1918  C   LEU   126      12.002   0.116  -9.652
ATOM   1919  O   LEU   126      11.544  -0.815  -8.989
ATOM   1920  N   ILE   127      11.247   1.085 -10.158
ATOM   1921  HN  ILE   127      11.684   1.822 -10.693
ATOM   1922  CA  ILE   127       9.803   1.110  -9.960
ATOM   1923  HA  ILE   127       9.606   1.092  -8.908
ATOM   1924  CB  ILE   127       9.175   2.387 -10.550
ATOM   1925  HB  ILE   127       9.439   2.448 -11.585
ATOM   1926  CG2 ILE   127       7.659   2.331 -10.441
ATOM   1927 1HG2 ILE   127       7.283   1.457 -10.996
ATOM   1928 2HG2 ILE   127       7.370   2.246  -9.382
ATOM   1929 3HG2 ILE   127       7.226   3.250 -10.866
ATOM   1930  CG1 ILE   127       9.721   3.625  -9.836
ATOM   1931 2HG1 ILE   127       9.071   3.857  -9.014
ATOM   1932 3HG1 ILE   127      10.701   3.397  -9.463
ATOM   1933  CD1 ILE   127       9.819   4.843 -10.728
ATOM   1934 1HD1 ILE   127      10.492   4.626 -11.572
ATOM   1935 2HD1 ILE   127       8.819   5.098 -11.112
ATOM   1936 3HD1 ILE   127      10.218   5.691 -10.149
ATOM   1937  C   ILE   127       9.140  -0.108 -10.595
ATOM   1938  O   ILE   127       8.142  -0.619 -10.088
ATOM   1939  N   ALA   128       9.704  -0.570 -11.706
ATOM   1940  HN  ALA   128      10.523  -0.106 -12.073
ATOM   1941  CA  ALA   128       9.170  -1.730 -12.408
ATOM   1942  HA  ALA   128       8.133  -1.556 -12.604
ATOM   1943  CB  ALA   128       9.884  -1.917 -13.739
ATOM   1944 1HB  ALA   128       9.739  -1.021 -14.363
ATOM   1945 2HB  ALA   128      10.960  -2.069 -13.560
ATOM   1946 3HB  ALA   128       9.470  -2.796 -14.257
ATOM   1947  C   ALA   128       9.293  -2.991 -11.559
ATOM   1948  O   ALA   128       8.467  -3.899 -11.653
ATOM   1949  N   LYS   129      10.330  -3.040 -10.729
ATOM   1950  HN  LYS   129      10.973  -2.262 -10.698
ATOM   1951  CA  LYS   129      10.562  -4.189  -9.862
ATOM   1952  HA  LYS   129      10.456  -5.082 -10.442
ATOM   1953  CB  LYS   129      11.981  -4.144  -9.291
ATOM   1954 2HB  LYS   129      12.072  -3.268  -8.678
ATOM   1955 3HB  LYS   129      12.132  -5.019  -8.689
ATOM   1956  CG  LYS   129      13.064  -4.100 -10.356
ATOM   1957 2HG  LYS   129      13.171  -5.078 -10.785
ATOM   1958 3HG  LYS   129      12.774  -3.404 -11.120
ATOM   1959  CD  LYS   129      14.400  -3.667  -9.775
ATOM   1960 2HD  LYS   129      14.225  -3.121  -8.868
ATOM   1961 3HD  LYS   129      14.986  -4.540  -9.559
ATOM   1962  CE  LYS   129      15.169  -2.783 -10.744
ATOM   1963 2HE  LYS   129      14.509  -2.476 -11.532
ATOM   1964 3HE  LYS   129      15.524  -1.918 -10.218
ATOM   1965  NZ  LYS   129      16.333  -3.496 -11.341
ATOM   1966 1HZ  LYS   129      16.966  -3.786 -10.604
ATOM   1967 2HZ  LYS   129      16.006  -4.312 -11.846
ATOM   1968 3HZ  LYS   129      16.818  -2.875 -11.979
ATOM   1969  C   LYS   129       9.547  -4.225  -8.724
ATOM   1970  O   LYS   129       8.825  -5.209  -8.555
ATOM   1971  N   ILE   130       9.495  -3.148  -7.948
ATOM   1972  HN  ILE   130      10.114  -2.373  -8.138
ATOM   1973  CA  ILE   130       8.566  -3.057  -6.829
ATOM   1974  HA  ILE   130       8.749  -3.881  -6.171
ATOM   1975  CB  ILE   130       8.763  -1.750  -6.038
ATOM   1976  HB  ILE   130       7.824  -1.467  -5.610
ATOM   1977  CG2 ILE   130       9.764  -1.959  -4.912
ATOM   1978 1HG2 ILE   130       9.391  -2.739  -4.230
ATOM   1979 2HG2 ILE   130      10.731  -2.272  -5.334
ATOM   1980 3HG2 ILE   130       9.894  -1.017  -4.357
ATOM   1981  CG1 ILE   130       9.228  -0.630  -6.970
ATOM   1982 2HG1 ILE   130      10.290  -0.714  -7.098
ATOM   1983 3HG1 ILE   130       8.743  -0.755  -7.919
ATOM   1984  CD1 ILE   130       8.916   0.757  -6.451
ATOM   1985 1HD1 ILE   130       7.828   0.865  -6.324
ATOM   1986 2HD1 ILE   130       9.415   0.907  -5.481
ATOM   1987 3HD1 ILE   130       9.278   1.508  -7.170
ATOM   1988  C   ILE   130       7.120  -3.135  -7.307
ATOM   1989  O   ILE   130       6.229  -3.537  -6.559
ATOM   1990  N   SER   131       6.895  -2.751  -8.559
ATOM   1991  HN  SER   131       7.670  -2.435  -9.124
ATOM   1992  CA  SER   131       5.557  -2.775  -9.138
ATOM   1993  HA  SER   131       4.983  -1.984  -8.702
ATOM   1994  CB  SER   131       5.627  -2.550 -10.649
ATOM   1995 2HB  SER   131       6.251  -1.700 -10.848
ATOM   1996 3HB  SER   131       6.049  -3.420 -11.114
ATOM   1997  OG  SER   131       4.339  -2.315 -11.191
ATOM   1998  HG  SER   131       4.411  -2.177 -12.138
ATOM   1999  C   SER   131       4.861  -4.101  -8.842
ATOM   2000  O   SER   131       4.786  -4.978  -9.700
ATOM   2001  OXT SER   131       4.369  -4.314  -7.736
TER   
END   

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1   0.345  -0.470  -3.167
    2    HA   MET   1           HA       MET   1   2.415   0.544  -3.831
    3    HB2  MET   1           HB2      MET   1   0.807   1.936  -2.646
    4    HB3  MET   1           HB3      MET   1   1.409   1.395  -1.075
    5    HG2  MET   1           HG2      MET   1   3.494   2.531  -1.372
    6    HG3  MET   1           HG3      MET   1   3.169   2.841  -3.073
    7    HE1  MET   1           HE1      MET   1   0.753   5.829  -3.132
    8    HE2  MET   1           HE2      MET   1   1.982   4.927  -4.036
    9    HE3  MET   1           HE3      MET   1   0.484   4.118  -3.518
   10    H    LYS   2           H        LYS   2   4.604   1.010  -3.425
   11    HA   LYS   2           HA       LYS   2   5.973  -0.407  -1.161
   12    HB2  LYS   2           HB2      LYS   2   6.856  -0.115  -4.076
   13    HB3  LYS   2           HB3      LYS   2   7.901  -0.659  -2.776
   14    HG2  LYS   2           HG2      LYS   2   5.408  -2.115  -3.795
   15    HG3  LYS   2           HG3      LYS   2   7.087  -2.511  -4.137
   16    HD2  LYS   2           HD2      LYS   2   7.198  -2.527  -1.460
   17    HD3  LYS   2           HD3      LYS   2   5.517  -3.031  -1.667
   18    HE2  LYS   2           HE2      LYS   2   6.255  -4.910  -3.115
   19    HE3  LYS   2           HE3      LYS   2   7.915  -4.296  -3.077
   20    HZ1  LYS   2           HZ1      LYS   2   6.470  -5.503  -0.808
   21    HZ2  LYS   2           HZ2      LYS   2   7.866  -6.024  -1.533
   22    HZ3  LYS   2           HZ3      LYS   2   7.901  -4.685  -0.656
   23    H    LYS   3           H        LYS   3   7.461   0.871  -0.122
   24    HA   LYS   3           HA       LYS   3   7.475   3.725  -0.935
   25    HB2  LYS   3           HB2      LYS   3   7.707   2.278   1.701
   26    HB3  LYS   3           HB3      LYS   3   8.633   3.757   1.522
   27    HG2  LYS   3           HG2      LYS   3   6.756   5.045   0.800
   28    HG3  LYS   3           HG3      LYS   3   5.681   3.629   0.770
   29    HD2  LYS   3           HD2      LYS   3   5.807   3.436   3.194
   30    HD3  LYS   3           HD3      LYS   3   7.086   4.678   3.260
   31    HE2  LYS   3           HE2      LYS   3   5.539   6.360   2.388
   32    HE3  LYS   3           HE3      LYS   3   4.237   5.159   2.295
   33    HZ1  LYS   3           HZ1      LYS   3   5.636   5.874   4.808
   34    HZ2  LYS   3           HZ2      LYS   3   4.204   6.559   4.342
   35    HZ3  LYS   3           HZ3      LYS   3   4.298   4.957   4.675
   36    H    VAL   4           H        VAL   4   9.175   4.542  -1.929
   37    HA   VAL   4           HA       VAL   4  11.725   3.039  -1.761
   38    HB   VAL   4           HB       VAL   4  10.725   3.292  -3.952
   39   HG11  VAL   4          HG11      VAL   4   9.553   5.421  -3.806
   40   HG12  VAL   4          HG12      VAL   4  11.113   6.273  -3.677
   41   HG13  VAL   4          HG13      VAL   4  10.690   5.421  -5.165
   42   HG21  VAL   4          HG21      VAL   4  13.275   4.965  -3.747
   43   HG22  VAL   4          HG22      VAL   4  13.230   3.194  -3.709
   44   HG23  VAL   4          HG23      VAL   4  12.695   4.066  -5.150
   45    H    MET   5           H        MET   5  13.516   3.889  -1.105
   46    HA   MET   5           HA       MET   5  13.572   6.726  -0.168
   47    HB2  MET   5           HB2      MET   5  13.564   5.266   1.708
   48    HB3  MET   5           HB3      MET   5  14.693   4.156   0.942
   49    HG2  MET   5           HG2      MET   5  15.818   5.422   2.658
   50    HG3  MET   5           HG3      MET   5  16.474   5.724   1.078
   51    HE1  MET   5           HE1      MET   5  13.134   7.369   2.506
   52    HE2  MET   5           HE2      MET   5  14.158   7.409   3.963
   53    HE3  MET   5           HE3      MET   5  13.741   8.912   3.133
   54    H    PHE   6           H        PHE   6  15.372   7.974  -0.774
   55    HA   PHE   6           HA       PHE   6  17.519   6.642  -2.353
   56    HB2  PHE   6           HB2      PHE   6  16.428   9.395  -2.828
   57    HB3  PHE   6           HB3      PHE   6  17.829   8.640  -3.613
   58    HD1  PHE   6           HD1      PHE   6  17.553   6.815  -5.239
   59    HD2  PHE   6           HD2      PHE   6  14.143   8.732  -3.403
   60    HE1  PHE   6           HE1      PHE   6  16.063   5.836  -6.987
   61    HE2  PHE   6           HE2      PHE   6  12.678   7.646  -5.130
   62    HZ   PHE   6           HZ       PHE   6  13.627   6.275  -6.904
   63    H    VAL   7           H        VAL   7  19.536   6.917  -1.208
   64    HA   VAL   7           HA       VAL   7  19.666   9.114   0.830
   65    HB   VAL   7           HB       VAL   7  20.951   6.368   1.126
   66   HG11  VAL   7          HG11      VAL   7  21.208   7.017   3.450
   67   HG12  VAL   7          HG12      VAL   7  21.919   8.264   2.446
   68   HG13  VAL   7          HG13      VAL   7  20.319   8.535   3.182
   69   HG21  VAL   7          HG21      VAL   7  19.178   5.835   2.787
   70   HG22  VAL   7          HG22      VAL   7  18.264   7.245   2.207
   71   HG23  VAL   7          HG23      VAL   7  18.627   5.874   1.113
   72    H    CYS   8           H        CYS   8  21.420  10.479   0.470
   73    HA   CYS   8           HA       CYS   8  23.731   9.368  -1.079
   74    HB2  CYS   8           HB2      CYS   8  22.438  10.875  -2.510
   75    HB3  CYS   8           HB3      CYS   8  22.430  12.122  -1.288
   76    HG   CYS   8           HG       CYS   8  24.875  10.817  -3.036
   77    H    LYS   9           H        LYS   9  25.735  10.592  -0.723
   78    HA   LYS   9           HA       LYS   9  26.433  10.844   2.030
   79    HB2  LYS   9           HB2      LYS   9  27.721  10.849  -0.539
   80    HB3  LYS   9           HB3      LYS   9  28.192  12.353   0.256
   81    HG2  LYS   9           HG2      LYS   9  29.007  11.111   2.200
   82    HG3  LYS   9           HG3      LYS   9  28.374   9.587   1.536
   83    HD2  LYS   9           HD2      LYS   9  29.872   9.720  -0.377
   84    HD3  LYS   9           HD3      LYS   9  30.505  11.283   0.151
   85    HE2  LYS   9           HE2      LYS   9  30.743   8.682   1.736
   86    HE3  LYS   9           HE3      LYS   9  31.984   9.298   0.643
   87    HZ1  LYS   9           HZ1      LYS   9  31.049  10.690   3.087
   88    HZ2  LYS   9           HZ2      LYS   9  32.469   9.915   2.908
   89    HZ3  LYS   9           HZ3      LYS   9  32.178  11.263   2.049
   90    H    ARG  10           H        ARG  10  24.867  13.108  -0.139
   91    HA   ARG  10           HA       ARG  10  24.897  15.153   2.021
   92    HB2  ARG  10           HB2      ARG  10  25.252  16.904   0.278
   93    HB3  ARG  10           HB3      ARG  10  26.622  15.881   0.676
   94    HG2  ARG  10           HG2      ARG  10  26.362  14.609  -1.414
   95    HG3  ARG  10           HG3      ARG  10  24.879  15.486  -1.805
   96    HD2  ARG  10           HD2      ARG  10  26.797  16.381  -3.047
   97    HD3  ARG  10           HD3      ARG  10  26.102  17.581  -1.954
   98    HE   ARG  10           HE       ARG  10  28.034  17.722  -0.798
   99   HH11  ARG  10          HH11      ARG  10  28.251  14.742  -2.760
  100   HH12  ARG  10          HH12      ARG  10  29.928  14.496  -2.396
  101   HH21  ARG  10          HH21      ARG  10  30.243  17.366  -0.340
  102   HH22  ARG  10          HH22      ARG  10  31.072  16.010  -0.996
  103    H    ASN  11           H        ASN  11  22.850  13.319   0.200
  104    HA   ASN  11           HA       ASN  11  20.712  13.344  -0.523
  105    HB2  ASN  11           HB2      ASN  11  20.076  14.100   1.711
  106    HB3  ASN  11           HB3      ASN  11  20.377  15.771   1.274
  107   HD21  ASN  11          HD22      ASN  11  18.363  12.964   0.170
  108   HD22  ASN  11          HD21      ASN  11  17.005  13.965  -0.340
  109    H    SER  12           H        SER  12  21.982  16.648  -0.574
  110    HA   SER  12           HA       SER  12  20.276  18.062  -1.952
  111    HB2  SER  12           HB2      SER  12  22.335  19.398  -2.634
  112    HB3  SER  12           HB3      SER  12  22.119  18.991  -0.910
  113    HG   SER  12           HG       SER  12  23.822  17.622  -2.724
  114    H    CYS  13           H        CYS  13  22.158  15.662  -3.692
  115    HA   CYS  13           HA       CYS  13  21.384  16.986  -6.269
  116    HB2  CYS  13           HB2      CYS  13  24.024  15.553  -5.702
  117    HB3  CYS  13           HB3      CYS  13  23.543  16.382  -7.190
  118    HG   CYS  13           HG       CYS  13  25.393  17.628  -5.702
  119    H    ARG  14           H        ARG  14  22.922  13.860  -5.290
  120    HA   ARG  14           HA       ARG  14  21.792  12.572  -7.522
  121    HB2  ARG  14           HB2      ARG  14  23.039  11.382  -5.021
  122    HB3  ARG  14           HB3      ARG  14  22.512  10.411  -6.410
  123    HG2  ARG  14           HG2      ARG  14  23.963  11.589  -7.921
  124    HG3  ARG  14           HG3      ARG  14  24.453  12.743  -6.680
  125    HD2  ARG  14           HD2      ARG  14  24.942   9.766  -6.352
  126    HD3  ARG  14           HD3      ARG  14  26.045  10.807  -7.275
  127    HE   ARG  14           HE       ARG  14  25.582  11.992  -4.729
  128   HH11  ARG  14          HH11      ARG  14  27.449   9.357  -6.247
  129   HH12  ARG  14          HH12      ARG  14  28.436   9.123  -4.841
  130   HH21  ARG  14          HH21      ARG  14  27.299  12.008  -3.251
  131   HH22  ARG  14          HH22      ARG  14  28.270  10.554  -3.043
  132    H    SER  15           H        SER  15  20.798  12.392  -4.004
  133    HA   SER  15           HA       SER  15  18.592  10.682  -4.479
  134    HB2  SER  15           HB2      SER  15  18.557  12.648  -2.218
  135    HB3  SER  15           HB3      SER  15  18.117  10.928  -2.265
  136    HG   SER  15           HG       SER  15  19.945  11.090  -1.128
  137    H    GLN  16           H        GLN  16  18.846  14.272  -4.198
  138    HA   GLN  16           HA       GLN  16  16.092  14.835  -4.121
  139    HB2  GLN  16           HB2      GLN  16  18.570  16.364  -4.974
  140    HB3  GLN  16           HB3      GLN  16  16.993  17.096  -5.213
  141    HG2  GLN  16           HG2      GLN  16  17.931  15.995  -2.540
  142    HG3  GLN  16           HG3      GLN  16  18.119  17.675  -3.011
  143   HE21  GLN  16          HE22      GLN  16  16.643  16.623  -0.750
  144   HE22  GLN  16          HE21      GLN  16  14.990  17.211  -0.935
  145    H    MET  17           H        MET  17  18.248  14.594  -7.010
  146    HA   MET  17           HA       MET  17  16.127  15.124  -8.880
  147    HB2  MET  17           HB2      MET  17  18.828  13.746  -9.076
  148    HB3  MET  17           HB3      MET  17  17.705  13.812 -10.434
  149    HG2  MET  17           HG2      MET  17  17.558  16.341 -10.013
  150    HG3  MET  17           HG3      MET  17  19.020  16.157  -9.041
  151    HE1  MET  17           HE1      MET  17  21.385  15.923 -10.046
  152    HE2  MET  17           HE2      MET  17  20.896  14.261 -10.466
  153    HE3  MET  17           HE3      MET  17  21.715  15.283 -11.674
  154    H    ALA  18           H        ALA  18  17.435  12.060  -7.499
  155    HA   ALA  18           HA       ALA  18  15.832  10.334  -9.035
  156    HB1  ALA  18           HB1      ALA  18  17.778   9.698  -7.520
  157    HB2  ALA  18           HB2      ALA  18  16.663   9.868  -6.147
  158    HB3  ALA  18           HB3      ALA  18  16.340   8.671  -7.419
  159    H    GLU  19           H        GLU  19  15.062  12.118  -6.043
  160    HA   GLU  19           HA       GLU  19  12.534  10.827  -5.635
  161    HB2  GLU  19           HB2      GLU  19  13.479  11.908  -3.779
  162    HB3  GLU  19           HB3      GLU  19  13.663  13.457  -4.621
  163    HG2  GLU  19           HG2      GLU  19  11.294  13.846  -4.634
  164    HG3  GLU  19           HG3      GLU  19  10.942  12.202  -4.111
  165    H    GLY  20           H        GLY  20  13.457  13.817  -7.395
  166    HA2  GLY  20           HA2      GLY  20  10.834  14.664  -8.047
  167    HA3  GLY  20           HA3      GLY  20  12.317  15.033  -8.944
  168    H    PHE  21           H        PHE  21  13.106  12.443  -9.841
  169    HA   PHE  21           HA       PHE  21  11.180  12.000 -11.949
  170    HB2  PHE  21           HB2      PHE  21  13.518  10.252 -11.102
  171    HB3  PHE  21           HB3      PHE  21  12.567  10.048 -12.569
  172    HD1  PHE  21           HD1      PHE  21  12.322  12.345 -14.042
  173    HD2  PHE  21           HD2      PHE  21  15.550  11.379 -11.354
  174    HE1  PHE  21           HE1      PHE  21  13.702  14.233 -14.977
  175    HE2  PHE  21           HE2      PHE  21  16.892  13.243 -12.314
  176    HZ   PHE  21           HZ       PHE  21  15.898  14.693 -14.074
  177    H    ALA  22           H        ALA  22  11.991  10.085  -8.987
  178    HA   ALA  22           HA       ALA  22  10.265   7.943  -9.519
  179    HB1  ALA  22           HB1      ALA  22  10.414   7.485  -7.085
  180    HB2  ALA  22           HB2      ALA  22  12.003   7.923  -7.750
  181    HB3  ALA  22           HB3      ALA  22  11.068   9.121  -6.840
  182    H    LYS  23           H        LYS  23   9.431  11.012  -7.781
  183    HA   LYS  23           HA       LYS  23   6.782  10.013  -7.348
  184    HB2  LYS  23           HB2      LYS  23   6.186  12.121  -6.506
  185    HB3  LYS  23           HB3      LYS  23   7.818  11.792  -5.958
  186    HG2  LYS  23           HG2      LYS  23   8.633  13.262  -7.894
  187    HG3  LYS  23           HG3      LYS  23   6.928  13.708  -8.117
  188    HD2  LYS  23           HD2      LYS  23   7.044  14.173  -5.483
  189    HD3  LYS  23           HD3      LYS  23   8.793  14.271  -5.794
  190    HE2  LYS  23           HE2      LYS  23   8.253  15.898  -7.670
  191    HE3  LYS  23           HE3      LYS  23   6.553  15.811  -7.164
  192    HZ1  LYS  23           HZ1      LYS  23   7.229  16.738  -5.013
  193    HZ2  LYS  23           HZ2      LYS  23   8.807  16.790  -5.462
  194    HZ3  LYS  23           HZ3      LYS  23   7.702  17.743  -6.206
  195    H    THR  24           H        THR  24   8.304  11.740 -10.141
  196    HA   THR  24           HA       THR  24   5.714  12.413 -11.187
  197    HB   THR  24           HB       THR  24   8.459  12.062 -12.568
  198    HG1  THR  24           HG1      THR  24   8.714  13.637 -11.053
  199   HG21  THR  24          HG21      THR  24   5.994  13.635 -13.403
  200   HG22  THR  24          HG22      THR  24   7.577  13.674 -14.227
  201   HG23  THR  24          HG23      THR  24   6.645  12.173 -14.187
  202    H    LEU  25           H        LEU  25   8.034   9.791 -11.612
  203    HA   LEU  25           HA       LEU  25   6.704   8.418 -13.724
  204    HB2  LEU  25           HB2      LEU  25   8.785   7.561 -11.684
  205    HB3  LEU  25           HB3      LEU  25   8.328   6.603 -13.091
  206    HG   LEU  25           HG       LEU  25   9.498   9.429 -13.309
  207   HD11  LEU  25          HD11      LEU  25  11.613   8.220 -13.878
  208   HD12  LEU  25          HD12      LEU  25  11.068   8.015 -12.202
  209   HD13  LEU  25          HD13      LEU  25  10.837   6.698 -13.368
  210   HD21  LEU  25          HD21      LEU  25   8.238   8.719 -15.300
  211   HD22  LEU  25          HD22      LEU  25   9.973   8.716 -15.640
  212   HD23  LEU  25          HD23      LEU  25   9.125   7.180 -15.343
  213    H    GLY  26           H        GLY  26   6.817   7.962 -10.212
  214    HA2  GLY  26           HA2      GLY  26   4.641   5.928 -10.462
  215    HA3  GLY  26           HA3      GLY  26   6.053   5.805  -9.421
  216    H    ALA  27           H        ALA  27   4.878   9.021  -9.015
  217    HA   ALA  27           HA       ALA  27   3.691   8.513  -6.499
  218    HB1  ALA  27           HB1      ALA  27   3.241  10.873  -8.425
  219    HB2  ALA  27           HB2      ALA  27   2.647  10.806  -6.752
  220    HB3  ALA  27           HB3      ALA  27   4.379  10.817  -7.076
  221    H    GLY  28           H        GLY  28   1.988   7.314  -6.084
  222    HA2  GLY  28           HA2      GLY  28  -0.532   7.250  -6.362
  223    HA3  GLY  28           HA3      GLY  28  -0.211   7.041  -8.091
  224    H    LYS  29           H        LYS  29   2.284   5.358  -7.435
  225    HA   LYS  29           HA       LYS  29   0.972   2.921  -6.350
  226    HB2  LYS  29           HB2      LYS  29   2.171   1.613  -8.134
  227    HB3  LYS  29           HB3      LYS  29   0.749   2.539  -8.589
  228    HG2  LYS  29           HG2      LYS  29   2.170   2.846 -10.394
  229    HG3  LYS  29           HG3      LYS  29   2.302   4.348  -9.514
  230    HD2  LYS  29           HD2      LYS  29   4.511   3.738 -10.202
  231    HD3  LYS  29           HD3      LYS  29   4.408   3.501  -8.466
  232    HE2  LYS  29           HE2      LYS  29   5.603   1.636  -9.455
  233    HE3  LYS  29           HE3      LYS  29   4.050   1.019  -8.901
  234    HZ1  LYS  29           HZ1      LYS  29   4.750   0.332 -11.198
  235    HZ2  LYS  29           HZ2      LYS  29   3.258   1.014 -11.153
  236    HZ3  LYS  29           HZ3      LYS  29   4.550   1.855 -11.710
  237    H    ILE  30           H        ILE  30   3.785   4.964  -6.474
  238    HA   ILE  30           HA       ILE  30   4.844   3.386  -4.217
  239    HB   ILE  30           HB       ILE  30   7.123   4.051  -4.855
  240   HG12  ILE  30          HG12      ILE  30   6.273   4.492  -7.714
  241   HG13  ILE  30          HG13      ILE  30   6.304   5.858  -6.597
  242   HG21  ILE  30          HG21      ILE  30   7.418   2.288  -6.601
  243   HG22  ILE  30          HG22      ILE  30   6.412   1.802  -5.234
  244   HG23  ILE  30          HG23      ILE  30   5.659   2.197  -6.796
  245   HD11  ILE  30          HD11      ILE  30   8.736   4.092  -7.163
  246   HD12  ILE  30          HD12      ILE  30   8.393   5.658  -7.908
  247   HD13  ILE  30          HD13      ILE  30   8.643   5.575  -6.159
  248    H    ALA  31           H        ALA  31   5.842   4.698  -2.655
  249    HA   ALA  31           HA       ALA  31   5.346   7.638  -2.904
  250    HB1  ALA  31           HB1      ALA  31   3.846   6.769  -1.222
  251    HB2  ALA  31           HB2      ALA  31   5.126   5.776  -0.503
  252    HB3  ALA  31           HB3      ALA  31   5.200   7.549  -0.377
  253    H    VAL  32           H        VAL  32   7.204   8.772  -2.813
  254    HA   VAL  32           HA       VAL  32   9.702   7.353  -2.164
  255    HB   VAL  32           HB       VAL  32   9.482   7.969  -4.430
  256   HG11  VAL  32          HG11      VAL  32   8.769  10.794  -3.645
  257   HG12  VAL  32          HG12      VAL  32   9.266  10.266  -5.265
  258   HG13  VAL  32          HG13      VAL  32   7.786   9.621  -4.567
  259   HG21  VAL  32          HG21      VAL  32  11.699   8.428  -3.253
  260   HG22  VAL  32          HG22      VAL  32  11.432   9.343  -4.747
  261   HG23  VAL  32          HG23      VAL  32  11.240  10.137  -3.191
  262    H    THR  33           H        THR  33  11.296   8.353  -0.883
  263    HA   THR  33           HA       THR  33  10.982  11.154  -0.159
  264    HB   THR  33           HB       THR  33  11.585   9.032   1.945
  265    HG1  THR  33           HG1      THR  33   9.142  10.031   1.124
  266   HG21  THR  33          HG21      THR  33  11.149  10.861   3.551
  267   HG22  THR  33          HG22      THR  33  12.491  11.239   2.473
  268   HG23  THR  33          HG23      THR  33  10.903  11.992   2.200
  269    H    SER  34           H        SER  34  13.108  12.067  -0.370
  270    HA   SER  34           HA       SER  34  15.355  10.136  -0.466
  271    HB2  SER  34           HB2      SER  34  16.588  11.955  -1.452
  272    HB3  SER  34           HB3      SER  34  15.156  11.592  -2.414
  273    HG   SER  34           HG       SER  34  14.172  13.417  -1.547
  274    H    CYS  35           H        CYS  35  17.255  10.657   0.700
  275    HA   CYS  35           HA       CYS  35  17.118  12.558   2.920
  276    HB2  CYS  35           HB2      CYS  35  17.109   9.531   3.118
  277    HB3  CYS  35           HB3      CYS  35  17.938  10.473   4.364
  278    HG   CYS  35           HG       CYS  35  14.940  11.280   3.341
  279    H    GLY  36           H        GLY  36  19.412  12.016   4.134
  280    HA2  GLY  36           HA2      GLY  36  21.424  10.938   2.342
  281    HA3  GLY  36           HA3      GLY  36  21.681  12.645   2.783
  282    H    LEU  37           H        LEU  37  23.296  10.443   3.375
  283    HA   LEU  37           HA       LEU  37  23.259   9.527   6.008
  284    HB2  LEU  37           HB2      LEU  37  24.790   8.861   4.191
  285    HB3  LEU  37           HB3      LEU  37  25.432  10.511   4.108
  286    HG   LEU  37           HG       LEU  37  26.287  10.321   6.360
  287   HD11  LEU  37          HD11      LEU  37  25.288   7.432   6.166
  288   HD12  LEU  37          HD12      LEU  37  26.429   7.996   7.415
  289   HD13  LEU  37          HD13      LEU  37  24.784   8.642   7.357
  290   HD21  LEU  37          HD21      LEU  37  28.154   8.759   5.777
  291   HD22  LEU  37          HD22      LEU  37  27.154   8.097   4.458
  292   HD23  LEU  37          HD23      LEU  37  27.686   9.790   4.410
  293    H    GLU  38           H        GLU  38  23.962  12.683   4.619
  294    HA   GLU  38           HA       GLU  38  23.434  14.016   7.124
  295    HB2  GLU  38           HB2      GLU  38  25.975  13.774   7.009
  296    HB3  GLU  38           HB3      GLU  38  25.927  14.728   5.514
  297    HG2  GLU  38           HG2      GLU  38  24.961  16.632   6.743
  298    HG3  GLU  38           HG3      GLU  38  24.856  15.663   8.211
  299    H    SER  39           H        SER  39  22.521  16.104   6.565
  300    HA   SER  39           HA       SER  39  21.409  16.235   3.855
  301    HB2  SER  39           HB2      SER  39  20.241  18.272   4.986
  302    HB3  SER  39           HB3      SER  39  19.821  16.635   5.503
  303    HG   SER  39           HG       SER  39  20.214  18.124   7.252
  304    H    SER  40           H        SER  40  21.404  18.273   2.638
  305    HA   SER  40           HA       SER  40  23.109  20.492   3.279
  306    HB2  SER  40           HB2      SER  40  23.760  18.705   0.877
  307    HB3  SER  40           HB3      SER  40  24.369  20.353   1.091
  308    HG   SER  40           HG       SER  40  24.714  18.614   3.222
  309    H    ARG  41           H        ARG  41  22.559  22.265   1.650
  310    HA   ARG  41           HA       ARG  41  19.847  22.446   1.131
  311    HB2  ARG  41           HB2      ARG  41  20.302  24.437  -0.026
  312    HB3  ARG  41           HB3      ARG  41  21.501  24.334   1.240
  313    HG2  ARG  41           HG2      ARG  41  21.963  23.856  -1.748
  314    HG3  ARG  41           HG3      ARG  41  22.348  25.289  -0.832
  315    HD2  ARG  41           HD2      ARG  41  24.400  24.356  -1.040
  316    HD3  ARG  41           HD3      ARG  41  23.949  23.791   0.567
  317    HE   ARG  41           HE       ARG  41  23.101  21.723  -0.902
  318   HH11  ARG  41          HH11      ARG  41  26.126  23.522  -1.604
  319   HH12  ARG  41          HH12      ARG  41  26.832  22.124  -2.390
  320   HH21  ARG  41          HH21      ARG  41  24.341  19.844  -1.706
  321   HH22  ARG  41          HH22      ARG  41  25.868  20.219  -2.468
  322    H    VAL  42           H        VAL  42  18.498  22.033  -0.720
  323    HA   VAL  42           HA       VAL  42  19.450  20.034  -2.572
  324    HB   VAL  42           HB       VAL  42  17.149  20.003  -2.148
  325   HG11  VAL  42          HG11      VAL  42  15.564  21.765  -2.825
  326   HG12  VAL  42          HG12      VAL  42  16.624  22.276  -1.507
  327   HG13  VAL  42          HG13      VAL  42  16.925  22.855  -3.166
  328   HG21  VAL  42          HG21      VAL  42  17.963  19.471  -4.493
  329   HG22  VAL  42          HG22      VAL  42  16.255  19.950  -4.405
  330   HG23  VAL  42          HG23      VAL  42  17.489  21.094  -4.983
  331    H    HIS  43           H        HIS  43  20.444  20.262  -4.471
  332    HA   HIS  43           HA       HIS  43  21.914  22.697  -4.702
  333    HB2  HIS  43           HB2      HIS  43  22.584  20.217  -5.031
  334    HB3  HIS  43           HB3      HIS  43  21.944  20.375  -6.661
  335    HD1  HIS  43           HD1      HIS  43  23.593  21.670  -8.359
  336    HD2  HIS  43           HD2      HIS  43  24.751  21.706  -4.326
  337    HE1  HIS  43           HE1      HIS  43  25.947  22.648  -8.291
  338    HA   PRO  44           HA       PRO  44  19.162  24.644  -7.450
  339    HB2  PRO  44           HB2      PRO  44  20.609  26.705  -8.533
  340    HB3  PRO  44           HB3      PRO  44  20.219  26.612  -6.789
  341    HG2  PRO  44           HG2      PRO  44  22.798  25.825  -8.168
  342    HG3  PRO  44           HG3      PRO  44  22.585  26.762  -6.660
  343    HD2  PRO  44           HD2      PRO  44  23.126  24.057  -6.731
  344    HD3  PRO  44           HD3      PRO  44  22.196  24.826  -5.404
  345    H    THR  45           H        THR  45  22.285  23.986  -9.245
  346    HA   THR  45           HA       THR  45  21.048  24.122 -11.746
  347    HB   THR  45           HB       THR  45  23.363  22.363 -10.802
  348    HG1  THR  45           HG1      THR  45  24.653  24.162 -11.187
  349   HG21  THR  45          HG21      THR  45  24.350  22.745 -13.059
  350   HG22  THR  45          HG22      THR  45  22.891  21.765 -13.072
  351   HG23  THR  45          HG23      THR  45  22.793  23.465 -13.581
  352    H    ALA  46           H        ALA  46  20.814  21.585  -9.369
  353    HA   ALA  46           HA       ALA  46  20.044  19.346 -10.916
  354    HB1  ALA  46           HB1      ALA  46  18.983  18.619  -8.891
  355    HB2  ALA  46           HB2      ALA  46  20.325  19.642  -8.323
  356    HB3  ALA  46           HB3      ALA  46  18.629  20.281  -8.384
  357    H    ILE  47           H        ILE  47  18.224  22.280  -9.916
  358    HA   ILE  47           HA       ILE  47  15.666  21.445 -10.540
  359    HB   ILE  47           HB       ILE  47  17.020  24.167 -10.750
  360   HG12  ILE  47          HG12      ILE  47  15.324  23.183  -8.418
  361   HG13  ILE  47          HG13      ILE  47  17.062  22.948  -8.438
  362   HG21  ILE  47          HG21      ILE  47  14.800  25.154 -10.520
  363   HG22  ILE  47          HG22      ILE  47  14.950  24.197 -11.980
  364   HG23  ILE  47          HG23      ILE  47  14.084  23.522 -10.587
  365   HD11  ILE  47          HD11      ILE  47  16.588  24.930  -7.176
  366   HD12  ILE  47          HD12      ILE  47  17.427  25.387  -8.688
  367   HD13  ILE  47          HD13      ILE  47  15.686  25.653  -8.510
  368    H    ALA  48           H        ALA  48  18.316  22.831 -12.517
  369    HA   ALA  48           HA       ALA  48  16.739  23.522 -14.743
  370    HB1  ALA  48           HB1      ALA  48  18.896  23.961 -15.819
  371    HB2  ALA  48           HB2      ALA  48  18.931  24.570 -14.145
  372    HB3  ALA  48           HB3      ALA  48  19.746  23.051 -14.555
  373    H    MET  49           H        MET  49  18.769  20.739 -13.910
  374    HA   MET  49           HA       MET  49  18.592  19.399 -16.380
  375    HB2  MET  49           HB2      MET  49  18.827  17.967 -13.754
  376    HB3  MET  49           HB3      MET  49  19.624  17.633 -15.312
  377    HG2  MET  49           HG2      MET  49  20.311  19.522 -13.130
  378    HG3  MET  49           HG3      MET  49  21.288  18.351 -13.957
  379    HE1  MET  49           HE1      MET  49  20.661  19.364 -17.076
  380    HE2  MET  49           HE2      MET  49  22.024  20.474 -17.350
  381    HE3  MET  49           HE3      MET  49  22.311  18.917 -16.556
  382    H    MET  50           H        MET  50  16.577  19.173 -13.440
  383    HA   MET  50           HA       MET  50  14.801  17.139 -14.463
  384    HB2  MET  50           HB2      MET  50  14.540  19.158 -12.185
  385    HB3  MET  50           HB3      MET  50  13.359  17.900 -12.559
  386    HG2  MET  50           HG2      MET  50  15.675  16.410 -12.556
  387    HG3  MET  50           HG3      MET  50  16.106  17.658 -11.411
  388    HE1  MET  50           HE1      MET  50  13.306  15.610 -12.644
  389    HE2  MET  50           HE2      MET  50  13.612  14.213 -11.583
  390    HE3  MET  50           HE3      MET  50  12.265  15.306 -11.234
  391    H    GLU  51           H        GLU  51  14.829  20.736 -14.533
  392    HA   GLU  51           HA       GLU  51  12.322  21.034 -15.826
  393    HB2  GLU  51           HB2      GLU  51  14.860  22.641 -15.665
  394    HB3  GLU  51           HB3      GLU  51  13.600  23.132 -16.795
  395    HG2  GLU  51           HG2      GLU  51  11.952  23.144 -14.900
  396    HG3  GLU  51           HG3      GLU  51  13.277  22.863 -13.775
  397    H    GLU  52           H        GLU  52  15.442  19.935 -17.114
  398    HA   GLU  52           HA       GLU  52  14.723  20.280 -19.858
  399    HB2  GLU  52           HB2      GLU  52  16.487  18.064 -18.774
  400    HB3  GLU  52           HB3      GLU  52  16.402  18.643 -20.429
  401    HG2  GLU  52           HG2      GLU  52  17.056  20.990 -19.394
  402    HG3  GLU  52           HG3      GLU  52  17.620  20.004 -18.047
  403    H    VAL  53           H        VAL  53  14.178  17.737 -17.440
  404    HA   VAL  53           HA       VAL  53  12.845  16.012 -19.448
  405    HB   VAL  53           HB       VAL  53  13.069  15.774 -16.438
  406   HG11  VAL  53          HG11      VAL  53  12.389  13.388 -16.782
  407   HG12  VAL  53          HG12      VAL  53  11.088  14.507 -17.176
  408   HG13  VAL  53          HG13      VAL  53  12.026  13.755 -18.483
  409   HG21  VAL  53          HG21      VAL  53  15.225  15.555 -17.665
  410   HG22  VAL  53          HG22      VAL  53  14.723  13.980 -17.036
  411   HG23  VAL  53          HG23      VAL  53  14.500  14.361 -18.749
  412    H    GLY  54           H        GLY  54  11.908  18.574 -17.258
  413    HA2  GLY  54           HA2      GLY  54   9.919  19.847 -17.776
  414    HA3  GLY  54           HA3      GLY  54   9.065  18.353 -18.183
  415    H    ILE  55           H        ILE  55  11.229  18.629 -15.395
  416    HA   ILE  55           HA       ILE  55   8.908  18.556 -13.505
  417    HB   ILE  55           HB       ILE  55  11.436  16.886 -13.365
  418   HG12  ILE  55          HG12      ILE  55   8.691  15.646 -13.667
  419   HG13  ILE  55          HG13      ILE  55   9.505  16.201 -15.114
  420   HG21  ILE  55          HG21      ILE  55  10.737  17.169 -11.093
  421   HG22  ILE  55          HG22      ILE  55   9.007  17.038 -11.528
  422   HG23  ILE  55          HG23      ILE  55  10.056  15.627 -11.553
  423   HD11  ILE  55          HD11      ILE  55  11.485  14.913 -14.623
  424   HD12  ILE  55          HD12      ILE  55  10.707  14.210 -13.180
  425   HD13  ILE  55          HD13      ILE  55  10.044  13.888 -14.797
  426    H    ASP  56           H        ASP  56  10.096  18.950 -11.129
  427    HA   ASP  56           HA       ASP  56  12.051  21.164 -11.322
  428    HB2  ASP  56           HB2      ASP  56   9.923  22.324 -11.475
  429    HB3  ASP  56           HB3      ASP  56   9.229  21.325 -10.186
  430    H    ILE  57           H        ILE  57  13.031  21.564  -9.267
  431    HA   ILE  57           HA       ILE  57  12.279  19.790  -7.044
  432    HB   ILE  57           HB       ILE  57  15.132  20.409  -7.093
  433   HG12  ILE  57          HG12      ILE  57  14.143  18.254  -8.993
  434   HG13  ILE  57          HG13      ILE  57  14.958  19.732  -9.486
  435   HG21  ILE  57          HG21      ILE  57  15.230  18.147  -6.104
  436   HG22  ILE  57          HG22      ILE  57  13.998  19.115  -5.352
  437   HG23  ILE  57          HG23      ILE  57  13.539  17.880  -6.569
  438   HD11  ILE  57          HD11      ILE  57  16.102  17.363  -8.047
  439   HD12  ILE  57          HD12      ILE  57  16.736  18.284  -9.430
  440   HD13  ILE  57          HD13      ILE  57  16.825  18.960  -7.785
  441    H    SER  58           H        SER  58  13.132  22.994  -8.110
  442    HA   SER  58           HA       SER  58  13.826  24.390  -5.888
  443    HB2  SER  58           HB2      SER  58  11.447  25.345  -7.482
  444    HB3  SER  58           HB3      SER  58  12.827  26.264  -6.862
  445    HG   SER  58           HG       SER  58  12.581  24.534  -9.073
  446    H    GLY  59           H        GLY  59  10.573  23.025  -6.549
  447    HA2  GLY  59           HA2      GLY  59   9.213  24.385  -4.442
  448    HA3  GLY  59           HA3      GLY  59   8.617  23.037  -5.418
  449    H    GLN  60           H        GLN  60  11.363  21.710  -4.152
  450    HA   GLN  60           HA       GLN  60  10.119  20.922  -1.608
  451    HB2  GLN  60           HB2      GLN  60  10.789  18.641  -2.001
  452    HB3  GLN  60           HB3      GLN  60   9.760  19.238  -3.321
  453    HG2  GLN  60           HG2      GLN  60  11.715  19.480  -4.772
  454    HG3  GLN  60           HG3      GLN  60  12.779  18.965  -3.458
  455   HE21  GLN  60          HE22      GLN  60  13.571  17.022  -4.160
  456   HE22  GLN  60          HE21      GLN  60  12.589  15.694  -4.756
  457    H    THR  61           H        THR  61  11.757  19.869  -0.120
  458    HA   THR  61           HA       THR  61  14.328  21.353  -0.197
  459    HB   THR  61           HB       THR  61  13.937  21.444   2.325
  460    HG1  THR  61           HG1      THR  61  12.309  19.960   2.634
  461   HG21  THR  61          HG21      THR  61  12.407  23.345   2.168
  462   HG22  THR  61          HG22      THR  61  13.541  23.355   0.804
  463   HG23  THR  61          HG23      THR  61  11.862  22.803   0.560
  464    H    SER  62           H        SER  62  15.912  20.458   1.459
  465    HA   SER  62           HA       SER  62  16.201  17.561   1.035
  466    HB2  SER  62           HB2      SER  62  18.543  18.154   1.888
  467    HB3  SER  62           HB3      SER  62  18.052  18.776   0.303
  468    HG   SER  62           HG       SER  62  19.110  20.250   1.683
  469    H    ASP  63           H        ASP  63  17.046  16.238   2.786
  470    HA   ASP  63           HA       ASP  63  16.106  16.971   5.500
  471    HB2  ASP  63           HB2      ASP  63  14.303  15.872   3.671
  472    HB3  ASP  63           HB3      ASP  63  14.903  14.442   4.489
  473    HA   PRO  64           HA       PRO  64  19.396  13.910   6.098
  474    HB2  PRO  64           HB2      PRO  64  19.520  13.779   8.812
  475    HB3  PRO  64           HB3      PRO  64  20.032  15.231   7.905
  476    HG2  PRO  64           HG2      PRO  64  17.368  14.729   9.271
  477    HG3  PRO  64           HG3      PRO  64  18.416  16.177   9.391
  478    HD2  PRO  64           HD2      PRO  64  16.282  16.037   7.679
  479    HD3  PRO  64           HD3      PRO  64  17.765  16.941   7.267
  480    H    ILE  65           H        ILE  65  19.622  11.735   6.561
  481    HA   ILE  65           HA       ILE  65  17.473   9.927   6.536
  482    HB   ILE  65           HB       ILE  65  19.768   9.428   5.927
  483   HG12  ILE  65          HG12      ILE  65  18.838   7.500   8.085
  484   HG13  ILE  65          HG13      ILE  65  18.026   7.694   6.520
  485   HG21  ILE  65          HG21      ILE  65  20.452   9.216   8.898
  486   HG22  ILE  65          HG22      ILE  65  21.527   8.925   7.525
  487   HG23  ILE  65          HG23      ILE  65  20.968  10.555   7.851
  488   HD11  ILE  65          HD11      ILE  65  20.929   6.849   6.900
  489   HD12  ILE  65          HD12      ILE  65  19.571   5.840   6.368
  490   HD13  ILE  65          HD13      ILE  65  20.112   7.177   5.351
  491    H    GLU  66           H        GLU  66  19.095  11.423   9.280
  492    HA   GLU  66           HA       GLU  66  18.257   9.891  11.395
  493    HB2  GLU  66           HB2      GLU  66  18.521  12.928  11.426
  494    HB3  GLU  66           HB3      GLU  66  18.779  11.810  12.768
  495    HG2  GLU  66           HG2      GLU  66  20.716  10.822  11.399
  496    HG3  GLU  66           HG3      GLU  66  20.531  12.189  10.292
  497    H    ASN  67           H        ASN  67  16.263  12.052   9.488
  498    HA   ASN  67           HA       ASN  67  14.300  12.531  11.596
  499    HB2  ASN  67           HB2      ASN  67  14.987  14.204   9.840
  500    HB3  ASN  67           HB3      ASN  67  14.215  13.178   8.634
  501   HD21  ASN  67          HD22      ASN  67  12.843  14.936   8.095
  502   HD22  ASN  67          HD21      ASN  67  11.446  15.353   9.093
  503    H    PHE  68           H        PHE  68  14.840   9.833   9.494
  504    HA   PHE  68           HA       PHE  68  11.967   9.062   9.656
  505    HB2  PHE  68           HB2      PHE  68  13.978   8.675   7.409
  506    HB3  PHE  68           HB3      PHE  68  12.381   7.926   7.497
  507    HD1  PHE  68           HD2      PHE  68  14.180  11.117   6.958
  508    HD2  PHE  68           HD1      PHE  68  10.361   9.120   7.067
  509    HE1  PHE  68           HE2      PHE  68  13.110  13.101   5.929
  510    HE2  PHE  68           HE1      PHE  68   9.276  11.144   6.095
  511    HZ   PHE  68           HZ       PHE  68  10.653  13.142   5.531
  512    H    ASN  69           H        ASN  69  11.989   6.605   8.886
  513    HA   ASN  69           HA       ASN  69  13.914   5.011  10.464
  514    HB2  ASN  69           HB2      ASN  69  11.824   3.601  11.110
  515    HB3  ASN  69           HB3      ASN  69  12.232   5.033  12.051
  516   HD21  ASN  69          HD22      ASN  69  10.461   4.897   8.869
  517   HD22  ASN  69          HD21      ASN  69   8.996   5.609   9.521
  518    H    ALA  70           H        ALA  70  14.541   3.301   9.383
  519    HA   ALA  70           HA       ALA  70  14.037   2.925   6.661
  520    HB1  ALA  70           HB1      ALA  70  16.076   2.124   7.941
  521    HB2  ALA  70           HB2      ALA  70  15.081   0.861   8.692
  522    HB3  ALA  70           HB3      ALA  70  15.359   0.848   6.939
  523    H    ASP  71           H        ASP  71  12.356   1.500   9.406
  524    HA   ASP  71           HA       ASP  71  11.320  -0.804   8.195
  525    HB2  ASP  71           HB2      ASP  71  11.317  -0.364  10.613
  526    HB3  ASP  71           HB3      ASP  71  10.158   0.949  10.392
  527    H    ASP  72           H        ASP  72  10.430   2.516   7.599
  528    HA   ASP  72           HA       ASP  72   7.708   1.861   6.776
  529    HB2  ASP  72           HB2      ASP  72   8.236   3.933   8.027
  530    HB3  ASP  72           HB3      ASP  72   9.224   4.488   6.667
  531    H    TYR  73           H        TYR  73  10.883   1.837   5.358
  532    HA   TYR  73           HA       TYR  73   9.857   2.462   2.710
  533    HB2  TYR  73           HB2      TYR  73  12.635   2.595   3.893
  534    HB3  TYR  73           HB3      TYR  73  12.265   2.861   2.186
  535    HD1  TYR  73           HD2      TYR  73  10.761   4.760   1.496
  536    HD2  TYR  73           HD1      TYR  73  12.182   4.333   5.541
  537    HE1  TYR  73           HE2      TYR  73  10.021   7.054   1.987
  538    HE2  TYR  73           HE1      TYR  73  11.531   6.677   6.044
  539    HH   TYR  73           HH       TYR  73   9.916   8.730   3.529
  540    H    ASP  74           H        ASP  74   9.711   0.859   1.211
  541    HA   ASP  74           HA       ASP  74  10.323  -1.884   2.014
  542    HB2  ASP  74           HB2      ASP  74   8.312  -1.374   0.682
  543    HB3  ASP  74           HB3      ASP  74   9.317  -0.680  -0.595
  544    H    VAL  75           H        VAL  75  11.549   0.632  -0.183
  545    HA   VAL  75           HA       VAL  75  13.895  -1.097  -0.820
  546    HB   VAL  75           HB       VAL  75  12.558  -1.361  -2.635
  547   HG11  VAL  75          HG11      VAL  75  10.791   0.320  -2.297
  548   HG12  VAL  75          HG12      VAL  75  11.883   1.497  -3.067
  549   HG13  VAL  75          HG13      VAL  75  11.325   0.095  -3.960
  550   HG21  VAL  75          HG21      VAL  75  13.750  -0.450  -4.491
  551   HG22  VAL  75          HG22      VAL  75  14.207   1.006  -3.581
  552   HG23  VAL  75          HG23      VAL  75  14.924  -0.551  -3.168
  553    H    VAL  76           H        VAL  76  15.825  -0.218  -0.674
  554    HA   VAL  76           HA       VAL  76  15.961   2.752  -0.243
  555    HB   VAL  76           HB       VAL  76  17.507   0.592   1.182
  556   HG11  VAL  76          HG11      VAL  76  17.646   3.568   1.714
  557   HG12  VAL  76          HG12      VAL  76  18.574   2.252   2.487
  558   HG13  VAL  76          HG13      VAL  76  18.874   2.641   0.814
  559   HG21  VAL  76          HG21      VAL  76  15.368   2.469   2.254
  560   HG22  VAL  76          HG22      VAL  76  15.218   0.715   2.046
  561   HG23  VAL  76          HG23      VAL  76  16.355   1.361   3.223
  562    H    ILE  77           H        ILE  77  17.092   3.753  -1.676
  563    HA   ILE  77           HA       ILE  77  19.195   2.359  -3.234
  564    HB   ILE  77           HB       ILE  77  17.378   4.711  -3.896
  565   HG12  ILE  77          HG12      ILE  77  16.108   2.692  -4.113
  566   HG13  ILE  77          HG13      ILE  77  16.547   3.263  -5.717
  567   HG21  ILE  77          HG21      ILE  77  19.619   3.465  -5.521
  568   HG22  ILE  77          HG22      ILE  77  18.426   4.651  -6.123
  569   HG23  ILE  77          HG23      ILE  77  19.564   5.107  -4.871
  570   HD11  ILE  77          HD11      ILE  77  16.741   0.810  -5.538
  571   HD12  ILE  77          HD12      ILE  77  18.310   1.560  -5.883
  572   HD13  ILE  77          HD13      ILE  77  17.951   0.983  -4.249
  573    H    SER  78           H        SER  78  20.976   2.726  -2.123
  574    HA   SER  78           HA       SER  78  21.490   5.415  -1.006
  575    HB2  SER  78           HB2      SER  78  23.155   2.896  -1.124
  576    HB3  SER  78           HB3      SER  78  23.794   4.495  -0.640
  577    HG   SER  78           HG       SER  78  23.074   3.328   1.155
  578    H    LEU  79           H        LEU  79  23.146   6.682  -1.945
  579    HA   LEU  79           HA       LEU  79  24.349   6.073  -4.486
  580    HB2  LEU  79           HB2      LEU  79  23.288   8.551  -5.179
  581    HB3  LEU  79           HB3      LEU  79  22.943   7.005  -5.855
  582    HG   LEU  79           HG       LEU  79  20.975   6.859  -4.083
  583   HD11  LEU  79          HD11      LEU  79  21.880   8.850  -2.870
  584   HD12  LEU  79          HD12      LEU  79  21.359   9.845  -4.222
  585   HD13  LEU  79          HD13      LEU  79  20.162   8.927  -3.283
  586   HD21  LEU  79          HD21      LEU  79  20.572   7.020  -6.463
  587   HD22  LEU  79          HD22      LEU  79  19.495   8.126  -5.602
  588   HD23  LEU  79          HD23      LEU  79  20.911   8.762  -6.461
  589    H    CYS  80           H        CYS  80  25.587   6.035  -2.352
  590    HA   CYS  80           HA       CYS  80  26.560   8.686  -1.432
  591    HB2  CYS  80           HB2      CYS  80  27.311   5.822  -0.691
  592    HB3  CYS  80           HB3      CYS  80  27.971   7.286   0.069
  593    HG   CYS  80           HG       CYS  80  25.816   8.207   1.062
  594    H    GLY  81           H        GLY  81  27.604   5.874  -3.385
  595    HA2  GLY  81           HA2      GLY  81  29.025   6.078  -5.294
  596    HA3  GLY  81           HA3      GLY  81  29.745   7.550  -4.632
  597    H    CYS  82           H        CYS  82  31.559   5.799  -5.383
  598    HA   CYS  82           HA       CYS  82  32.945   4.040  -5.040
  599    HB2  CYS  82           HB2      CYS  82  33.216   5.976  -2.748
  600    HB3  CYS  82           HB3      CYS  82  34.472   4.768  -3.138
  601    HG   CYS  82           HG       CYS  82  35.204   7.126  -4.029
  602    H    GLY  83           H        GLY  83  30.388   3.184  -4.118
  603    HA2  GLY  83           HA2      GLY  83  29.383   1.535  -3.018
  604    HA3  GLY  83           HA3      GLY  83  30.978   0.765  -2.820
  605    H    VAL  84           H        VAL  84  30.273   3.934  -1.414
  606    HA   VAL  84           HA       VAL  84  30.624   3.091   1.298
  607    HB   VAL  84           HB       VAL  84  29.614   5.617   0.044
  608   HG11  VAL  84          HG11      VAL  84  28.692   5.521   2.312
  609   HG12  VAL  84          HG12      VAL  84  30.296   5.116   2.969
  610   HG13  VAL  84          HG13      VAL  84  29.989   6.709   2.252
  611   HG21  VAL  84          HG21      VAL  84  32.297   4.962   1.331
  612   HG22  VAL  84          HG22      VAL  84  32.007   5.165  -0.408
  613   HG23  VAL  84          HG23      VAL  84  31.822   6.543   0.674
  614    H    ASN  85           H        ASN  85  28.974   2.859   2.835
  615    HA   ASN  85           HA       ASN  85  26.224   2.354   1.831
  616    HB2  ASN  85           HB2      ASN  85  28.013   0.326   1.785
  617    HB3  ASN  85           HB3      ASN  85  27.526   0.192   3.470
  618   HD21  ASN  85          HD22      ASN  85  26.934  -1.246   0.653
  619   HD22  ASN  85          HD21      ASN  85  25.202  -1.500   0.751
  620    H    LEU  86           H        LEU  86  24.989   1.332   3.862
  621    HA   LEU  86           HA       LEU  86  25.167   3.430   5.982
  622    HB2  LEU  86           HB2      LEU  86  22.745   1.936   4.915
  623    HB3  LEU  86           HB3      LEU  86  22.758   3.266   6.066
  624    HG   LEU  86           HG       LEU  86  23.472   3.412   3.091
  625   HD11  LEU  86          HD11      LEU  86  21.427   4.724   2.927
  626   HD12  LEU  86          HD12      LEU  86  21.081   3.132   3.594
  627   HD13  LEU  86          HD13      LEU  86  21.127   4.549   4.673
  628   HD21  LEU  86          HD21      LEU  86  23.574   5.862   3.406
  629   HD22  LEU  86          HD22      LEU  86  23.450   5.646   5.169
  630   HD23  LEU  86          HD23      LEU  86  24.863   5.031   4.271
  631    HA   PRO  87           HA       PRO  87  25.898  -0.321   8.505
  632    HB2  PRO  87           HB2      PRO  87  25.672   1.824  10.613
  633    HB3  PRO  87           HB3      PRO  87  26.799   0.440  10.521
  634    HG2  PRO  87           HG2      PRO  87  27.621   2.931   9.819
  635    HG3  PRO  87           HG3      PRO  87  28.105   1.509   8.839
  636    HD2  PRO  87           HD2      PRO  87  25.913   3.515   8.283
  637    HD3  PRO  87           HD3      PRO  87  27.104   2.793   7.159
  638    HA   PRO  88           HA       PRO  88  21.867   0.357  10.941
  639    HB2  PRO  88           HB2      PRO  88  20.059   2.354  10.358
  640    HB3  PRO  88           HB3      PRO  88  21.475   2.577  11.420
  641    HG2  PRO  88           HG2      PRO  88  21.320   3.181   8.437
  642    HG3  PRO  88           HG3      PRO  88  21.816   4.289   9.764
  643    HD2  PRO  88           HD2      PRO  88  23.548   2.957   8.281
  644    HD3  PRO  88           HD3      PRO  88  23.823   3.092  10.046
  645    H    GLU  89           H        GLU  89  19.394   0.230  10.550
  646    HA   GLU  89           HA       GLU  89  18.829  -2.005   9.085
  647    HB2  GLU  89           HB2      GLU  89  17.046   0.263  10.080
  648    HB3  GLU  89           HB3      GLU  89  16.404  -1.225   9.405
  649    HG2  GLU  89           HG2      GLU  89  16.302  -1.340  11.757
  650    HG3  GLU  89           HG3      GLU  89  17.419  -2.561  11.140
  651    H    TRP  90           H        TRP  90  19.071   1.164   7.748
  652    HA   TRP  90           HA       TRP  90  17.240   1.028   5.594
  653    HB2  TRP  90           HB2      TRP  90  19.937   2.402   5.878
  654    HB3  TRP  90           HB3      TRP  90  18.749   2.742   4.627
  655    HD1  TRP  90           HD1      TRP  90  19.326   3.278   8.361
  656    HE1  TRP  90           HE1      TRP  90  17.871   5.132   9.202
  657    HE3  TRP  90           HE3      TRP  90  16.290   3.647   4.304
  658    HZ2  TRP  90           HZ2      TRP  90  15.484   6.578   8.251
  659    HZ3  TRP  90           HZ3      TRP  90  14.340   5.169   4.345
  660    HH2  TRP  90           HH2      TRP  90  13.941   6.646   6.286
  661    H    VAL  91           H        VAL  91  20.279  -0.759   6.135
  662    HA   VAL  91           HA       VAL  91  20.488  -1.209   3.258
  663    HB   VAL  91           HB       VAL  91  22.470  -0.701   4.652
  664   HG11  VAL  91          HG11      VAL  91  23.538  -2.337   6.054
  665   HG12  VAL  91          HG12      VAL  91  21.895  -2.141   6.659
  666   HG13  VAL  91          HG13      VAL  91  22.318  -3.563   5.677
  667   HG21  VAL  91          HG21      VAL  91  22.726  -1.758   2.459
  668   HG22  VAL  91          HG22      VAL  91  23.994  -2.258   3.586
  669   HG23  VAL  91          HG23      VAL  91  22.667  -3.368   3.207
  670    H    THR  92           H        THR  92  18.727  -2.540   5.867
  671    HA   THR  92           HA       THR  92  18.817  -5.242   4.726
  672    HB   THR  92           HB       THR  92  18.187  -5.977   7.043
  673    HG1  THR  92           HG1      THR  92  17.311  -4.085   7.861
  674   HG21  THR  92          HG21      THR  92  20.358  -5.747   8.006
  675   HG22  THR  92          HG22      THR  92  20.602  -5.831   6.252
  676   HG23  THR  92          HG23      THR  92  20.690  -4.263   7.096
  677    H    GLN  93           H        GLN  93  17.103  -3.037   3.836
  678    HA   GLN  93           HA       GLN  93  14.372  -4.029   4.421
  679    HB2  GLN  93           HB2      GLN  93  15.277  -1.761   2.597
  680    HB3  GLN  93           HB3      GLN  93  13.613  -2.181   3.015
  681    HG2  GLN  93           HG2      GLN  93  15.745  -1.062   4.859
  682    HG3  GLN  93           HG3      GLN  93  14.248  -0.294   4.372
  683   HE21  GLN  93          HE22      GLN  93  15.668  -1.718   6.975
  684   HE22  GLN  93          HE21      GLN  93  14.257  -2.382   7.780
  685    H    GLU  94           H        GLU  94  13.020  -4.191   2.217
  686    HA   GLU  94           HA       GLU  94  13.725  -6.666   1.286
  687    HB2  GLU  94           HB2      GLU  94  11.463  -5.251   1.371
  688    HB3  GLU  94           HB3      GLU  94  11.881  -4.902  -0.321
  689    HG2  GLU  94           HG2      GLU  94  12.017  -7.337  -0.762
  690    HG3  GLU  94           HG3      GLU  94  11.746  -7.651   0.957
  691    H    ILE  95           H        ILE  95  14.489  -3.549  -0.191
  692    HA   ILE  95           HA       ILE  95  16.157  -4.979  -2.224
  693    HB   ILE  95           HB       ILE  95  14.271  -2.699  -2.647
  694   HG12  ILE  95          HG12      ILE  95  14.386  -5.577  -3.617
  695   HG13  ILE  95          HG13      ILE  95  13.083  -4.760  -2.743
  696   HG21  ILE  95          HG21      ILE  95  15.148  -2.593  -4.986
  697   HG22  ILE  95          HG22      ILE  95  16.451  -2.293  -3.863
  698   HG23  ILE  95          HG23      ILE  95  16.302  -3.894  -4.619
  699   HD11  ILE  95          HD11      ILE  95  12.720  -3.337  -4.790
  700   HD12  ILE  95          HD12      ILE  95  13.882  -4.410  -5.627
  701   HD13  ILE  95          HD13      ILE  95  12.372  -5.076  -4.983
  702    H    PHE  96           H        PHE  96  18.212  -3.992  -2.409
  703    HA   PHE  96           HA       PHE  96  18.643  -1.347  -1.342
  704    HB2  PHE  96           HB2      PHE  96  19.252  -2.677   0.602
  705    HB3  PHE  96           HB3      PHE  96  20.258  -3.736  -0.396
  706    HD1  PHE  96           HD1      PHE  96  19.919  -0.309   1.008
  707    HD2  PHE  96           HD2      PHE  96  22.436  -2.965  -1.284
  708    HE1  PHE  96           HE1      PHE  96  21.733   1.376   1.019
  709    HE2  PHE  96           HE2      PHE  96  24.198  -1.208  -1.372
  710    HZ   PHE  96           HZ       PHE  96  23.870   0.929  -0.157
  711    H    GLU  97           H        GLU  97  20.052  -0.277  -2.641
  712    HA   GLU  97           HA       GLU  97  22.130  -1.667  -4.152
  713    HB2  GLU  97           HB2      GLU  97  19.976   0.063  -5.448
  714    HB3  GLU  97           HB3      GLU  97  21.592  -0.096  -6.135
  715    HG2  GLU  97           HG2      GLU  97  21.333  -2.535  -6.229
  716    HG3  GLU  97           HG3      GLU  97  19.631  -2.368  -5.735
  717    H    ASP  98           H        ASP  98  23.754  -0.133  -4.758
  718    HA   ASP  98           HA       ASP  98  23.535   2.578  -3.633
  719    HB2  ASP  98           HB2      ASP  98  25.139   1.506  -2.197
  720    HB3  ASP  98           HB3      ASP  98  26.076   0.960  -3.596
  721    H    TRP  99           H        TRP  99  23.090   3.724  -5.428
  722    HA   TRP  99           HA       TRP  99  24.118   3.015  -8.076
  723    HB2  TRP  99           HB2      TRP  99  22.476   5.375  -7.111
  724    HB3  TRP  99           HB3      TRP  99  22.899   5.046  -8.769
  725    HD1  TRP  99           HD1      TRP  99  22.010   1.732  -7.461
  726    HE1  TRP  99           HE1      TRP  99  19.591   1.124  -7.951
  727    HE3  TRP  99           HE3      TRP  99  20.330   6.382  -8.719
  728    HZ2  TRP  99           HZ2      TRP  99  17.078   2.595  -8.528
  729    HZ3  TRP  99           HZ3      TRP  99  17.923   6.775  -9.142
  730    HH2  TRP  99           HH2      TRP  99  16.323   4.907  -9.013
  731    H    GLN 100           H        GLN 100  26.309   3.154  -8.024
  732    HA   GLN 100           HA       GLN 100  27.826   5.402  -7.160
  733    HB2  GLN 100           HB2      GLN 100  28.639   3.069  -7.721
  734    HB3  GLN 100           HB3      GLN 100  28.452   3.460  -9.433
  735    HG2  GLN 100           HG2      GLN 100  30.087   5.319  -9.182
  736    HG3  GLN 100           HG3      GLN 100  30.225   4.971  -7.453
  737   HE21  GLN 100          HE22      GLN 100  30.755   2.456  -7.014
  738   HE22  GLN 100          HE21      GLN 100  32.057   1.836  -7.993
  739    H    LEU 101           H        LEU 101  27.790   7.424  -7.977
  740    HA   LEU 101           HA       LEU 101  27.012   8.084 -10.743
  741    HB2  LEU 101           HB2      LEU 101  25.449   8.688  -8.207
  742    HB3  LEU 101           HB3      LEU 101  25.336   9.744  -9.609
  743    HG   LEU 101           HG       LEU 101  24.539   6.788  -9.650
  744   HD11  LEU 101          HD11      LEU 101  23.161   7.966  -8.073
  745   HD12  LEU 101          HD12      LEU 101  22.886   9.284  -9.225
  746   HD13  LEU 101          HD13      LEU 101  22.238   7.650  -9.546
  747   HD21  LEU 101          HD21      LEU 101  23.337   7.373 -11.688
  748   HD22  LEU 101          HD22      LEU 101  24.047   9.000 -11.663
  749   HD23  LEU 101          HD23      LEU 101  25.081   7.575 -11.871
  750    H    GLU 102           H        GLU 102  27.711  10.197 -11.221
  751    HA   GLU 102           HA       GLU 102  29.843  11.133  -9.539
  752    HB2  GLU 102           HB2      GLU 102  28.965  11.884 -12.357
  753    HB3  GLU 102           HB3      GLU 102  30.351  12.610 -11.529
  754    HG2  GLU 102           HG2      GLU 102  31.364  10.349 -11.258
  755    HG3  GLU 102           HG3      GLU 102  30.027   9.649 -12.173
  756    H    ASP 103           H        ASP 103  28.486  11.704  -7.862
  757    HA   ASP 103           HA       ASP 103  26.535  13.260  -7.293
  758    HB2  ASP 103           HB2      ASP 103  28.275  12.461  -5.762
  759    HB3  ASP 103           HB3      ASP 103  29.206  13.919  -6.038
  760    HA   PRO 104           HA       PRO 104  27.233  16.691 -10.074
  761    HB2  PRO 104           HB2      PRO 104  24.420  17.327  -9.264
  762    HB3  PRO 104           HB3      PRO 104  25.208  17.329 -10.890
  763    HG2  PRO 104           HG2      PRO 104  23.672  15.233 -10.089
  764    HG3  PRO 104           HG3      PRO 104  25.184  15.005 -11.035
  765    HD2  PRO 104           HD2      PRO 104  24.738  14.602  -8.082
  766    HD3  PRO 104           HD3      PRO 104  25.753  13.672  -9.243
  767    H    ASP 105           H        ASP 105  27.047  17.006  -6.722
  768    HA   ASP 105           HA       ASP 105  26.650  19.771  -6.291
  769    HB2  ASP 105           HB2      ASP 105  26.812  18.206  -4.485
  770    HB3  ASP 105           HB3      ASP 105  28.486  17.812  -4.882
  771    H    GLY 106           H        GLY 106  27.453  21.083  -7.790
  772    HA2  GLY 106           HA2      GLY 106  28.897  22.850  -8.174
  773    HA3  GLY 106           HA3      GLY 106  30.204  21.984  -7.355
  774    H    GLN 107           H        GLN 107  28.431  20.271  -9.895
  775    HA   GLN 107           HA       GLN 107  30.988  20.098 -11.343
  776    HB2  GLN 107           HB2      GLN 107  28.456  18.512 -11.801
  777    HB3  GLN 107           HB3      GLN 107  30.099  18.096 -12.300
  778    HG2  GLN 107           HG2      GLN 107  29.167  18.264  -9.416
  779    HG3  GLN 107           HG3      GLN 107  29.224  16.805 -10.414
  780   HE21  GLN 107          HE22      GLN 107  30.396  16.131  -8.471
  781   HE22  GLN 107          HE21      GLN 107  32.156  16.272  -8.509
  782    H    SER 108           H        SER 108  30.597  19.472 -13.776
  783    HA   SER 108           HA       SER 108  29.742  21.854 -15.199
  784    HB2  SER 108           HB2      SER 108  30.770  19.115 -16.063
  785    HB3  SER 108           HB3      SER 108  30.645  20.546 -17.116
  786    HG   SER 108           HG       SER 108  32.765  20.262 -16.284
  787    H    LEU 109           H        LEU 109  28.081  21.822 -16.879
  788    HA   LEU 109           HA       LEU 109  25.689  20.523 -16.197
  789    HB2  LEU 109           HB2      LEU 109  26.548  21.564 -18.921
  790    HB3  LEU 109           HB3      LEU 109  24.901  21.089 -18.499
  791    HG   LEU 109           HG       LEU 109  26.453  23.344 -17.166
  792   HD11  LEU 109          HD11      LEU 109  24.911  24.836 -18.386
  793   HD12  LEU 109          HD12      LEU 109  25.852  23.845 -19.509
  794   HD13  LEU 109          HD13      LEU 109  24.156  23.432 -19.174
  795   HD21  LEU 109          HD21      LEU 109  23.545  22.466 -16.837
  796   HD22  LEU 109          HD22      LEU 109  24.814  22.426 -15.593
  797   HD23  LEU 109          HD23      LEU 109  24.233  23.974 -16.198
  798    H    GLU 110           H        GLU 110  28.264  19.406 -18.373
  799    HA   GLU 110           HA       GLU 110  26.868  17.231 -19.499
  800    HB2  GLU 110           HB2      GLU 110  29.016  18.160 -20.287
  801    HB3  GLU 110           HB3      GLU 110  29.836  17.504 -18.863
  802    HG2  GLU 110           HG2      GLU 110  29.251  15.201 -19.572
  803    HG3  GLU 110           HG3      GLU 110  28.345  15.839 -20.946
  804    H    VAL 111           H        VAL 111  28.623  17.486 -16.367
  805    HA   VAL 111           HA       VAL 111  28.430  14.673 -15.703
  806    HB   VAL 111           HB       VAL 111  28.813  17.126 -13.976
  807   HG11  VAL 111          HG11      VAL 111  29.107  14.175 -13.313
  808   HG12  VAL 111          HG12      VAL 111  29.772  15.477 -12.312
  809   HG13  VAL 111          HG13      VAL 111  28.025  15.357 -12.540
  810   HG21  VAL 111          HG21      VAL 111  30.845  15.126 -15.070
  811   HG22  VAL 111          HG22      VAL 111  30.668  16.807 -15.603
  812   HG23  VAL 111          HG23      VAL 111  31.209  16.462 -13.959
  813    H    PHE 112           H        PHE 112  26.562  17.640 -14.926
  814    HA   PHE 112           HA       PHE 112  24.533  16.487 -13.349
  815    HB2  PHE 112           HB2      PHE 112  24.770  18.908 -15.124
  816    HB3  PHE 112           HB3      PHE 112  23.189  18.408 -14.632
  817    HD1  PHE 112           HD2      PHE 112  22.525  18.327 -12.206
  818    HD2  PHE 112           HD1      PHE 112  26.270  19.999 -13.559
  819    HE1  PHE 112           HE2      PHE 112  22.812  19.469 -10.026
  820    HE2  PHE 112           HE1      PHE 112  26.571  21.080 -11.354
  821    HZ   PHE 112           HZ       PHE 112  24.907  20.730  -9.578
  822    H    ARG 113           H        ARG 113  24.485  17.041 -16.928
  823    HA   ARG 113           HA       ARG 113  22.009  15.746 -17.378
  824    HB2  ARG 113           HB2      ARG 113  24.417  16.455 -19.078
  825    HB3  ARG 113           HB3      ARG 113  23.178  15.413 -19.772
  826    HG2  ARG 113           HG2      ARG 113  21.583  17.024 -19.856
  827    HG3  ARG 113           HG3      ARG 113  22.131  17.831 -18.392
  828    HD2  ARG 113           HD2      ARG 113  23.917  18.927 -19.539
  829    HD3  ARG 113           HD3      ARG 113  23.566  18.034 -21.046
  830    HE   ARG 113           HE       ARG 113  21.185  19.318 -20.265
  831   HH11  ARG 113          HH11      ARG 113  24.457  20.328 -21.275
  832   HH12  ARG 113          HH12      ARG 113  23.931  21.815 -21.970
  833   HH21  ARG 113          HH21      ARG 113  20.489  21.194 -21.276
  834   HH22  ARG 113          HH22      ARG 113  21.606  22.352 -21.954
  835    H    THR 114           H        THR 114  25.346  14.312 -17.322
  836    HA   THR 114           HA       THR 114  24.529  11.781 -18.255
  837    HB   THR 114           HB       THR 114  26.819  12.658 -16.428
  838    HG1  THR 114           HG1      THR 114  27.001  13.696 -18.329
  839   HG21  THR 114          HG21      THR 114  27.960  10.642 -17.304
  840   HG22  THR 114          HG22      THR 114  26.543  10.260 -16.312
  841   HG23  THR 114          HG23      THR 114  26.433  10.145 -18.087
  842    H    VAL 115           H        VAL 115  24.996  13.010 -14.856
  843    HA   VAL 115           HA       VAL 115  24.056  10.622 -13.674
  844    HB   VAL 115           HB       VAL 115  24.324  13.437 -12.699
  845   HG11  VAL 115          HG11      VAL 115  22.582  12.519 -11.266
  846   HG12  VAL 115          HG12      VAL 115  23.512  11.030 -11.023
  847   HG13  VAL 115          HG13      VAL 115  24.091  12.560 -10.358
  848   HG21  VAL 115          HG21      VAL 115  25.887  10.873 -12.184
  849   HG22  VAL 115          HG22      VAL 115  26.423  12.253 -13.168
  850   HG23  VAL 115          HG23      VAL 115  26.220  12.445 -11.427
  851    H    ARG 116           H        ARG 116  22.269  13.633 -14.570
  852    HA   ARG 116           HA       ARG 116  19.826  12.937 -13.377
  853    HB2  ARG 116           HB2      ARG 116  20.463  15.136 -14.239
  854    HB3  ARG 116           HB3      ARG 116  20.421  14.576 -15.896
  855    HG2  ARG 116           HG2      ARG 116  18.011  14.377 -14.076
  856    HG3  ARG 116           HG3      ARG 116  18.431  15.911 -14.736
  857    HD2  ARG 116           HD2      ARG 116  17.058  13.682 -16.054
  858    HD3  ARG 116           HD3      ARG 116  16.914  15.435 -16.283
  859    HE   ARG 116           HE       ARG 116  18.588  13.538 -17.751
  860   HH11  ARG 116          HH11      ARG 116  17.809  16.974 -17.256
  861   HH12  ARG 116          HH12      ARG 116  18.937  17.524 -18.467
  862   HH21  ARG 116          HH21      ARG 116  19.892  14.296 -19.497
  863   HH22  ARG 116          HH22      ARG 116  19.905  15.980 -19.880
  864    H    GLY 117           H        GLY 117  21.054  12.136 -16.657
  865    HA2  GLY 117           HA2      GLY 117  18.785  10.623 -17.481
  866    HA3  GLY 117           HA3      GLY 117  20.442  10.473 -18.110
  867    H    GLN 118           H        GLN 118  21.889   9.598 -15.879
  868    HA   GLN 118           HA       GLN 118  21.369   6.828 -15.960
  869    HB2  GLN 118           HB2      GLN 118  23.033   8.563 -14.095
  870    HB3  GLN 118           HB3      GLN 118  23.016   6.806 -13.979
  871    HG2  GLN 118           HG2      GLN 118  23.884   6.562 -16.227
  872    HG3  GLN 118           HG3      GLN 118  23.829   8.298 -16.500
  873   HE21  GLN 118          HE22      GLN 118  26.103   6.098 -16.201
  874   HE22  GLN 118          HE21      GLN 118  27.257   6.922 -15.184
  875    H    VAL 119           H        VAL 119  20.894   9.120 -13.297
  876    HA   VAL 119           HA       VAL 119  19.537   7.598 -11.417
  877    HB   VAL 119           HB       VAL 119  19.234  10.544 -12.196
  878   HG11  VAL 119          HG11      VAL 119  17.201   9.926 -10.998
  879   HG12  VAL 119          HG12      VAL 119  18.153   9.125  -9.737
  880   HG13  VAL 119          HG13      VAL 119  18.253  10.890  -9.956
  881   HG21  VAL 119          HG21      VAL 119  20.568   9.301  -9.750
  882   HG22  VAL 119          HG22      VAL 119  21.477   9.683 -11.221
  883   HG23  VAL 119          HG23      VAL 119  20.682  10.977 -10.312
  884    H    LYS 120           H        LYS 120  17.981   9.512 -14.130
  885    HA   LYS 120           HA       LYS 120  15.372   8.770 -13.343
  886    HB2  LYS 120           HB2      LYS 120  15.791  10.635 -14.853
  887    HB3  LYS 120           HB3      LYS 120  16.490   9.558 -16.071
  888    HG2  LYS 120           HG2      LYS 120  14.324   8.458 -16.407
  889    HG3  LYS 120           HG3      LYS 120  13.589   9.454 -15.131
  890    HD2  LYS 120           HD2      LYS 120  14.040  11.489 -16.436
  891    HD3  LYS 120           HD3      LYS 120  14.835  10.550 -17.702
  892    HE2  LYS 120           HE2      LYS 120  11.916  10.204 -16.862
  893    HE3  LYS 120           HE3      LYS 120  12.451  11.230 -18.196
  894    HZ1  LYS 120           HZ1      LYS 120  12.781   8.275 -18.061
  895    HZ2  LYS 120           HZ2      LYS 120  11.771   9.109 -19.031
  896    HZ3  LYS 120           HZ3      LYS 120  13.378   9.235 -19.258
  897    H    GLU 121           H        GLU 121  17.558   7.251 -15.695
  898    HA   GLU 121           HA       GLU 121  15.846   5.186 -16.559
  899    HB2  GLU 121           HB2      GLU 121  17.695   5.228 -17.905
  900    HB3  GLU 121           HB3      GLU 121  18.678   5.981 -16.644
  901    HG2  GLU 121           HG2      GLU 121  19.350   4.019 -15.682
  902    HG3  GLU 121           HG3      GLU 121  18.255   3.017 -16.668
  903    H    ARG 122           H        ARG 122  18.046   5.406 -13.770
  904    HA   ARG 122           HA       ARG 122  17.653   2.639 -12.988
  905    HB2  ARG 122           HB2      ARG 122  18.919   5.030 -11.625
  906    HB3  ARG 122           HB3      ARG 122  18.757   3.442 -10.855
  907    HG2  ARG 122           HG2      ARG 122  20.193   2.349 -12.244
  908    HG3  ARG 122           HG3      ARG 122  19.975   3.500 -13.551
  909    HD2  ARG 122           HD2      ARG 122  21.246   5.222 -12.191
  910    HD3  ARG 122           HD3      ARG 122  21.511   3.986 -10.958
  911    HE   ARG 122           HE       ARG 122  23.251   3.196 -12.172
  912   HH11  ARG 122          HH11      ARG 122  21.105   4.832 -14.460
  913   HH12  ARG 122          HH12      ARG 122  21.948   4.323 -15.880
  914   HH21  ARG 122          HH21      ARG 122  24.547   2.707 -14.027
  915   HH22  ARG 122          HH22      ARG 122  24.065   3.246 -15.590
  916    H    VAL 123           H        VAL 123  16.163   5.751 -11.700
  917    HA   VAL 123           HA       VAL 123  14.389   4.573  -9.943
  918    HB   VAL 123           HB       VAL 123  13.962   6.913 -11.840
  919   HG11  VAL 123          HG11      VAL 123  11.786   6.115 -10.987
  920   HG12  VAL 123          HG12      VAL 123  12.416   6.124  -9.329
  921   HG13  VAL 123          HG13      VAL 123  12.266   7.640 -10.254
  922   HG21  VAL 123          HG21      VAL 123  14.508   8.306  -9.890
  923   HG22  VAL 123          HG22      VAL 123  14.771   6.865  -8.898
  924   HG23  VAL 123          HG23      VAL 123  15.862   7.237 -10.232
  925    H    GLU 124           H        GLU 124  13.973   4.907 -13.562
  926    HA   GLU 124           HA       GLU 124  11.428   3.676 -13.574
  927    HB2  GLU 124           HB2      GLU 124  13.578   3.812 -15.739
  928    HB3  GLU 124           HB3      GLU 124  11.967   3.138 -16.000
  929    HG2  GLU 124           HG2      GLU 124  10.954   5.315 -15.350
  930    HG3  GLU 124           HG3      GLU 124  12.575   5.994 -15.161
  931    H    ASN 125           H        ASN 125  14.661   2.242 -13.762
  932    HA   ASN 125           HA       ASN 125  13.793  -0.442 -14.198
  933    HB2  ASN 125           HB2      ASN 125  16.343   0.794 -13.157
  934    HB3  ASN 125           HB3      ASN 125  16.072  -0.924 -12.925
  935   HD21  ASN 125          HD22      ASN 125  16.249   1.590 -15.484
  936   HD22  ASN 125          HD21      ASN 125  16.695   0.468 -16.755
  937    H    LEU 126           H        LEU 126  14.436   1.421 -11.221
  938    HA   LEU 126           HA       LEU 126  13.965  -0.784  -9.514
  939    HB2  LEU 126           HB2      LEU 126  14.639   0.469  -7.847
  940    HB3  LEU 126           HB3      LEU 126  15.065   1.614  -9.095
  941    HG   LEU 126           HG       LEU 126  12.632   2.520  -8.738
  942   HD11  LEU 126          HD11      LEU 126  11.709   2.242  -6.507
  943   HD12  LEU 126          HD12      LEU 126  11.989   0.611  -7.141
  944   HD13  LEU 126          HD13      LEU 126  13.117   1.293  -5.985
  945   HD21  LEU 126          HD21      LEU 126  14.525   3.044  -6.456
  946   HD22  LEU 126          HD22      LEU 126  14.848   3.616  -8.092
  947   HD23  LEU 126          HD23      LEU 126  13.381   4.140  -7.264
  948    H    ILE 127           H        ILE 127  11.725   1.796 -10.566
  949    HA   ILE 127           HA       ILE 127   9.406   0.831  -9.290
  950    HB   ILE 127           HB       ILE 127   9.887   2.282 -11.922
  951   HG12  ILE 127          HG12      ILE 127   8.594   3.301  -9.349
  952   HG13  ILE 127          HG13      ILE 127  10.331   3.432  -9.641
  953   HG21  ILE 127          HG21      ILE 127   7.267   1.491 -10.602
  954   HG22  ILE 127          HG22      ILE 127   7.370   2.797 -11.811
  955   HG23  ILE 127          HG23      ILE 127   7.813   1.151 -12.254
  956   HD11  ILE 127          HD11      ILE 127   8.122   4.796 -11.244
  957   HD12  ILE 127          HD12      ILE 127   9.343   5.540 -10.212
  958   HD13  ILE 127          HD13      ILE 127   9.832   4.763 -11.728
  959    H    ALA 128           H        ALA 128  11.004  -0.295 -12.329
  960    HA   ALA 128           HA       ALA 128   8.782  -1.832 -13.188
  961    HB1  ALA 128           HB1      ALA 128  10.337  -2.936 -14.716
  962    HB2  ALA 128           HB2      ALA 128  10.666  -1.194 -14.671
  963    HB3  ALA 128           HB3      ALA 128  11.726  -2.330 -13.801
  964    H    LYS 129           H        LYS 129  11.382  -2.573 -10.928
  965    HA   LYS 129           HA       LYS 129  10.974  -5.375 -10.660
  966    HB2  LYS 129           HB2      LYS 129  12.044  -3.298  -8.758
  967    HB3  LYS 129           HB3      LYS 129  12.155  -5.039  -8.479
  968    HG2  LYS 129           HG2      LYS 129  13.581  -5.344 -10.417
  969    HG3  LYS 129           HG3      LYS 129  13.306  -3.685 -10.958
  970    HD2  LYS 129           HD2      LYS 129  14.274  -2.955  -8.677
  971    HD3  LYS 129           HD3      LYS 129  14.875  -4.607  -8.540
  972    HE2  LYS 129           HE2      LYS 129  15.449  -2.675 -10.855
  973    HE3  LYS 129           HE3      LYS 129  16.518  -2.907  -9.472
  974    HZ1  LYS 129           HZ1      LYS 129  17.241  -4.243 -11.332
  975    HZ2  LYS 129           HZ2      LYS 129  16.772  -5.238 -10.134
  976    HZ3  LYS 129           HZ3      LYS 129  15.811  -5.014 -11.439
  977    H    ILE 130           H        ILE 130   9.662  -2.553  -8.874
  978    HA   ILE 130           HA       ILE 130   8.205  -4.243  -7.061
  979    HB   ILE 130           HB       ILE 130   7.515  -1.938  -6.161
  980   HG12  ILE 130          HG12      ILE 130   9.548  -0.961  -8.061
  981   HG13  ILE 130          HG13      ILE 130   7.889  -0.435  -7.849
  982   HG21  ILE 130          HG21      ILE 130   9.549  -1.902  -4.800
  983   HG22  ILE 130          HG22      ILE 130   9.249  -3.573  -5.227
  984   HG23  ILE 130          HG23      ILE 130  10.487  -2.656  -6.115
  985   HD11  ILE 130          HD11      ILE 130   9.468   1.207  -6.934
  986   HD12  ILE 130          HD12      ILE 130   8.546   0.459  -5.584
  987   HD13  ILE 130          HD13      ILE 130  10.215  -0.021  -5.923
  988    H    SER 131           H        SER 131   7.390  -2.317  -9.805
  989    HA   SER 131           HA       SER 131   4.784  -1.641  -9.568
  990    HB2  SER 131           HB2      SER 131   6.184  -2.826 -11.995
  991    HB3  SER 131           HB3      SER 131   4.577  -2.075 -12.051
  992    HG   SER 131           HG       SER 131   7.040  -0.901 -11.239
  Start of MODEL    2
    1    H    MET   1           H        MET   1   1.301   0.829   0.632
    2    HA   MET   1           HA       MET   1   1.892   0.605  -2.234
    3    HB2  MET   1           HB2      MET   1   0.667   2.647  -1.832
    4    HB3  MET   1           HB3      MET   1   1.714   3.079  -0.470
    5    HG2  MET   1           HG2      MET   1   3.601   3.416  -1.938
    6    HG3  MET   1           HG3      MET   1   2.712   2.786  -3.327
    7    HE1  MET   1           HE1      MET   1   0.754   5.694  -4.678
    8    HE2  MET   1           HE2      MET   1   1.859   4.364  -5.082
    9    HE3  MET   1           HE3      MET   1   0.358   4.031  -4.179
   10    H    LYS   2           H        LYS   2   4.031   0.747  -2.832
   11    HA   LYS   2           HA       LYS   2   6.024  -0.134  -0.853
   12    HB2  LYS   2           HB2      LYS   2   5.966   0.174  -3.817
   13    HB3  LYS   2           HB3      LYS   2   7.468  -0.053  -2.883
   14    HG2  LYS   2           HG2      LYS   2   6.381  -2.064  -1.760
   15    HG3  LYS   2           HG3      LYS   2   5.004  -1.891  -2.874
   16    HD2  LYS   2           HD2      LYS   2   6.441  -2.137  -4.769
   17    HD3  LYS   2           HD3      LYS   2   7.878  -2.061  -3.738
   18    HE2  LYS   2           HE2      LYS   2   5.834  -4.326  -3.535
   19    HE3  LYS   2           HE3      LYS   2   7.230  -4.393  -4.619
   20    HZ1  LYS   2           HZ1      LYS   2   7.370  -4.160  -1.667
   21    HZ2  LYS   2           HZ2      LYS   2   7.904  -5.426  -2.558
   22    HZ3  LYS   2           HZ3      LYS   2   8.624  -3.949  -2.603
   23    H    LYS   3           H        LYS   3   7.281   1.313   0.262
   24    HA   LYS   3           HA       LYS   3   7.453   4.119  -0.697
   25    HB2  LYS   3           HB2      LYS   3   7.874   2.710   1.954
   26    HB3  LYS   3           HB3      LYS   3   8.781   4.176   1.640
   27    HG2  LYS   3           HG2      LYS   3   6.612   5.312   0.904
   28    HG3  LYS   3           HG3      LYS   3   5.752   3.873   1.465
   29    HD2  LYS   3           HD2      LYS   3   5.615   5.624   3.130
   30    HD3  LYS   3           HD3      LYS   3   6.629   4.323   3.778
   31    HE2  LYS   3           HE2      LYS   3   8.640   5.544   3.359
   32    HE3  LYS   3           HE3      LYS   3   7.811   6.756   2.366
   33    HZ1  LYS   3           HZ1      LYS   3   7.282   6.363   5.247
   34    HZ2  LYS   3           HZ2      LYS   3   8.356   7.478   4.662
   35    HZ3  LYS   3           HZ3      LYS   3   6.758   7.605   4.315
   36    H    VAL   4           H        VAL   4   9.247   4.881  -1.759
   37    HA   VAL   4           HA       VAL   4  11.708   3.230  -1.529
   38    HB   VAL   4           HB       VAL   4  10.808   3.464  -3.759
   39   HG11  VAL   4          HG11      VAL   4  11.252   6.448  -3.532
   40   HG12  VAL   4          HG12      VAL   4  10.922   5.571  -5.028
   41   HG13  VAL   4          HG13      VAL   4   9.691   5.613  -3.755
   42   HG21  VAL   4          HG21      VAL   4  13.321   3.352  -3.324
   43   HG22  VAL   4          HG22      VAL   4  12.874   4.083  -4.869
   44   HG23  VAL   4          HG23      VAL   4  13.377   5.107  -3.517
   45    H    MET   5           H        MET   5  13.477   4.031  -0.719
   46    HA   MET   5           HA       MET   5  13.556   6.953   0.014
   47    HB2  MET   5           HB2      MET   5  13.629   5.491   2.001
   48    HB3  MET   5           HB3      MET   5  14.985   4.609   1.298
   49    HG2  MET   5           HG2      MET   5  15.790   6.218   2.944
   50    HG3  MET   5           HG3      MET   5  16.341   6.645   1.340
   51    HE1  MET   5           HE1      MET   5  15.090   8.059   4.542
   52    HE2  MET   5           HE2      MET   5  13.683   9.070   4.146
   53    HE3  MET   5           HE3      MET   5  13.581   7.300   4.001
   54    H    PHE   6           H        PHE   6  15.278   8.133  -0.791
   55    HA   PHE   6           HA       PHE   6  17.455   6.676  -2.238
   56    HB2  PHE   6           HB2      PHE   6  16.464   9.441  -2.764
   57    HB3  PHE   6           HB3      PHE   6  17.828   8.645  -3.540
   58    HD1  PHE   6           HD2      PHE   6  17.490   6.771  -5.125
   59    HD2  PHE   6           HD1      PHE   6  14.151   8.856  -3.352
   60    HE1  PHE   6           HE2      PHE   6  15.967   5.796  -6.862
   61    HE2  PHE   6           HE1      PHE   6  12.655   7.785  -5.064
   62    HZ   PHE   6           HZ       PHE   6  13.546   6.286  -6.766
   63    H    VAL   7           H        VAL   7  19.588   7.107  -1.303
   64    HA   VAL   7           HA       VAL   7  19.739   9.200   0.827
   65    HB   VAL   7           HB       VAL   7  20.884   6.364   0.986
   66   HG11  VAL   7          HG11      VAL   7  21.235   6.863   3.338
   67   HG12  VAL   7          HG12      VAL   7  22.059   8.061   2.354
   68   HG13  VAL   7          HG13      VAL   7  20.515   8.482   3.138
   69   HG21  VAL   7          HG21      VAL   7  18.306   7.347   2.216
   70   HG22  VAL   7          HG22      VAL   7  18.526   6.014   1.048
   71   HG23  VAL   7          HG23      VAL   7  19.153   5.860   2.687
   72    H    CYS   8           H        CYS   8  21.506  10.557   0.382
   73    HA   CYS   8           HA       CYS   8  23.823   9.386  -1.095
   74    HB2  CYS   8           HB2      CYS   8  22.648  10.968  -2.553
   75    HB3  CYS   8           HB3      CYS   8  22.633  12.189  -1.308
   76    HG   CYS   8           HG       CYS   8  24.302  12.882  -3.270
   77    H    LYS   9           H        LYS   9  25.880  10.511  -0.652
   78    HA   LYS   9           HA       LYS   9  26.424  10.686   2.166
   79    HB2  LYS   9           HB2      LYS   9  27.920  10.697  -0.366
   80    HB3  LYS   9           HB3      LYS   9  28.541  11.927   0.737
   81    HG2  LYS   9           HG2      LYS   9  28.842  10.282   2.511
   82    HG3  LYS   9           HG3      LYS   9  28.095   9.011   1.518
   83    HD2  LYS   9           HD2      LYS   9  29.885   9.136  -0.110
   84    HD3  LYS   9           HD3      LYS   9  30.594  10.552   0.703
   85    HE2  LYS   9           HE2      LYS   9  30.898   9.105   2.768
   86    HE3  LYS   9           HE3      LYS   9  30.402   7.712   1.800
   87    HZ1  LYS   9           HZ1      LYS   9  32.759   9.437   1.270
   88    HZ2  LYS   9           HZ2      LYS   9  32.811   7.931   1.877
   89    HZ3  LYS   9           HZ3      LYS   9  32.317   8.172   0.337
   90    H    ARG  10           H        ARG  10  25.328  13.105  -0.159
   91    HA   ARG  10           HA       ARG  10  25.391  15.039   2.104
   92    HB2  ARG  10           HB2      ARG  10  25.982  16.849   0.725
   93    HB3  ARG  10           HB3      ARG  10  27.196  15.599   0.526
   94    HG2  ARG  10           HG2      ARG  10  26.434  15.096  -1.738
   95    HG3  ARG  10           HG3      ARG  10  24.941  16.000  -1.513
   96    HD2  ARG  10           HD2      ARG  10  26.460  17.366  -2.800
   97    HD3  ARG  10           HD3      ARG  10  26.200  18.101  -1.233
   98    HE   ARG  10           HE       ARG  10  28.392  17.727  -0.623
   99   HH11  ARG  10          HH12      ARG  10  27.799  16.195  -3.785
  100   HH12  ARG  10          HH11      ARG  10  29.471  15.815  -4.049
  101   HH21  ARG  10          HH21      ARG  10  30.599  17.236  -1.000
  102   HH22  ARG  10          HH22      ARG  10  31.088  16.430  -2.439
  103    H    ASN  11           H        ASN  11  23.291  13.348   0.291
  104    HA   ASN  11           HA       ASN  11  21.131  13.485  -0.405
  105    HB2  ASN  11           HB2      ASN  11  20.548  14.268   1.764
  106    HB3  ASN  11           HB3      ASN  11  21.022  15.919   1.395
  107   HD21  ASN  11          HD22      ASN  11  18.790  13.375   0.083
  108   HD22  ASN  11          HD21      ASN  11  17.572  14.555  -0.403
  109    H    SER  12           H        SER  12  22.565  16.757  -0.540
  110    HA   SER  12           HA       SER  12  21.083  18.296  -1.867
  111    HB2  SER  12           HB2      SER  12  23.968  17.936  -2.711
  112    HB3  SER  12           HB3      SER  12  23.010  19.423  -2.778
  113    HG   SER  12           HG       SER  12  22.713  19.042  -0.416
  114    H    CYS  13           H        CYS  13  22.701  15.765  -3.905
  115    HA   CYS  13           HA       CYS  13  21.223  16.974  -6.210
  116    HB2  CYS  13           HB2      CYS  13  23.945  15.701  -6.424
  117    HB3  CYS  13           HB3      CYS  13  23.094  16.726  -7.591
  118    HG   CYS  13           HG       CYS  13  25.003  17.252  -5.098
  119    H    ARG  14           H        ARG  14  23.083  13.903  -5.454
  120    HA   ARG  14           HA       ARG  14  21.792  12.522  -7.522
  121    HB2  ARG  14           HB2      ARG  14  22.862  11.343  -4.934
  122    HB3  ARG  14           HB3      ARG  14  22.376  10.381  -6.334
  123    HG2  ARG  14           HG2      ARG  14  24.195  11.316  -7.683
  124    HG3  ARG  14           HG3      ARG  14  24.659  12.375  -6.336
  125    HD2  ARG  14           HD2      ARG  14  24.807  10.280  -4.909
  126    HD3  ARG  14           HD3      ARG  14  24.709   9.331  -6.395
  127    HE   ARG  14           HE       ARG  14  26.800  10.599  -7.095
  128   HH11  ARG  14          HH11      ARG  14  26.112  10.039  -3.648
  129   HH12  ARG  14          HH12      ARG  14  27.787  10.012  -3.185
  130   HH21  ARG  14          HH21      ARG  14  29.015  10.241  -6.423
  131   HH22  ARG  14          HH22      ARG  14  29.437  10.388  -4.747
  132    H    SER  15           H        SER  15  20.864  12.507  -3.985
  133    HA   SER  15           HA       SER  15  18.671  10.762  -4.328
  134    HB2  SER  15           HB2      SER  15  18.710  12.869  -2.179
  135    HB3  SER  15           HB3      SER  15  18.206  11.170  -2.103
  136    HG   SER  15           HG       SER  15  20.103  11.369  -1.050
  137    H    GLN  16           H        GLN  16  18.890  14.386  -4.350
  138    HA   GLN  16           HA       GLN  16  16.058  14.728  -4.090
  139    HB2  GLN  16           HB2      GLN  16  18.200  16.673  -5.061
  140    HB3  GLN  16           HB3      GLN  16  16.528  17.118  -4.699
  141    HG2  GLN  16           HG2      GLN  16  18.517  15.959  -2.709
  142    HG3  GLN  16           HG3      GLN  16  18.053  17.643  -2.821
  143   HE21  GLN  16          HE22      GLN  16  15.714  18.206  -2.263
  144   HE22  GLN  16          HE21      GLN  16  14.989  17.220  -1.028
  145    H    MET  17           H        MET  17  18.197  14.746  -6.991
  146    HA   MET  17           HA       MET  17  16.039  15.230  -8.827
  147    HB2  MET  17           HB2      MET  17  18.775  13.910  -9.082
  148    HB3  MET  17           HB3      MET  17  17.635  13.990 -10.421
  149    HG2  MET  17           HG2      MET  17  17.487  16.480 -10.080
  150    HG3  MET  17           HG3      MET  17  18.859  16.355  -8.976
  151    HE1  MET  17           HE1      MET  17  20.835  14.314 -10.263
  152    HE2  MET  17           HE2      MET  17  21.780  15.343 -11.361
  153    HE3  MET  17           HE3      MET  17  21.326  15.949  -9.749
  154    H    ALA  18           H        ALA  18  17.373  12.198  -7.394
  155    HA   ALA  18           HA       ALA  18  15.711  10.442  -8.860
  156    HB1  ALA  18           HB1      ALA  18  16.554  10.036  -5.968
  157    HB2  ALA  18           HB2      ALA  18  16.191   8.821  -7.203
  158    HB3  ALA  18           HB3      ALA  18  17.660   9.801  -7.336
  159    H    GLU  19           H        GLU  19  15.041  12.462  -6.013
  160    HA   GLU  19           HA       GLU  19  12.602  11.310  -5.249
  161    HB2  GLU  19           HB2      GLU  19  13.980  13.288  -4.102
  162    HB3  GLU  19           HB3      GLU  19  12.968  14.311  -5.079
  163    HG2  GLU  19           HG2      GLU  19  10.971  12.858  -4.157
  164    HG3  GLU  19           HG3      GLU  19  12.138  12.359  -2.926
  165    H    GLY  20           H        GLY  20  13.050  14.324  -7.119
  166    HA2  GLY  20           HA2      GLY  20  10.427  14.682  -7.969
  167    HA3  GLY  20           HA3      GLY  20  11.847  15.260  -8.847
  168    H    PHE  21           H        PHE  21  12.943  12.652  -9.679
  169    HA   PHE  21           HA       PHE  21  11.145  12.147 -11.887
  170    HB2  PHE  21           HB2      PHE  21  13.535  10.507 -10.984
  171    HB3  PHE  21           HB3      PHE  21  12.657  10.296 -12.493
  172    HD1  PHE  21           HD1      PHE  21  12.334  12.844 -13.767
  173    HD2  PHE  21           HD2      PHE  21  15.646  11.418 -11.404
  174    HE1  PHE  21           HE1      PHE  21  13.733  14.761 -14.545
  175    HE2  PHE  21           HE2      PHE  21  17.055  13.245 -12.300
  176    HZ   PHE  21           HZ       PHE  21  16.021  14.990 -13.760
  177    H    ALA  22           H        ALA  22  11.793  10.338  -8.793
  178    HA   ALA  22           HA       ALA  22  10.164   8.117  -9.522
  179    HB1  ALA  22           HB1      ALA  22  11.852   8.009  -7.750
  180    HB2  ALA  22           HB2      ALA  22  10.950   9.209  -6.814
  181    HB3  ALA  22           HB3      ALA  22  10.250   7.598  -7.093
  182    H    LYS  23           H        LYS  23   9.259  11.140  -7.668
  183    HA   LYS  23           HA       LYS  23   6.575  10.188  -7.373
  184    HB2  LYS  23           HB2      LYS  23   6.054  12.632  -6.854
  185    HB3  LYS  23           HB3      LYS  23   7.077  11.731  -5.763
  186    HG2  LYS  23           HG2      LYS  23   8.967  12.881  -6.236
  187    HG3  LYS  23           HG3      LYS  23   8.455  13.343  -7.877
  188    HD2  LYS  23           HD2      LYS  23   7.073  14.394  -5.380
  189    HD3  LYS  23           HD3      LYS  23   8.568  15.141  -5.988
  190    HE2  LYS  23           HE2      LYS  23   7.583  15.478  -8.200
  191    HE3  LYS  23           HE3      LYS  23   6.070  14.703  -7.690
  192    HZ1  LYS  23           HZ1      LYS  23   5.891  17.112  -7.605
  193    HZ2  LYS  23           HZ2      LYS  23   5.759  16.517  -6.096
  194    HZ3  LYS  23           HZ3      LYS  23   7.147  17.237  -6.575
  195    H    THR  24           H        THR  24   8.178  11.452 -10.206
  196    HA   THR  24           HA       THR  24   5.598  12.072 -11.400
  197    HB   THR  24           HB       THR  24   8.413  11.939 -12.589
  198    HG1  THR  24           HG1      THR  24   8.491  13.526 -11.088
  199   HG21  THR  24          HG21      THR  24   6.657  11.879 -14.277
  200   HG22  THR  24          HG22      THR  24   5.848  13.274 -13.526
  201   HG23  THR  24          HG23      THR  24   7.451  13.464 -14.288
  202    H    LEU  25           H        LEU  25   8.183   9.642 -11.722
  203    HA   LEU  25           HA       LEU  25   6.937   8.231 -13.878
  204    HB2  LEU  25           HB2      LEU  25   9.249   7.569 -12.009
  205    HB3  LEU  25           HB3      LEU  25   8.838   6.621 -13.432
  206    HG   LEU  25           HG       LEU  25   9.646   9.565 -13.565
  207   HD11  LEU  25          HD11      LEU  25  11.262   6.998 -13.755
  208   HD12  LEU  25          HD12      LEU  25  11.845   8.574 -14.353
  209   HD13  LEU  25          HD13      LEU  25  11.470   8.348 -12.639
  210   HD21  LEU  25          HD21      LEU  25   9.437   7.390 -15.702
  211   HD22  LEU  25          HD22      LEU  25   8.362   8.794 -15.528
  212   HD23  LEU  25          HD23      LEU  25  10.059   9.037 -15.951
  213    H    GLY  26           H        GLY  26   7.290   7.647 -10.402
  214    HA2  GLY  26           HA2      GLY  26   5.942   5.015 -10.672
  215    HA3  GLY  26           HA3      GLY  26   7.082   5.507  -9.425
  216    H    ALA  27           H        ALA  27   5.316   8.199  -9.365
  217    HA   ALA  27           HA       ALA  27   3.601   7.527  -7.233
  218    HB1  ALA  27           HB1      ALA  27   2.373   9.646  -7.871
  219    HB2  ALA  27           HB2      ALA  27   4.120   9.840  -7.678
  220    HB3  ALA  27           HB3      ALA  27   3.413   9.760  -9.311
  221    H    GLY  28           H        GLY  28   2.108   6.022  -7.233
  222    HA2  GLY  28           HA2      GLY  28  -0.220   5.524  -8.322
  223    HA3  GLY  28           HA3      GLY  28   0.775   5.198  -9.753
  224    H    LYS  29           H        LYS  29   3.058   4.119  -8.155
  225    HA   LYS  29           HA       LYS  29   1.873   1.700  -6.876
  226    HB2  LYS  29           HB2      LYS  29   3.508   0.254  -7.863
  227    HB3  LYS  29           HB3      LYS  29   2.545   0.996  -9.129
  228    HG2  LYS  29           HG2      LYS  29   5.235   2.181  -8.348
  229    HG3  LYS  29           HG3      LYS  29   5.186   0.735  -9.336
  230    HD2  LYS  29           HD2      LYS  29   3.787   3.333 -10.070
  231    HD3  LYS  29           HD3      LYS  29   5.434   2.914 -10.544
  232    HE2  LYS  29           HE2      LYS  29   4.642   0.857 -11.660
  233    HE3  LYS  29           HE3      LYS  29   2.971   1.257 -11.244
  234    HZ1  LYS  29           HZ1      LYS  29   3.499   1.917 -13.499
  235    HZ2  LYS  29           HZ2      LYS  29   3.182   3.254 -12.627
  236    HZ3  LYS  29           HZ3      LYS  29   4.727   2.866 -13.016
  237    H    ILE  30           H        ILE  30   4.365   4.158  -6.979
  238    HA   ILE  30           HA       ILE  30   5.229   3.200  -4.302
  239    HB   ILE  30           HB       ILE  30   7.477   4.163  -4.777
  240   HG12  ILE  30          HG12      ILE  30   6.885   3.977  -7.737
  241   HG13  ILE  30          HG13      ILE  30   6.646   5.492  -6.857
  242   HG21  ILE  30          HG21      ILE  30   7.111   1.771  -4.804
  243   HG22  ILE  30          HG22      ILE  30   6.704   1.804  -6.533
  244   HG23  ILE  30          HG23      ILE  30   8.341   2.234  -5.971
  245   HD11  ILE  30          HD11      ILE  30   9.309   4.025  -7.024
  246   HD12  ILE  30          HD12      ILE  30   8.839   5.468  -7.925
  247   HD13  ILE  30          HD13      ILE  30   8.951   5.567  -6.164
  248    H    ALA  31           H        ALA  31   6.014   4.815  -2.897
  249    HA   ALA  31           HA       ALA  31   5.469   7.659  -3.611
  250    HB1  ALA  31           HB1      ALA  31   3.741   7.052  -2.032
  251    HB2  ALA  31           HB2      ALA  31   4.910   6.211  -0.979
  252    HB3  ALA  31           HB3      ALA  31   4.966   7.980  -1.157
  253    H    VAL  32           H        VAL  32   7.217   8.959  -3.140
  254    HA   VAL  32           HA       VAL  32   9.680   7.554  -2.346
  255    HB   VAL  32           HB       VAL  32   9.592   8.201  -4.613
  256   HG11  VAL  32          HG11      VAL  32   9.334  10.564  -5.377
  257   HG12  VAL  32          HG12      VAL  32   7.859   9.765  -4.847
  258   HG13  VAL  32          HG13      VAL  32   8.672  10.952  -3.782
  259   HG21  VAL  32          HG21      VAL  32  11.196  10.418  -3.303
  260   HG22  VAL  32          HG22      VAL  32  11.727   8.734  -3.330
  261   HG23  VAL  32          HG23      VAL  32  11.507   9.625  -4.840
  262    H    THR  33           H        THR  33  11.228   8.408  -1.150
  263    HA   THR  33           HA       THR  33  11.034  11.116  -0.104
  264    HB   THR  33           HB       THR  33  11.944   8.722   1.544
  265    HG1  THR  33           HG1      THR  33   9.400   9.947   1.402
  266   HG21  THR  33          HG21      THR  33  11.267  11.588   2.356
  267   HG22  THR  33          HG22      THR  33  11.737  10.273   3.456
  268   HG23  THR  33          HG23      THR  33  12.894  10.868   2.277
  269    H    SER  34           H        SER  34  13.151  12.020  -0.037
  270    HA   SER  34           HA       SER  34  15.462  10.270  -0.593
  271    HB2  SER  34           HB2      SER  34  14.838  12.998  -1.790
  272    HB3  SER  34           HB3      SER  34  16.373  12.132  -1.934
  273    HG   SER  34           HG       SER  34  15.290  11.576  -3.715
  274    H    CYS  35           H        CYS  35  17.395  10.913   0.529
  275    HA   CYS  35           HA       CYS  35  17.355  13.223   2.272
  276    HB2  CYS  35           HB2      CYS  35  17.467  11.988   4.352
  277    HB3  CYS  35           HB3      CYS  35  15.968  11.556   3.539
  278    HG   CYS  35           HG       CYS  35  16.822   9.340   2.471
  279    H    GLY  36           H        GLY  36  19.494  12.240   3.937
  280    HA2  GLY  36           HA2      GLY  36  21.397  10.839   2.263
  281    HA3  GLY  36           HA3      GLY  36  21.888  12.496   2.681
  282    H    LEU  37           H        LEU  37  23.192  10.168   3.361
  283    HA   LEU  37           HA       LEU  37  23.010   9.199   5.965
  284    HB2  LEU  37           HB2      LEU  37  24.528   8.429   4.211
  285    HB3  LEU  37           HB3      LEU  37  25.265  10.033   4.094
  286    HG   LEU  37           HG       LEU  37  26.149   9.833   6.343
  287   HD11  LEU  37          HD11      LEU  37  26.151   7.546   7.449
  288   HD12  LEU  37          HD12      LEU  37  24.540   8.273   7.376
  289   HD13  LEU  37          HD13      LEU  37  24.981   7.005   6.218
  290   HD21  LEU  37          HD21      LEU  37  26.829   7.531   4.460
  291   HD22  LEU  37          HD22      LEU  37  27.468   9.183   4.379
  292   HD23  LEU  37          HD23      LEU  37  27.893   8.144   5.753
  293    H    GLU  38           H        GLU  38  24.075  12.266   4.641
  294    HA   GLU  38           HA       GLU  38  23.549  13.718   7.060
  295    HB2  GLU  38           HB2      GLU  38  26.042  13.241   7.180
  296    HB3  GLU  38           HB3      GLU  38  26.215  14.046   5.606
  297    HG2  GLU  38           HG2      GLU  38  25.378  16.150   6.565
  298    HG3  GLU  38           HG3      GLU  38  25.074  15.353   8.110
  299    H    SER  39           H        SER  39  22.869  15.823   6.307
  300    HA   SER  39           HA       SER  39  22.470  15.947   3.346
  301    HB2  SER  39           HB2      SER  39  20.462  16.507   5.513
  302    HB3  SER  39           HB3      SER  39  20.254  16.895   3.787
  303    HG   SER  39           HG       SER  39  19.423  14.832   4.194
  304    H    SER  40           H        SER  40  22.534  17.820   2.302
  305    HA   SER  40           HA       SER  40  22.855  20.413   3.683
  306    HB2  SER  40           HB2      SER  40  24.621  19.357   1.417
  307    HB3  SER  40           HB3      SER  40  24.660  20.997   2.082
  308    HG   SER  40           HG       SER  40  25.290  18.569   3.424
  309    H    ARG  41           H        ARG  41  22.400  22.184   2.037
  310    HA   ARG  41           HA       ARG  41  19.896  22.005   1.184
  311    HB2  ARG  41           HB2      ARG  41  20.092  24.075   0.169
  312    HB3  ARG  41           HB3      ARG  41  21.250  24.075   1.478
  313    HG2  ARG  41           HG2      ARG  41  21.871  23.829  -1.505
  314    HG3  ARG  41           HG3      ARG  41  22.031  25.253  -0.499
  315    HD2  ARG  41           HD2      ARG  41  24.198  24.584  -0.674
  316    HD3  ARG  41           HD3      ARG  41  23.755  23.894   0.885
  317    HE   ARG  41           HE       ARG  41  23.232  21.782  -0.590
  318   HH11  ARG  41          HH11      ARG  41  25.882  24.027  -1.524
  319   HH12  ARG  41          HH12      ARG  41  26.730  22.737  -2.355
  320   HH21  ARG  41          HH21      ARG  41  24.635  20.152  -1.427
  321   HH22  ARG  41          HH22      ARG  41  26.047  20.694  -2.342
  322    H    VAL  42           H        VAL  42  18.709  21.860  -0.780
  323    HA   VAL  42           HA       VAL  42  19.729  19.927  -2.681
  324    HB   VAL  42           HB       VAL  42  17.390  19.885  -2.307
  325   HG11  VAL  42          HG11      VAL  42  16.885  22.133  -1.558
  326   HG12  VAL  42          HG12      VAL  42  17.211  22.785  -3.185
  327   HG13  VAL  42          HG13      VAL  42  15.842  21.690  -2.914
  328   HG21  VAL  42          HG21      VAL  42  16.547  19.985  -4.580
  329   HG22  VAL  42          HG22      VAL  42  17.856  21.081  -5.070
  330   HG23  VAL  42          HG23      VAL  42  18.228  19.413  -4.613
  331    H    HIS  43           H        HIS  43  20.721  20.332  -4.557
  332    HA   HIS  43           HA       HIS  43  22.147  22.867  -4.637
  333    HB2  HIS  43           HB2      HIS  43  23.006  20.471  -5.015
  334    HB3  HIS  43           HB3      HIS  43  22.323  20.584  -6.636
  335    HD1  HIS  43           HD1      HIS  43  23.862  21.910  -8.360
  336    HD2  HIS  43           HD2      HIS  43  24.986  22.283  -4.332
  337    HE1  HIS  43           HE1      HIS  43  26.080  23.165  -8.346
  338    HA   PRO  44           HA       PRO  44  19.319  24.778  -7.337
  339    HB2  PRO  44           HB2      PRO  44  20.702  26.817  -8.546
  340    HB3  PRO  44           HB3      PRO  44  20.336  26.776  -6.795
  341    HG2  PRO  44           HG2      PRO  44  22.908  25.988  -8.182
  342    HG3  PRO  44           HG3      PRO  44  22.699  26.976  -6.704
  343    HD2  PRO  44           HD2      PRO  44  23.303  24.303  -6.670
  344    HD3  PRO  44           HD3      PRO  44  22.331  25.074  -5.376
  345    H    THR  45           H        THR  45  22.358  24.068  -9.244
  346    HA   THR  45           HA       THR  45  21.016  24.126 -11.706
  347    HB   THR  45           HB       THR  45  23.430  22.529 -10.805
  348    HG1  THR  45           HG1      THR  45  24.609  24.384 -11.265
  349   HG21  THR  45          HG21      THR  45  22.879  21.901 -13.095
  350   HG22  THR  45          HG22      THR  45  22.787  23.612 -13.579
  351   HG23  THR  45          HG23      THR  45  24.343  22.880 -13.079
  352    H    ALA  46           H        ALA  46  20.763  21.757  -9.222
  353    HA   ALA  46           HA       ALA  46  20.014  19.391 -10.635
  354    HB1  ALA  46           HB1      ALA  46  18.620  20.444  -8.157
  355    HB2  ALA  46           HB2      ALA  46  19.070  18.774  -8.557
  356    HB3  ALA  46           HB3      ALA  46  20.357  19.903  -8.076
  357    H    ILE  47           H        ILE  47  18.263  22.405  -9.705
  358    HA   ILE  47           HA       ILE  47  15.648  21.623 -10.314
  359    HB   ILE  47           HB       ILE  47  17.041  24.326 -10.613
  360   HG12  ILE  47          HG12      ILE  47  15.546  23.438  -8.119
  361   HG13  ILE  47          HG13      ILE  47  17.274  23.231  -8.262
  362   HG21  ILE  47          HG21      ILE  47  14.128  23.673 -10.158
  363   HG22  ILE  47          HG22      ILE  47  14.824  25.309 -10.286
  364   HG23  ILE  47          HG23      ILE  47  14.846  24.238 -11.678
  365   HD11  ILE  47          HD11      ILE  47  15.881  25.933  -8.408
  366   HD12  ILE  47          HD12      ILE  47  16.816  25.274  -7.058
  367   HD13  ILE  47          HD13      ILE  47  17.607  25.647  -8.610
  368    H    ALA  48           H        ALA  48  18.236  23.169 -12.258
  369    HA   ALA  48           HA       ALA  48  16.698  23.542 -14.554
  370    HB1  ALA  48           HB1      ALA  48  18.826  23.888 -15.720
  371    HB2  ALA  48           HB2      ALA  48  18.846  24.685 -14.132
  372    HB3  ALA  48           HB3      ALA  48  19.712  23.149 -14.371
  373    H    MET  49           H        MET  49  18.639  20.737 -13.577
  374    HA   MET  49           HA       MET  49  18.498  19.265 -16.016
  375    HB2  MET  49           HB2      MET  49  18.743  18.457 -13.086
  376    HB3  MET  49           HB3      MET  49  18.668  17.250 -14.352
  377    HG2  MET  49           HG2      MET  49  20.715  19.451 -14.137
  378    HG3  MET  49           HG3      MET  49  20.926  17.730 -13.765
  379    HE1  MET  49           HE1      MET  49  22.738  19.576 -16.357
  380    HE2  MET  49           HE2      MET  49  21.673  19.710 -17.743
  381    HE3  MET  49           HE3      MET  49  21.196  20.493 -16.213
  382    H    MET  50           H        MET  50  16.352  19.307 -13.196
  383    HA   MET  50           HA       MET  50  14.551  17.295 -14.244
  384    HB2  MET  50           HB2      MET  50  14.301  19.328 -11.974
  385    HB3  MET  50           HB3      MET  50  13.137  18.053 -12.331
  386    HG2  MET  50           HG2      MET  50  15.502  16.608 -12.329
  387    HG3  MET  50           HG3      MET  50  15.914  17.863 -11.202
  388    HE1  MET  50           HE1      MET  50  12.023  15.587 -10.973
  389    HE2  MET  50           HE2      MET  50  13.044  15.839 -12.396
  390    HE3  MET  50           HE3      MET  50  13.325  14.438 -11.342
  391    H    GLU  51           H        GLU  51  14.683  20.887 -14.220
  392    HA   GLU  51           HA       GLU  51  12.248  21.328 -15.487
  393    HB2  GLU  51           HB2      GLU  51  14.237  22.802 -14.355
  394    HB3  GLU  51           HB3      GLU  51  14.648  23.060 -16.054
  395    HG2  GLU  51           HG2      GLU  51  11.965  23.513 -14.693
  396    HG3  GLU  51           HG3      GLU  51  13.163  24.774 -14.965
  397    H    GLU  52           H        GLU  52  15.367  20.272 -16.867
  398    HA   GLU  52           HA       GLU  52  14.635  20.638 -19.589
  399    HB2  GLU  52           HB2      GLU  52  16.324  18.338 -18.564
  400    HB3  GLU  52           HB3      GLU  52  16.269  18.983 -20.191
  401    HG2  GLU  52           HG2      GLU  52  17.039  21.241 -18.903
  402    HG3  GLU  52           HG3      GLU  52  17.689  20.031 -17.790
  403    H    VAL  53           H        VAL  53  14.033  18.035 -17.245
  404    HA   VAL  53           HA       VAL  53  12.753  16.328 -19.275
  405    HB   VAL  53           HB       VAL  53  12.808  16.064 -16.247
  406   HG11  VAL  53          HG11      VAL  53  12.121  14.010 -18.404
  407   HG12  VAL  53          HG12      VAL  53  12.336  13.654 -16.675
  408   HG13  VAL  53          HG13      VAL  53  11.000  14.676 -17.198
  409   HG21  VAL  53          HG21      VAL  53  15.078  15.983 -17.156
  410   HG22  VAL  53          HG22      VAL  53  14.579  14.331 -16.765
  411   HG23  VAL  53          HG23      VAL  53  14.569  14.879 -18.448
  412    H    GLY  54           H        GLY  54  11.762  18.976 -17.266
  413    HA2  GLY  54           HA2      GLY  54   9.758  20.181 -17.670
  414    HA3  GLY  54           HA3      GLY  54   8.945  18.705 -18.213
  415    H    ILE  55           H        ILE  55  11.001  18.788 -15.340
  416    HA   ILE  55           HA       ILE  55   8.630  18.660 -13.522
  417    HB   ILE  55           HB       ILE  55  11.163  16.996 -13.342
  418   HG12  ILE  55          HG12      ILE  55   8.444  15.731 -13.805
  419   HG13  ILE  55          HG13      ILE  55   9.323  16.339 -15.196
  420   HG21  ILE  55          HG21      ILE  55   8.646  17.049 -11.619
  421   HG22  ILE  55          HG22      ILE  55   9.738  15.667 -11.627
  422   HG23  ILE  55          HG23      ILE  55  10.344  17.214 -11.093
  423   HD11  ILE  55          HD11      ILE  55  11.296  15.053 -14.619
  424   HD12  ILE  55          HD12      ILE  55  10.428  14.297 -13.257
  425   HD13  ILE  55          HD13      ILE  55   9.876  14.029 -14.925
  426    H    ASP  56           H        ASP  56   9.849  18.980 -11.101
  427    HA   ASP  56           HA       ASP  56  11.886  21.108 -11.282
  428    HB2  ASP  56           HB2      ASP  56   9.875  22.426 -11.445
  429    HB3  ASP  56           HB3      ASP  56   9.056  21.452 -10.212
  430    H    ILE  57           H        ILE  57  12.945  21.410  -9.320
  431    HA   ILE  57           HA       ILE  57  12.031  19.943  -6.980
  432    HB   ILE  57           HB       ILE  57  14.643  19.555  -6.546
  433   HG12  ILE  57          HG12      ILE  57  14.555  18.919  -9.494
  434   HG13  ILE  57          HG13      ILE  57  15.379  20.304  -8.755
  435   HG21  ILE  57          HG21      ILE  57  12.913  17.592  -8.120
  436   HG22  ILE  57          HG22      ILE  57  14.175  17.194  -6.928
  437   HG23  ILE  57          HG23      ILE  57  12.679  17.934  -6.410
  438   HD11  ILE  57          HD11      ILE  57  16.917  18.483  -9.154
  439   HD12  ILE  57          HD12      ILE  57  16.772  18.813  -7.408
  440   HD13  ILE  57          HD13      ILE  57  15.978  17.399  -8.134
  441    H    SER  58           H        SER  58  13.017  22.901  -8.254
  442    HA   SER  58           HA       SER  58  14.185  24.131  -6.002
  443    HB2  SER  58           HB2      SER  58  13.288  26.211  -6.854
  444    HB3  SER  58           HB3      SER  58  13.907  25.224  -8.180
  445    HG   SER  58           HG       SER  58  11.809  24.615  -8.698
  446    H    GLY  59           H        GLY  59  10.821  23.102  -6.559
  447    HA2  GLY  59           HA2      GLY  59   9.650  24.601  -4.428
  448    HA3  GLY  59           HA3      GLY  59   8.927  23.272  -5.341
  449    H    GLN  60           H        GLN  60  11.636  21.788  -4.187
  450    HA   GLN  60           HA       GLN  60  10.441  21.081  -1.603
  451    HB2  GLN  60           HB2      GLN  60  11.101  18.766  -2.003
  452    HB3  GLN  60           HB3      GLN  60   9.949  19.416  -3.171
  453    HG2  GLN  60           HG2      GLN  60  11.243  18.137  -4.501
  454    HG3  GLN  60           HG3      GLN  60  11.919  19.713  -4.774
  455   HE21  GLN  60          HE22      GLN  60  12.572  16.464  -3.962
  456   HE22  GLN  60          HE21      GLN  60  14.251  16.668  -3.480
  457    H    THR  61           H        THR  61  12.091  19.906  -0.186
  458    HA   THR  61           HA       THR  61  14.618  21.454  -0.189
  459    HB   THR  61           HB       THR  61  14.190  21.452   2.337
  460    HG1  THR  61           HG1      THR  61  12.574  19.927   2.541
  461   HG21  THR  61          HG21      THR  61  13.797  23.402   0.858
  462   HG22  THR  61          HG22      THR  61  12.130  22.835   0.574
  463   HG23  THR  61          HG23      THR  61  12.642  23.343   2.205
  464    H    SER  62           H        SER  62  16.320  20.608   1.098
  465    HA   SER  62           HA       SER  62  16.816  17.770   0.844
  466    HB2  SER  62           HB2      SER  62  18.892  18.579   2.197
  467    HB3  SER  62           HB3      SER  62  18.651  19.214   0.558
  468    HG   SER  62           HG       SER  62  18.113  20.531   3.014
  469    H    ASP  63           H        ASP  63  17.243  16.368   2.725
  470    HA   ASP  63           HA       ASP  63  16.239  17.241   5.349
  471    HB2  ASP  63           HB2      ASP  63  14.264  16.390   3.738
  472    HB3  ASP  63           HB3      ASP  63  14.867  14.803   4.207
  473    HA   PRO  64           HA       PRO  64  19.350  14.102   6.206
  474    HB2  PRO  64           HB2      PRO  64  19.276  13.926   8.900
  475    HB3  PRO  64           HB3      PRO  64  19.784  15.425   8.068
  476    HG2  PRO  64           HG2      PRO  64  17.069  14.772   9.245
  477    HG3  PRO  64           HG3      PRO  64  18.033  16.266   9.451
  478    HD2  PRO  64           HD2      PRO  64  16.010  16.007   7.603
  479    HD3  PRO  64           HD3      PRO  64  17.434  17.060   7.333
  480    H    ILE  65           H        ILE  65  19.545  11.875   6.510
  481    HA   ILE  65           HA       ILE  65  17.338  10.151   6.373
  482    HB   ILE  65           HB       ILE  65  19.629   9.616   5.772
  483   HG12  ILE  65          HG12      ILE  65  18.453   7.610   7.721
  484   HG13  ILE  65          HG13      ILE  65  17.802   7.945   6.109
  485   HG21  ILE  65          HG21      ILE  65  21.290   8.852   7.392
  486   HG22  ILE  65          HG22      ILE  65  20.841  10.504   7.792
  487   HG23  ILE  65          HG23      ILE  65  20.191   9.148   8.741
  488   HD11  ILE  65          HD11      ILE  65  20.108   7.447   5.195
  489   HD12  ILE  65          HD12      ILE  65  20.502   6.746   6.784
  490   HD13  ILE  65          HD13      ILE  65  19.185   6.070   5.796
  491    H    GLU  66           H        GLU  66  18.985  11.480   9.178
  492    HA   GLU  66           HA       GLU  66  18.122   9.925  11.254
  493    HB2  GLU  66           HB2      GLU  66  18.397  12.958  11.359
  494    HB3  GLU  66           HB3      GLU  66  18.673  11.801  12.663
  495    HG2  GLU  66           HG2      GLU  66  20.595  10.860  11.228
  496    HG3  GLU  66           HG3      GLU  66  20.398  12.271  10.182
  497    H    ASN  67           H        ASN  67  16.140  12.092   9.372
  498    HA   ASN  67           HA       ASN  67  14.138  12.576  11.428
  499    HB2  ASN  67           HB2      ASN  67  14.782  14.182   9.591
  500    HB3  ASN  67           HB3      ASN  67  14.055  13.069   8.434
  501   HD21  ASN  67          HD22      ASN  67  12.602  14.708   7.779
  502   HD22  ASN  67          HD21      ASN  67  11.203  15.155   8.761
  503    H    PHE  68           H        PHE  68  14.787   9.760   9.529
  504    HA   PHE  68           HA       PHE  68  11.922   8.965   9.584
  505    HB2  PHE  68           HB2      PHE  68  14.098   8.326   7.561
  506    HB3  PHE  68           HB3      PHE  68  12.446   7.704   7.555
  507    HD1  PHE  68           HD2      PHE  68  10.564   9.090   6.910
  508    HD2  PHE  68           HD1      PHE  68  14.593  10.623   6.849
  509    HE1  PHE  68           HE2      PHE  68   9.776  11.129   5.704
  510    HE2  PHE  68           HE1      PHE  68  13.827  12.597   5.570
  511    HZ   PHE  68           HZ       PHE  68  11.412  12.888   5.042
  512    H    ASN  69           H        ASN  69  11.859   6.542   9.147
  513    HA   ASN  69           HA       ASN  69  13.885   4.944  10.596
  514    HB2  ASN  69           HB2      ASN  69  11.893   3.414  11.191
  515    HB3  ASN  69           HB3      ASN  69  12.186   4.833  12.191
  516   HD21  ASN  69          HD22      ASN  69  10.448   4.806   8.979
  517   HD22  ASN  69          HD21      ASN  69   8.917   5.291   9.680
  518    H    ALA  70           H        ALA  70  14.310   3.022   9.545
  519    HA   ALA  70           HA       ALA  70  13.808   3.032   6.679
  520    HB1  ALA  70           HB1      ALA  70  15.341   1.210   6.626
  521    HB2  ALA  70           HB2      ALA  70  15.965   2.331   7.843
  522    HB3  ALA  70           HB3      ALA  70  15.117   0.857   8.354
  523    H    ASP  71           H        ASP  71  12.349   1.503   9.455
  524    HA   ASP  71           HA       ASP  71  11.454  -0.911   8.362
  525    HB2  ASP  71           HB2      ASP  71  11.476  -0.386  10.758
  526    HB3  ASP  71           HB3      ASP  71  10.222   0.835  10.525
  527    H    ASP  72           H        ASP  72  10.206   2.327   7.801
  528    HA   ASP  72           HA       ASP  72   7.573   1.388   6.983
  529    HB2  ASP  72           HB2      ASP  72   7.936   3.424   8.373
  530    HB3  ASP  72           HB3      ASP  72   8.825   4.154   7.031
  531    H    TYR  73           H        TYR  73  10.689   1.827   5.579
  532    HA   TYR  73           HA       TYR  73   9.721   2.511   2.949
  533    HB2  TYR  73           HB2      TYR  73  12.483   2.212   4.133
  534    HB3  TYR  73           HB3      TYR  73  12.192   2.431   2.405
  535    HD1  TYR  73           HD2      TYR  73  11.104   4.461   1.533
  536    HD2  TYR  73           HD1      TYR  73  12.109   4.090   5.692
  537    HE1  TYR  73           HE2      TYR  73  10.526   6.829   1.869
  538    HE2  TYR  73           HE1      TYR  73  11.574   6.495   6.074
  539    HH   TYR  73           HH       TYR  73  10.263   8.530   3.383
  540    H    ASP  74           H        ASP  74   9.707   1.136   1.234
  541    HA   ASP  74           HA       ASP  74   9.898  -1.756   1.752
  542    HB2  ASP  74           HB2      ASP  74   7.994  -0.799   0.471
  543    HB3  ASP  74           HB3      ASP  74   9.135  -0.234  -0.759
  544    H    VAL  75           H        VAL  75  11.470   0.854  -0.093
  545    HA   VAL  75           HA       VAL  75  13.705  -0.983  -0.770
  546    HB   VAL  75           HB       VAL  75  12.444  -1.141  -2.629
  547   HG11  VAL  75          HG11      VAL  75  11.306   0.429  -3.977
  548   HG12  VAL  75          HG12      VAL  75  10.681   0.490  -2.327
  549   HG13  VAL  75          HG13      VAL  75  11.810   1.727  -2.901
  550   HG21  VAL  75          HG21      VAL  75  14.838  -0.364  -3.088
  551   HG22  VAL  75          HG22      VAL  75  13.697  -0.233  -4.434
  552   HG23  VAL  75          HG23      VAL  75  14.147   1.206  -3.496
  553    H    VAL  76           H        VAL  76  15.681  -0.178  -0.652
  554    HA   VAL  76           HA       VAL  76  15.949   2.713   0.008
  555    HB   VAL  76           HB       VAL  76  17.838   1.779   1.467
  556   HG11  VAL  76          HG11      VAL  76  15.910   2.932   2.336
  557   HG12  VAL  76          HG12      VAL  76  14.901   1.476   2.199
  558   HG13  VAL  76          HG13      VAL  76  16.239   1.528   3.367
  559   HG21  VAL  76          HG21      VAL  76  17.483  -0.415   2.477
  560   HG22  VAL  76          HG22      VAL  76  16.087  -0.698   1.440
  561   HG23  VAL  76          HG23      VAL  76  17.699  -0.597   0.730
  562    H    ILE  77           H        ILE  77  16.886   3.691  -1.547
  563    HA   ILE  77           HA       ILE  77  18.991   2.354  -3.142
  564    HB   ILE  77           HB       ILE  77  17.224   4.755  -3.724
  565   HG12  ILE  77          HG12      ILE  77  15.904   2.768  -3.938
  566   HG13  ILE  77          HG13      ILE  77  16.320   3.342  -5.545
  567   HG21  ILE  77          HG21      ILE  77  19.420   3.452  -5.380
  568   HG22  ILE  77          HG22      ILE  77  18.250   4.654  -5.985
  569   HG23  ILE  77          HG23      ILE  77  19.403   5.097  -4.736
  570   HD11  ILE  77          HD11      ILE  77  17.669   1.002  -4.110
  571   HD12  ILE  77          HD12      ILE  77  16.472   0.890  -5.416
  572   HD13  ILE  77          HD13      ILE  77  18.069   1.591  -5.734
  573    H    SER  78           H        SER  78  20.800   2.635  -2.065
  574    HA   SER  78           HA       SER  78  21.495   5.219  -0.835
  575    HB2  SER  78           HB2      SER  78  22.323   3.098   0.085
  576    HB3  SER  78           HB3      SER  78  23.082   2.740  -1.490
  577    HG   SER  78           HG       SER  78  24.607   4.121  -1.131
  578    H    LEU  79           H        LEU  79  23.121   6.446  -1.801
  579    HA   LEU  79           HA       LEU  79  24.281   5.918  -4.360
  580    HB2  LEU  79           HB2      LEU  79  23.255   8.392  -5.034
  581    HB3  LEU  79           HB3      LEU  79  22.829   6.853  -5.675
  582    HG   LEU  79           HG       LEU  79  20.933   6.845  -3.782
  583   HD11  LEU  79          HD11      LEU  79  20.187   8.987  -3.129
  584   HD12  LEU  79          HD12      LEU  79  21.935   8.976  -2.832
  585   HD13  LEU  79          HD13      LEU  79  21.292   9.811  -4.238
  586   HD21  LEU  79          HD21      LEU  79  20.453   6.811  -6.160
  587   HD22  LEU  79          HD22      LEU  79  19.434   8.023  -5.374
  588   HD23  LEU  79          HD23      LEU  79  20.844   8.535  -6.321
  589    H    CYS  80           H        CYS  80  25.468   5.816  -2.142
  590    HA   CYS  80           HA       CYS  80  26.423   8.411  -1.084
  591    HB2  CYS  80           HB2      CYS  80  27.134   5.506  -0.505
  592    HB3  CYS  80           HB3      CYS  80  27.911   6.910   0.260
  593    HG   CYS  80           HG       CYS  80  24.795   5.834   0.353
  594    H    GLY  81           H        GLY  81  27.550   5.782  -3.248
  595    HA2  GLY  81           HA2      GLY  81  28.986   6.317  -5.134
  596    HA3  GLY  81           HA3      GLY  81  29.752   7.592  -4.182
  597    H    CYS  82           H        CYS  82  31.512   5.916  -5.173
  598    HA   CYS  82           HA       CYS  82  32.756   4.020  -5.134
  599    HB2  CYS  82           HB2      CYS  82  33.089   5.498  -2.528
  600    HB3  CYS  82           HB3      CYS  82  34.284   4.312  -3.123
  601    HG   CYS  82           HG       CYS  82  35.159   6.746  -3.564
  602    H    GLY  83           H        GLY  83  30.121   3.177  -4.384
  603    HA2  GLY  83           HA2      GLY  83  29.046   1.353  -3.652
  604    HA3  GLY  83           HA3      GLY  83  30.612   0.512  -3.565
  605    H    VAL  84           H        VAL  84  29.922   3.422  -1.668
  606    HA   VAL  84           HA       VAL  84  30.248   2.180   0.881
  607    HB   VAL  84           HB       VAL  84  29.293   4.864  -0.027
  608   HG11  VAL  84          HG11      VAL  84  29.663   5.674   2.304
  609   HG12  VAL  84          HG12      VAL  84  28.296   4.581   2.173
  610   HG13  VAL  84          HG13      VAL  84  29.844   3.992   2.834
  611   HG21  VAL  84          HG21      VAL  84  31.697   4.384  -0.449
  612   HG22  VAL  84          HG22      VAL  84  31.499   5.636   0.773
  613   HG23  VAL  84          HG23      VAL  84  31.908   3.979   1.264
  614    H    ASN  85           H        ASN  85  28.499   2.193   2.495
  615    HA   ASN  85           HA       ASN  85  25.823   1.484   1.448
  616    HB2  ASN  85           HB2      ASN  85  27.631  -0.499   1.620
  617    HB3  ASN  85           HB3      ASN  85  27.236  -0.432   3.330
  618   HD21  ASN  85          HD22      ASN  85  26.527  -2.119   0.584
  619   HD22  ASN  85          HD21      ASN  85  24.853  -2.514   0.893
  620    H    LEU  86           H        LEU  86  24.588   0.652   3.616
  621    HA   LEU  86           HA       LEU  86  24.753   2.921   5.577
  622    HB2  LEU  86           HB2      LEU  86  22.266   1.564   4.489
  623    HB3  LEU  86           HB3      LEU  86  22.367   2.972   5.544
  624    HG   LEU  86           HG       LEU  86  23.184   2.823   2.607
  625   HD11  LEU  86          HD11      LEU  86  21.281   4.280   2.207
  626   HD12  LEU  86          HD12      LEU  86  20.750   2.796   3.009
  627   HD13  LEU  86          HD13      LEU  86  20.888   4.303   3.943
  628   HD21  LEU  86          HD21      LEU  86  23.256   5.219   4.494
  629   HD22  LEU  86          HD22      LEU  86  24.645   4.437   3.697
  630   HD23  LEU  86          HD23      LEU  86  23.451   5.284   2.725
  631    HA   PRO  87           HA       PRO  87  25.519  -0.965   7.902
  632    HB2  PRO  87           HB2      PRO  87  25.991   1.215   9.940
  633    HB3  PRO  87           HB3      PRO  87  26.848  -0.344   9.736
  634    HG2  PRO  87           HG2      PRO  87  27.930   1.945   8.766
  635    HG3  PRO  87           HG3      PRO  87  27.977   0.442   7.787
  636    HD2  PRO  87           HD2      PRO  87  26.115   2.803   7.519
  637    HD3  PRO  87           HD3      PRO  87  26.910   1.819   6.255
  638    HA   PRO  88           HA       PRO  88  22.099   0.264  11.011
  639    HB2  PRO  88           HB2      PRO  88  20.432   2.313   9.667
  640    HB3  PRO  88           HB3      PRO  88  21.017   2.287  11.348
  641    HG2  PRO  88           HG2      PRO  88  21.987   4.003   9.422
  642    HG3  PRO  88           HG3      PRO  88  22.995   3.372  10.769
  643    HD2  PRO  88           HD2      PRO  88  22.913   2.467   7.904
  644    HD3  PRO  88           HD3      PRO  88  24.297   2.607   9.013
  645    H    GLU  89           H        GLU  89  19.542   0.233  10.897
  646    HA   GLU  89           HA       GLU  89  18.466  -1.890   9.575
  647    HB2  GLU  89           HB2      GLU  89  16.279  -0.718  10.002
  648    HB3  GLU  89           HB3      GLU  89  17.350  -0.895  11.399
  649    HG2  GLU  89           HG2      GLU  89  18.022   1.461  11.238
  650    HG3  GLU  89           HG3      GLU  89  17.096   1.658   9.757
  651    H    TRP  90           H        TRP  90  19.180   1.115   8.126
  652    HA   TRP  90           HA       TRP  90  17.464   1.198   5.868
  653    HB2  TRP  90           HB2      TRP  90  20.232   2.340   6.390
  654    HB3  TRP  90           HB3      TRP  90  19.228   2.762   5.003
  655    HD1  TRP  90           HD1      TRP  90  19.888   3.895   8.438
  656    HE1  TRP  90           HE1      TRP  90  18.162   5.537   9.255
  657    HE3  TRP  90           HE3      TRP  90  16.600   3.440   4.589
  658    HZ2  TRP  90           HZ2      TRP  90  15.545   6.560   8.317
  659    HZ3  TRP  90           HZ3      TRP  90  14.526   4.797   4.522
  660    HH2  TRP  90           HH2      TRP  90  13.983   6.327   6.386
  661    H    VAL  91           H        VAL  91  19.388  -1.276   6.538
  662    HA   VAL  91           HA       VAL  91  19.683  -1.888   3.666
  663    HB   VAL  91           HB       VAL  91  21.800  -1.321   4.879
  664   HG11  VAL  91          HG11      VAL  91  21.676  -4.127   6.043
  665   HG12  VAL  91          HG12      VAL  91  22.923  -2.883   6.286
  666   HG13  VAL  91          HG13      VAL  91  21.319  -2.667   6.977
  667   HG21  VAL  91          HG21      VAL  91  23.170  -2.969   3.742
  668   HG22  VAL  91          HG22      VAL  91  21.747  -3.983   3.443
  669   HG23  VAL  91          HG23      VAL  91  21.865  -2.361   2.719
  670    H    THR  92           H        THR  92  17.513  -2.493   5.752
  671    HA   THR  92           HA       THR  92  17.547  -5.439   5.440
  672    HB   THR  92           HB       THR  92  16.628  -5.676   7.680
  673    HG1  THR  92           HG1      THR  92  16.876  -2.846   7.811
  674   HG21  THR  92          HG21      THR  92  19.103  -3.902   7.829
  675   HG22  THR  92          HG22      THR  92  18.553  -5.101   9.015
  676   HG23  THR  92          HG23      THR  92  19.110  -5.633   7.420
  677    H    GLN  93           H        GLN  93  16.193  -3.329   3.874
  678    HA   GLN  93           HA       GLN  93  13.337  -4.073   4.141
  679    HB2  GLN  93           HB2      GLN  93  14.749  -2.009   2.413
  680    HB3  GLN  93           HB3      GLN  93  13.017  -2.301   2.448
  681    HG2  GLN  93           HG2      GLN  93  13.488  -0.338   3.729
  682    HG3  GLN  93           HG3      GLN  93  12.837  -1.626   4.746
  683   HE21  GLN  93          HE22      GLN  93  13.786  -1.685   6.716
  684   HE22  GLN  93          HE21      GLN  93  15.492  -1.340   7.012
  685    H    GLU  94           H        GLU  94  12.448  -4.039   1.534
  686    HA   GLU  94           HA       GLU  94  13.192  -6.685   0.761
  687    HB2  GLU  94           HB2      GLU  94  11.446  -4.648  -0.667
  688    HB3  GLU  94           HB3      GLU  94  11.688  -6.324  -1.175
  689    HG2  GLU  94           HG2      GLU  94  10.887  -7.040   1.138
  690    HG3  GLU  94           HG3      GLU  94  10.383  -5.369   1.397
  691    H    ILE  95           H        ILE  95  14.125  -3.483  -0.488
  692    HA   ILE  95           HA       ILE  95  15.960  -4.859  -2.441
  693    HB   ILE  95           HB       ILE  95  14.143  -2.515  -2.835
  694   HG12  ILE  95          HG12      ILE  95  14.237  -5.357  -3.913
  695   HG13  ILE  95          HG13      ILE  95  12.911  -4.538  -3.078
  696   HG21  ILE  95          HG21      ILE  95  16.364  -2.080  -3.932
  697   HG22  ILE  95          HG22      ILE  95  16.244  -3.646  -4.765
  698   HG23  ILE  95          HG23      ILE  95  15.115  -2.321  -5.126
  699   HD11  ILE  95          HD11      ILE  95  12.673  -3.046  -5.091
  700   HD12  ILE  95          HD12      ILE  95  13.866  -4.105  -5.905
  701   HD13  ILE  95          HD13      ILE  95  12.315  -4.771  -5.365
  702    H    PHE  96           H        PHE  96  18.055  -3.979  -2.412
  703    HA   PHE  96           HA       PHE  96  18.467  -1.323  -1.371
  704    HB2  PHE  96           HB2      PHE  96  19.068  -2.652   0.589
  705    HB3  PHE  96           HB3      PHE  96  20.054  -3.728  -0.403
  706    HD1  PHE  96           HD1      PHE  96  22.221  -2.955  -1.372
  707    HD2  PHE  96           HD2      PHE  96  19.865  -0.362   1.150
  708    HE1  PHE  96           HE1      PHE  96  24.033  -1.262  -1.405
  709    HE2  PHE  96           HE2      PHE  96  21.708   1.269   1.187
  710    HZ   PHE  96           HZ       PHE  96  23.806   0.829  -0.081
  711    H    GLU  97           H        GLU  97  19.937  -0.264  -2.622
  712    HA   GLU  97           HA       GLU  97  21.962  -1.683  -4.168
  713    HB2  GLU  97           HB2      GLU  97  19.819   0.080  -5.447
  714    HB3  GLU  97           HB3      GLU  97  21.432  -0.096  -6.144
  715    HG2  GLU  97           HG2      GLU  97  21.149  -2.536  -6.227
  716    HG3  GLU  97           HG3      GLU  97  19.448  -2.346  -5.735
  717    H    ASP  98           H        ASP  98  23.606  -0.155  -4.793
  718    HA   ASP  98           HA       ASP  98  23.416   2.549  -3.652
  719    HB2  ASP  98           HB2      ASP  98  24.991   1.402  -2.220
  720    HB3  ASP  98           HB3      ASP  98  25.964   0.941  -3.624
  721    H    TRP  99           H        TRP  99  23.045   3.783  -5.398
  722    HA   TRP  99           HA       TRP  99  24.088   3.044  -8.035
  723    HB2  TRP  99           HB2      TRP  99  22.432   5.447  -7.197
  724    HB3  TRP  99           HB3      TRP  99  22.814   4.975  -8.824
  725    HD1  TRP  99           HD1      TRP  99  21.968   1.739  -7.421
  726    HE1  TRP  99           HE1      TRP  99  19.534   1.123  -7.854
  727    HE3  TRP  99           HE3      TRP  99  20.214   6.399  -8.536
  728    HZ2  TRP  99           HZ2      TRP  99  17.014   2.563  -8.439
  729    HZ3  TRP  99           HZ3      TRP  99  17.802   6.767  -8.947
  730    HH2  TRP  99           HH2      TRP  99  16.227   4.869  -8.882
  731    H    GLN 100           H        GLN 100  26.308   3.165  -7.744
  732    HA   GLN 100           HA       GLN 100  27.750   5.414  -6.811
  733    HB2  GLN 100           HB2      GLN 100  28.645   3.107  -7.069
  734    HB3  GLN 100           HB3      GLN 100  28.568   3.270  -8.827
  735    HG2  GLN 100           HG2      GLN 100  30.147   5.260  -8.625
  736    HG3  GLN 100           HG3      GLN 100  30.294   4.890  -6.908
  737   HE21  GLN 100          HE22      GLN 100  30.690   2.182  -6.701
  738   HE22  GLN 100          HE21      GLN 100  32.065   1.693  -7.649
  739    H    LEU 101           H        LEU 101  27.272   7.432  -7.663
  740    HA   LEU 101           HA       LEU 101  27.727   7.941 -10.555
  741    HB2  LEU 101           HB2      LEU 101  25.399   8.591  -8.671
  742    HB3  LEU 101           HB3      LEU 101  25.902   9.848  -9.721
  743    HG   LEU 101           HG       LEU 101  24.167   8.906 -10.797
  744   HD11  LEU 101          HD11      LEU 101  26.435   7.508 -12.257
  745   HD12  LEU 101          HD12      LEU 101  25.003   8.279 -12.934
  746   HD13  LEU 101          HD13      LEU 101  26.265   9.276 -12.232
  747   HD21  LEU 101          HD21      LEU 101  25.253   6.092 -10.619
  748   HD22  LEU 101          HD22      LEU 101  24.003   6.792  -9.566
  749   HD23  LEU 101          HD23      LEU 101  23.708   6.622 -11.304
  750    H    GLU 102           H        GLU 102  28.020  10.435 -10.775
  751    HA   GLU 102           HA       GLU 102  29.844  11.450  -8.773
  752    HB2  GLU 102           HB2      GLU 102  28.585  12.531 -11.313
  753    HB3  GLU 102           HB3      GLU 102  29.548  13.557 -10.244
  754    HG2  GLU 102           HG2      GLU 102  30.539  11.001 -11.579
  755    HG3  GLU 102           HG3      GLU 102  30.813  12.627 -12.195
  756    H    ASP 103           H        ASP 103  29.179  13.487  -7.586
  757    HA   ASP 103           HA       ASP 103  26.220  13.614  -7.250
  758    HB2  ASP 103           HB2      ASP 103  26.848  12.763  -5.292
  759    HB3  ASP 103           HB3      ASP 103  28.091  14.000  -5.002
  760    HA   PRO 104           HA       PRO 104  27.278  17.004  -9.805
  761    HB2  PRO 104           HB2      PRO 104  24.458  17.779  -9.170
  762    HB3  PRO 104           HB3      PRO 104  25.343  17.776 -10.744
  763    HG2  PRO 104           HG2      PRO 104  23.702  15.737 -10.006
  764    HG3  PRO 104           HG3      PRO 104  25.212  15.485 -10.955
  765    HD2  PRO 104           HD2      PRO 104  24.659  14.805  -8.116
  766    HD3  PRO 104           HD3      PRO 104  25.869  14.155  -9.250
  767    H    ASP 105           H        ASP 105  26.983  17.570  -6.548
  768    HA   ASP 105           HA       ASP 105  26.690  20.348  -6.245
  769    HB2  ASP 105           HB2      ASP 105  26.844  18.851  -4.368
  770    HB3  ASP 105           HB3      ASP 105  28.520  18.450  -4.765
  771    H    GLY 106           H        GLY 106  27.511  21.526  -7.859
  772    HA2  GLY 106           HA2      GLY 106  28.972  23.269  -8.327
  773    HA3  GLY 106           HA3      GLY 106  30.268  22.443  -7.451
  774    H    GLN 107           H        GLN 107  28.481  20.554  -9.857
  775    HA   GLN 107           HA       GLN 107  31.055  20.279 -11.277
  776    HB2  GLN 107           HB2      GLN 107  28.553  18.643 -11.690
  777    HB3  GLN 107           HB3      GLN 107  30.217  18.214 -12.092
  778    HG2  GLN 107           HG2      GLN 107  29.142  18.547  -9.278
  779    HG3  GLN 107           HG3      GLN 107  29.285  17.018 -10.165
  780   HE21  GLN 107          HE22      GLN 107  30.298  16.752  -7.900
  781   HE22  GLN 107          HE21      GLN 107  32.049  16.884  -7.882
  782    H    SER 108           H        SER 108  30.667  19.546 -13.679
  783    HA   SER 108           HA       SER 108  29.800  21.859 -15.204
  784    HB2  SER 108           HB2      SER 108  30.763  19.064 -15.951
  785    HB3  SER 108           HB3      SER 108  30.646  20.442 -17.073
  786    HG   SER 108           HG       SER 108  32.775  20.162 -16.263
  787    H    LEU 109           H        LEU 109  28.079  21.812 -16.819
  788    HA   LEU 109           HA       LEU 109  25.717  20.483 -16.063
  789    HB2  LEU 109           HB2      LEU 109  26.532  21.672 -18.738
  790    HB3  LEU 109           HB3      LEU 109  24.914  21.050 -18.417
  791    HG   LEU 109           HG       LEU 109  26.206  23.260 -16.774
  792   HD11  LEU 109          HD11      LEU 109  24.763  24.815 -18.043
  793   HD12  LEU 109          HD12      LEU 109  25.903  23.986 -19.112
  794   HD13  LEU 109          HD13      LEU 109  24.202  23.473 -19.067
  795   HD21  LEU 109          HD21      LEU 109  23.312  22.293 -16.956
  796   HD22  LEU 109          HD22      LEU 109  24.395  22.105 -15.559
  797   HD23  LEU 109          HD23      LEU 109  23.867  23.713 -16.047
  798    H    GLU 110           H        GLU 110  28.285  19.365 -18.231
  799    HA   GLU 110           HA       GLU 110  26.901  17.143 -19.319
  800    HB2  GLU 110           HB2      GLU 110  29.858  17.534 -18.686
  801    HB3  GLU 110           HB3      GLU 110  29.201  16.178 -19.617
  802    HG2  GLU 110           HG2      GLU 110  28.251  17.782 -21.273
  803    HG3  GLU 110           HG3      GLU 110  28.974  19.122 -20.381
  804    H    VAL 111           H        VAL 111  28.553  17.566 -16.155
  805    HA   VAL 111           HA       VAL 111  28.386  14.758 -15.438
  806    HB   VAL 111           HB       VAL 111  28.810  17.233 -13.744
  807   HG11  VAL 111          HG11      VAL 111  27.979  15.500 -12.279
  808   HG12  VAL 111          HG12      VAL 111  29.039  14.286 -13.036
  809   HG13  VAL 111          HG13      VAL 111  29.729  15.593 -12.054
  810   HG21  VAL 111          HG21      VAL 111  30.790  15.158 -14.794
  811   HG22  VAL 111          HG22      VAL 111  30.650  16.827 -15.375
  812   HG23  VAL 111          HG23      VAL 111  31.185  16.517 -13.722
  813    H    PHE 112           H        PHE 112  26.492  17.745 -14.728
  814    HA   PHE 112           HA       PHE 112  24.446  16.589 -13.176
  815    HB2  PHE 112           HB2      PHE 112  24.553  18.939 -15.072
  816    HB3  PHE 112           HB3      PHE 112  23.021  18.397 -14.441
  817    HD1  PHE 112           HD1      PHE 112  22.376  18.573 -12.121
  818    HD2  PHE 112           HD2      PHE 112  26.195  20.000 -13.544
  819    HE1  PHE 112           HE1      PHE 112  22.751  19.741  -9.966
  820    HE2  PHE 112           HE2      PHE 112  26.566  21.146 -11.384
  821    HZ   PHE 112           HZ       PHE 112  24.898  20.947  -9.588
  822    H    ARG 113           H        ARG 113  24.379  17.073 -16.771
  823    HA   ARG 113           HA       ARG 113  22.053  15.571 -17.211
  824    HB2  ARG 113           HB2      ARG 113  24.455  16.183 -18.979
  825    HB3  ARG 113           HB3      ARG 113  23.048  15.290 -19.590
  826    HG2  ARG 113           HG2      ARG 113  21.542  17.089 -19.137
  827    HG3  ARG 113           HG3      ARG 113  22.762  17.918 -18.152
  828    HD2  ARG 113           HD2      ARG 113  23.920  18.763 -19.822
  829    HD3  ARG 113           HD3      ARG 113  23.359  17.564 -21.036
  830    HE   ARG 113           HE       ARG 113  21.104  19.052 -20.206
  831   HH11  ARG 113          HH21      ARG 113  24.186  19.665 -21.901
  832   HH12  ARG 113          HH22      ARG 113  23.583  21.003 -22.803
  833   HH21  ARG 113          HH11      ARG 113  20.310  20.824 -21.408
  834   HH22  ARG 113          HH12      ARG 113  21.332  21.674 -22.527
  835    H    THR 114           H        THR 114  25.453  14.267 -17.031
  836    HA   THR 114           HA       THR 114  24.744  11.669 -17.866
  837    HB   THR 114           HB       THR 114  26.955  12.731 -16.042
  838    HG1  THR 114           HG1      THR 114  27.139  13.634 -18.006
  839   HG21  THR 114          HG21      THR 114  26.709  10.089 -17.515
  840   HG22  THR 114          HG22      THR 114  28.193  10.705 -16.734
  841   HG23  THR 114          HG23      THR 114  26.766  10.335 -15.750
  842    H    VAL 115           H        VAL 115  25.035  13.085 -14.526
  843    HA   VAL 115           HA       VAL 115  24.184  10.713 -13.207
  844    HB   VAL 115           HB       VAL 115  24.155  13.610 -12.403
  845   HG11  VAL 115          HG11      VAL 115  22.587  12.462 -10.920
  846   HG12  VAL 115          HG12      VAL 115  23.769  11.173 -10.621
  847   HG13  VAL 115          HG13      VAL 115  24.069  12.811 -10.027
  848   HG21  VAL 115          HG21      VAL 115  26.109  11.429 -11.588
  849   HG22  VAL 115          HG22      VAL 115  26.434  12.614 -12.864
  850   HG23  VAL 115          HG23      VAL 115  26.213  13.150 -11.202
  851    H    ARG 116           H        ARG 116  22.318  13.622 -14.310
  852    HA   ARG 116           HA       ARG 116  19.853  12.820 -13.243
  853    HB2  ARG 116           HB2      ARG 116  20.341  15.055 -14.366
  854    HB3  ARG 116           HB3      ARG 116  20.289  14.225 -15.925
  855    HG2  ARG 116           HG2      ARG 116  17.920  13.345 -14.831
  856    HG3  ARG 116           HG3      ARG 116  18.133  14.827 -13.933
  857    HD2  ARG 116           HD2      ARG 116  16.613  14.755 -15.961
  858    HD3  ARG 116           HD3      ARG 116  17.693  16.132 -15.843
  859    HE   ARG 116           HE       ARG 116  18.274  13.732 -17.555
  860   HH11  ARG 116          HH11      ARG 116  17.815  17.232 -17.356
  861   HH12  ARG 116          HH12      ARG 116  18.838  17.609 -18.709
  862   HH21  ARG 116          HH21      ARG 116  19.449  14.198 -19.511
  863   HH22  ARG 116          HH22      ARG 116  19.560  15.824 -20.072
  864    H    GLY 117           H        GLY 117  21.295  12.051 -16.456
  865    HA2  GLY 117           HA2      GLY 117  19.084  10.579 -17.406
  866    HA3  GLY 117           HA3      GLY 117  20.771  10.402 -17.974
  867    H    GLN 118           H        GLN 118  22.068   9.389 -15.679
  868    HA   GLN 118           HA       GLN 118  21.256   6.670 -15.723
  869    HB2  GLN 118           HB2      GLN 118  23.021   8.199 -13.782
  870    HB3  GLN 118           HB3      GLN 118  22.746   6.462 -13.715
  871    HG2  GLN 118           HG2      GLN 118  23.531   6.617 -16.303
  872    HG3  GLN 118           HG3      GLN 118  24.325   8.072 -15.689
  873   HE21  GLN 118          HE22      GLN 118  26.493   7.295 -15.828
  874   HE22  GLN 118          HE21      GLN 118  27.072   5.948 -14.883
  875    H    VAL 119           H        VAL 119  20.941   9.112 -13.121
  876    HA   VAL 119           HA       VAL 119  19.513   7.569 -11.290
  877    HB   VAL 119           HB       VAL 119  19.414  10.575 -11.831
  878   HG11  VAL 119          HG11      VAL 119  18.525  10.811  -9.533
  879   HG12  VAL 119          HG12      VAL 119  17.372  10.029 -10.620
  880   HG13  VAL 119          HG13      VAL 119  18.286   9.050  -9.456
  881   HG21  VAL 119          HG21      VAL 119  21.627   9.528 -11.029
  882   HG22  VAL 119          HG22      VAL 119  20.926  10.678  -9.885
  883   HG23  VAL 119          HG23      VAL 119  20.768   8.932  -9.608
  884    H    LYS 120           H        LYS 120  18.104   9.494 -14.061
  885    HA   LYS 120           HA       LYS 120  15.417   8.855 -13.321
  886    HB2  LYS 120           HB2      LYS 120  15.947  10.708 -14.824
  887    HB3  LYS 120           HB3      LYS 120  16.712   9.609 -15.984
  888    HG2  LYS 120           HG2      LYS 120  14.546   8.522 -16.427
  889    HG3  LYS 120           HG3      LYS 120  13.758   9.586 -15.241
  890    HD2  LYS 120           HD2      LYS 120  14.317  11.553 -16.581
  891    HD3  LYS 120           HD3      LYS 120  15.221  10.569 -17.741
  892    HE2  LYS 120           HE2      LYS 120  12.256  10.210 -17.127
  893    HE3  LYS 120           HE3      LYS 120  12.874  11.225 -18.439
  894    HZ1  LYS 120           HZ1      LYS 120  13.198   8.276 -18.217
  895    HZ2  LYS 120           HZ2      LYS 120  12.296   9.093 -19.298
  896    HZ3  LYS 120           HZ3      LYS 120  13.917   9.209 -19.372
  897    H    GLU 121           H        GLU 121  17.655   7.302 -15.626
  898    HA   GLU 121           HA       GLU 121  15.966   5.211 -16.498
  899    HB2  GLU 121           HB2      GLU 121  17.842   5.217 -17.781
  900    HB3  GLU 121           HB3      GLU 121  18.810   5.954 -16.500
  901    HG2  GLU 121           HG2      GLU 121  19.419   4.017 -15.508
  902    HG3  GLU 121           HG3      GLU 121  18.265   3.013 -16.426
  903    H    ARG 122           H        ARG 122  18.090   5.468 -13.639
  904    HA   ARG 122           HA       ARG 122  17.687   2.719 -12.860
  905    HB2  ARG 122           HB2      ARG 122  18.821   5.129 -11.412
  906    HB3  ARG 122           HB3      ARG 122  18.781   3.488 -10.751
  907    HG2  ARG 122           HG2      ARG 122  20.302   2.614 -12.290
  908    HG3  ARG 122           HG3      ARG 122  20.168   3.995 -13.381
  909    HD2  ARG 122           HD2      ARG 122  21.166   5.476 -11.681
  910    HD3  ARG 122           HD3      ARG 122  21.311   4.123 -10.565
  911    HE   ARG 122           HE       ARG 122  22.937   4.665 -12.974
  912   HH11  ARG 122          HH11      ARG 122  22.250   2.324 -10.386
  913   HH12  ARG 122          HH12      ARG 122  23.785   1.544 -10.522
  914   HH21  ARG 122          HH21      ARG 122  24.941   3.755 -13.076
  915   HH22  ARG 122          HH22      ARG 122  25.382   2.384 -12.099
  916    H    VAL 123           H        VAL 123  16.165   5.832 -11.600
  917    HA   VAL 123           HA       VAL 123  14.321   4.675  -9.908
  918    HB   VAL 123           HB       VAL 123  14.106   7.053 -11.790
  919   HG11  VAL 123          HG11      VAL 123  12.174   6.240  -9.576
  920   HG12  VAL 123          HG12      VAL 123  12.212   7.811 -10.416
  921   HG13  VAL 123          HG13      VAL 123  11.817   6.352 -11.314
  922   HG21  VAL 123          HG21      VAL 123  14.432   8.371  -9.748
  923   HG22  VAL 123          HG22      VAL 123  14.481   6.894  -8.771
  924   HG23  VAL 123          HG23      VAL 123  15.771   7.238  -9.922
  925    H    GLU 124           H        GLU 124  13.998   5.072 -13.541
  926    HA   GLU 124           HA       GLU 124  11.494   3.782 -13.667
  927    HB2  GLU 124           HB2      GLU 124  13.721   3.925 -15.754
  928    HB3  GLU 124           HB3      GLU 124  12.130   3.237 -16.065
  929    HG2  GLU 124           HG2      GLU 124  11.078   5.415 -15.514
  930    HG3  GLU 124           HG3      GLU 124  12.688   6.106 -15.260
  931    H    ASN 125           H        ASN 125  14.761   2.438 -13.718
  932    HA   ASN 125           HA       ASN 125  14.080  -0.237 -14.330
  933    HB2  ASN 125           HB2      ASN 125  16.413   1.010 -14.210
  934    HB3  ASN 125           HB3      ASN 125  16.430   0.452 -12.542
  935   HD21  ASN 125          HD22      ASN 125  16.903  -0.366 -15.854
  936   HD22  ASN 125          HD21      ASN 125  17.225  -2.071 -15.635
  937    H    LEU 126           H        LEU 126  14.509   1.430 -11.227
  938    HA   LEU 126           HA       LEU 126  13.956  -0.810  -9.591
  939    HB2  LEU 126           HB2      LEU 126  14.509   0.444  -7.876
  940    HB3  LEU 126           HB3      LEU 126  14.968   1.625  -9.074
  941    HG   LEU 126           HG       LEU 126  12.517   2.478  -8.835
  942   HD11  LEU 126          HD11      LEU 126  12.853   1.194  -6.082
  943   HD12  LEU 126          HD12      LEU 126  11.465   2.136  -6.665
  944   HD13  LEU 126          HD13      LEU 126  11.807   0.524  -7.318
  945   HD21  LEU 126          HD21      LEU 126  14.605   3.653  -8.061
  946   HD22  LEU 126          HD22      LEU 126  13.146   4.024  -7.137
  947   HD23  LEU 126          HD23      LEU 126  14.369   2.909  -6.479
  948    H    ILE 127           H        ILE 127  11.786   1.730 -10.797
  949    HA   ILE 127           HA       ILE 127   9.365   0.732  -9.686
  950    HB   ILE 127           HB       ILE 127  10.084   2.363 -12.146
  951   HG12  ILE 127          HG12      ILE 127   8.647   3.277  -9.611
  952   HG13  ILE 127          HG13      ILE 127  10.402   3.297  -9.741
  953   HG21  ILE 127          HG21      ILE 127   8.032   1.397 -12.762
  954   HG22  ILE 127          HG22      ILE 127   7.327   1.589 -11.142
  955   HG23  ILE 127          HG23      ILE 127   7.608   3.000 -12.201
  956   HD11  ILE 127          HD11      ILE 127   8.490   4.867 -11.516
  957   HD12  ILE 127          HD12      ILE 127   9.587   5.501 -10.282
  958   HD13  ILE 127          HD13      ILE 127  10.236   4.762 -11.761
  959    H    ALA 128           H        ALA 128  11.115  -0.224 -12.701
  960    HA   ALA 128           HA       ALA 128   8.945  -1.607 -13.848
  961    HB1  ALA 128           HB1      ALA 128  10.616  -2.752 -15.235
  962    HB2  ALA 128           HB2      ALA 128  11.019  -1.032 -15.073
  963    HB3  ALA 128           HB3      ALA 128  11.913  -2.253 -14.134
  964    H    LYS 129           H        LYS 129  11.251  -2.627 -11.420
  965    HA   LYS 129           HA       LYS 129  10.724  -5.406 -11.332
  966    HB2  LYS 129           HB2      LYS 129  11.733  -3.458  -9.266
  967    HB3  LYS 129           HB3      LYS 129  11.826  -5.217  -9.091
  968    HG2  LYS 129           HG2      LYS 129  13.300  -5.405 -11.019
  969    HG3  LYS 129           HG3      LYS 129  13.083  -3.700 -11.417
  970    HD2  LYS 129           HD2      LYS 129  13.979  -3.284  -8.975
  971    HD3  LYS 129           HD3      LYS 129  14.647  -4.914  -9.149
  972    HE2  LYS 129           HE2      LYS 129  15.103  -2.502 -10.975
  973    HE3  LYS 129           HE3      LYS 129  16.263  -3.107  -9.792
  974    HZ1  LYS 129           HZ1      LYS 129  16.639  -3.750 -12.141
  975    HZ2  LYS 129           HZ2      LYS 129  16.594  -5.044 -11.118
  976    HZ3  LYS 129           HZ3      LYS 129  15.326  -4.702 -12.106
  977    H    ILE 130           H        ILE 130   8.891  -2.687 -10.005
  978    HA   ILE 130           HA       ILE 130   7.359  -4.445  -8.254
  979    HB   ILE 130           HB       ILE 130   7.093  -2.246  -7.006
  980   HG12  ILE 130          HG12      ILE 130   9.237  -1.312  -8.833
  981   HG13  ILE 130          HG13      ILE 130   7.660  -0.589  -8.526
  982   HG21  ILE 130          HG21      ILE 130   9.204  -2.676  -5.785
  983   HG22  ILE 130          HG22      ILE 130   8.659  -4.223  -6.435
  984   HG23  ILE 130          HG23      ILE 130   9.945  -3.322  -7.265
  985   HD11  ILE 130          HD11      ILE 130   8.463  -0.138  -6.168
  986   HD12  ILE 130          HD12      ILE 130  10.062  -0.730  -6.664
  987   HD13  ILE 130          HD13      ILE 130   9.403   0.705  -7.442
  988    H    SER 131           H        SER 131   7.074  -2.128 -10.746
  989    HA   SER 131           HA       SER 131   4.563  -1.112 -10.736
  990    HB2  SER 131           HB2      SER 131   5.965  -2.452 -13.080
  991    HB3  SER 131           HB3      SER 131   4.536  -1.413 -13.220
  992    HG   SER 131           HG       SER 131   7.063  -0.684 -12.117
  Start of MODEL    3
    1    H    MET   1           H        MET   1   1.269  -0.978  -3.340
    2    HA   MET   1           HA       MET   1   2.179   1.057  -4.146
    3    HB2  MET   1           HB2      MET   1   0.586   2.618  -3.264
    4    HB3  MET   1           HB3      MET   1   0.978   2.208  -1.590
    5    HG2  MET   1           HG2      MET   1   3.103   3.271  -1.703
    6    HG3  MET   1           HG3      MET   1   3.037   3.420  -3.449
    7    HE1  MET   1           HE1      MET   1   0.677   6.401  -4.140
    8    HE2  MET   1           HE2      MET   1   1.934   5.344  -4.805
    9    HE3  MET   1           HE3      MET   1   0.359   4.667  -4.332
   10    H    LYS   2           H        LYS   2   4.350   1.509  -3.745
   11    HA   LYS   2           HA       LYS   2   5.558   0.244  -1.297
   12    HB2  LYS   2           HB2      LYS   2   6.447   0.298  -4.189
   13    HB3  LYS   2           HB3      LYS   2   7.675   0.555  -2.954
   14    HG2  LYS   2           HG2      LYS   2   7.769  -1.702  -3.233
   15    HG3  LYS   2           HG3      LYS   2   6.741  -1.533  -1.800
   16    HD2  LYS   2           HD2      LYS   2   4.741  -1.792  -3.383
   17    HD3  LYS   2           HD3      LYS   2   5.904  -2.285  -4.615
   18    HE2  LYS   2           HE2      LYS   2   5.344  -3.604  -1.918
   19    HE3  LYS   2           HE3      LYS   2   4.990  -4.268  -3.512
   20    HZ1  LYS   2           HZ1      LYS   2   7.708  -3.836  -2.366
   21    HZ2  LYS   2           HZ2      LYS   2   6.954  -5.270  -2.574
   22    HZ3  LYS   2           HZ3      LYS   2   7.407  -4.414  -3.884
   23    H    LYS   3           H        LYS   3   6.872   1.493  -0.041
   24    HA   LYS   3           HA       LYS   3   7.132   4.362  -0.782
   25    HB2  LYS   3           HB2      LYS   3   7.247   2.799   1.804
   26    HB3  LYS   3           HB3      LYS   3   8.276   4.214   1.680
   27    HG2  LYS   3           HG2      LYS   3   6.473   5.659   0.990
   28    HG3  LYS   3           HG3      LYS   3   5.316   4.310   0.957
   29    HD2  LYS   3           HD2      LYS   3   5.471   4.043   3.362
   30    HD3  LYS   3           HD3      LYS   3   6.828   5.197   3.444
   31    HE2  LYS   3           HE2      LYS   3   5.382   7.005   2.667
   32    HE3  LYS   3           HE3      LYS   3   4.007   5.895   2.529
   33    HZ1  LYS   3           HZ1      LYS   3   4.050   5.591   4.894
   34    HZ2  LYS   3           HZ2      LYS   3   5.451   6.404   5.065
   35    HZ3  LYS   3           HZ3      LYS   3   4.071   7.207   4.634
   36    H    VAL   4           H        VAL   4   8.965   5.088  -1.684
   37    HA   VAL   4           HA       VAL   4  11.366   3.365  -1.467
   38    HB   VAL   4           HB       VAL   4  10.418   3.543  -3.671
   39   HG11  VAL   4          HG11      VAL   4   9.341   5.703  -3.727
   40   HG12  VAL   4          HG12      VAL   4  10.925   6.511  -3.611
   41   HG13  VAL   4          HG13      VAL   4  10.516   5.560  -5.042
   42   HG21  VAL   4          HG21      VAL   4  13.029   5.134  -3.563
   43   HG22  VAL   4          HG22      VAL   4  12.944   3.391  -3.301
   44   HG23  VAL   4          HG23      VAL   4  12.468   4.067  -4.862
   45    H    MET   5           H        MET   5  13.147   4.133  -0.638
   46    HA   MET   5           HA       MET   5  13.298   7.084  -0.024
   47    HB2  MET   5           HB2      MET   5  13.332   5.729   2.021
   48    HB3  MET   5           HB3      MET   5  14.682   4.776   1.391
   49    HG2  MET   5           HG2      MET   5  15.511   6.458   2.952
   50    HG3  MET   5           HG3      MET   5  16.086   6.797   1.338
   51    HE1  MET   5           HE1      MET   5  13.444   9.397   4.004
   52    HE2  MET   5           HE2      MET   5  13.318   7.623   3.937
   53    HE3  MET   5           HE3      MET   5  14.830   8.384   4.469
   54    H    PHE   6           H        PHE   6  15.050   8.218  -0.824
   55    HA   PHE   6           HA       PHE   6  17.202   6.680  -2.215
   56    HB2  PHE   6           HB2      PHE   6  16.207   9.442  -2.878
   57    HB3  PHE   6           HB3      PHE   6  17.605   8.607  -3.583
   58    HD1  PHE   6           HD2      PHE   6  17.325   6.679  -5.093
   59    HD2  PHE   6           HD1      PHE   6  13.926   8.804  -3.482
   60    HE1  PHE   6           HE2      PHE   6  15.870   5.648  -6.837
   61    HE2  PHE   6           HE1      PHE   6  12.478   7.622  -5.179
   62    HZ   PHE   6           HZ       PHE   6  13.445   6.141  -6.853
   63    H    VAL   7           H        VAL   7  19.299   7.122  -1.316
   64    HA   VAL   7           HA       VAL   7  19.545   9.346   0.671
   65    HB   VAL   7           HB       VAL   7  20.718   6.547   1.026
   66   HG11  VAL   7          HG11      VAL   7  21.103   7.221   3.300
   67   HG12  VAL   7          HG12      VAL   7  21.773   8.454   2.256
   68   HG13  VAL   7          HG13      VAL   7  20.215   8.745   3.069
   69   HG21  VAL   7          HG21      VAL   7  18.085   7.452   2.193
   70   HG22  VAL   7          HG22      VAL   7  18.385   6.071   1.109
   71   HG23  VAL   7          HG23      VAL   7  19.024   6.055   2.754
   72    H    CYS   8           H        CYS   8  21.528  10.504   0.281
   73    HA   CYS   8           HA       CYS   8  23.726   8.887  -0.908
   74    HB2  CYS   8           HB2      CYS   8  24.414  11.289  -1.934
   75    HB3  CYS   8           HB3      CYS   8  23.525  10.051  -2.814
   76    HG   CYS   8           HG       CYS   8  22.786  12.986  -1.837
   77    H    LYS   9           H        LYS   9  25.883   9.839  -0.503
   78    HA   LYS   9           HA       LYS   9  26.173  10.283   2.276
   79    HB2  LYS   9           HB2      LYS   9  28.531  10.474   1.852
   80    HB3  LYS   9           HB3      LYS   9  27.810   9.141   0.949
   81    HG2  LYS   9           HG2      LYS   9  27.836  10.570  -1.119
   82    HG3  LYS   9           HG3      LYS   9  28.698  11.828  -0.199
   83    HD2  LYS   9           HD2      LYS   9  30.498  10.201   0.327
   84    HD3  LYS   9           HD3      LYS   9  29.584   8.928  -0.487
   85    HE2  LYS   9           HE2      LYS   9  31.442   9.619  -1.804
   86    HE3  LYS   9           HE3      LYS   9  29.928   9.903  -2.652
   87    HZ1  LYS   9           HZ1      LYS   9  31.624  11.727  -2.786
   88    HZ2  LYS   9           HZ2      LYS   9  30.146  12.230  -2.366
   89    HZ3  LYS   9           HZ3      LYS   9  31.339  12.085  -1.222
   90    H    ARG  10           H        ARG  10  25.164  12.487  -0.024
   91    HA   ARG  10           HA       ARG  10  25.018  14.602   1.845
   92    HB2  ARG  10           HB2      ARG  10  25.958  16.330   0.337
   93    HB3  ARG  10           HB3      ARG  10  27.167  15.275   1.055
   94    HG2  ARG  10           HG2      ARG  10  27.273  14.004  -1.172
   95    HG3  ARG  10           HG3      ARG  10  26.247  15.268  -1.859
   96    HD2  ARG  10           HD2      ARG  10  28.979  15.652  -0.560
   97    HD3  ARG  10           HD3      ARG  10  28.621  15.707  -2.284
   98    HE   ARG  10           HE       ARG  10  27.337  17.716  -1.982
   99   HH11  ARG  10          HH21      ARG  10  29.230  16.912   0.935
  100   HH12  ARG  10          HH22      ARG  10  29.110  18.507   1.576
  101   HH21  ARG  10          HH11      ARG  10  27.283  19.724  -1.244
  102   HH22  ARG  10          HH12      ARG  10  27.948  20.191   0.307
  103    H    ASN  11           H        ASN  11  22.939  14.755   1.619
  104    HA   ASN  11           HA       ASN  11  21.165  13.701  -0.217
  105    HB2  ASN  11           HB2      ASN  11  20.739  14.721   2.035
  106    HB3  ASN  11           HB3      ASN  11  20.818  16.316   1.289
  107   HD21  ASN  11          HD22      ASN  11  19.093  14.580  -1.071
  108   HD22  ASN  11          HD21      ASN  11  17.504  14.776  -0.370
  109    H    SER  12           H        SER  12  23.029  16.674  -0.681
  110    HA   SER  12           HA       SER  12  21.444  18.395  -1.902
  111    HB2  SER  12           HB2      SER  12  23.488  19.260  -3.059
  112    HB3  SER  12           HB3      SER  12  23.655  18.964  -1.331
  113    HG   SER  12           HG       SER  12  25.396  18.254  -2.698
  114    H    CYS  13           H        CYS  13  22.644  15.581  -3.797
  115    HA   CYS  13           HA       CYS  13  21.075  16.728  -6.068
  116    HB2  CYS  13           HB2      CYS  13  23.031  16.037  -7.569
  117    HB3  CYS  13           HB3      CYS  13  23.139  17.533  -6.637
  118    HG   CYS  13           HG       CYS  13  24.570  16.679  -4.696
  119    H    ARG  14           H        ARG  14  22.746  13.529  -5.173
  120    HA   ARG  14           HA       ARG  14  21.557  12.428  -7.523
  121    HB2  ARG  14           HB2      ARG  14  22.590  10.929  -5.067
  122    HB3  ARG  14           HB3      ARG  14  21.735  10.121  -6.372
  123    HG2  ARG  14           HG2      ARG  14  23.895   9.736  -6.925
  124    HG3  ARG  14           HG3      ARG  14  23.380  11.025  -8.017
  125    HD2  ARG  14           HD2      ARG  14  25.563  11.509  -7.203
  126    HD3  ARG  14           HD3      ARG  14  24.432  12.671  -6.473
  127    HE   ARG  14           HE       ARG  14  25.228  10.221  -4.961
  128   HH11  ARG  14          HH11      ARG  14  25.170  13.801  -5.050
  129   HH12  ARG  14          HH12      ARG  14  26.536  13.963  -4.040
  130   HH21  ARG  14          HH21      ARG  14  27.004  10.530  -3.489
  131   HH22  ARG  14          HH22      ARG  14  27.484  12.124  -3.053
  132    H    SER  15           H        SER  15  20.576  12.247  -4.023
  133    HA   SER  15           HA       SER  15  18.342  10.562  -4.545
  134    HB2  SER  15           HB2      SER  15  17.804  10.953  -2.189
  135    HB3  SER  15           HB3      SER  15  19.510  10.604  -2.401
  136    HG   SER  15           HG       SER  15  19.270  12.301  -1.002
  137    H    GLN  16           H        GLN  16  18.715  14.093  -4.087
  138    HA   GLN  16           HA       GLN  16  16.037  14.898  -4.205
  139    HB2  GLN  16           HB2      GLN  16  18.640  16.176  -5.159
  140    HB3  GLN  16           HB3      GLN  16  17.113  17.025  -5.304
  141    HG2  GLN  16           HG2      GLN  16  18.222  15.947  -2.702
  142    HG3  GLN  16           HG3      GLN  16  18.401  17.610  -3.235
  143   HE21  GLN  16          HE22      GLN  16  17.275  17.306  -0.809
  144   HE22  GLN  16          HE21      GLN  16  15.528  17.450  -0.849
  145    H    MET  17           H        MET  17  18.308  14.421  -6.990
  146    HA   MET  17           HA       MET  17  16.311  15.004  -8.964
  147    HB2  MET  17           HB2      MET  17  18.975  13.547  -9.009
  148    HB3  MET  17           HB3      MET  17  17.931  13.621 -10.426
  149    HG2  MET  17           HG2      MET  17  17.835  16.119 -10.168
  150    HG3  MET  17           HG3      MET  17  19.119  16.000  -8.965
  151    HE1  MET  17           HE1      MET  17  22.201  14.973 -11.102
  152    HE2  MET  17           HE2      MET  17  21.628  15.628  -9.550
  153    HE3  MET  17           HE3      MET  17  21.190  13.970 -10.035
  154    H    ALA  18           H        ALA  18  17.466  11.902  -7.553
  155    HA   ALA  18           HA       ALA  18  15.880  10.196  -9.108
  156    HB1  ALA  18           HB1      ALA  18  17.697   9.507  -7.477
  157    HB2  ALA  18           HB2      ALA  18  16.549   9.817  -6.160
  158    HB3  ALA  18           HB3      ALA  18  16.198   8.570  -7.372
  159    H    GLU  19           H        GLU  19  15.051  12.038  -6.170
  160    HA   GLU  19           HA       GLU  19  12.488  10.837  -5.861
  161    HB2  GLU  19           HB2      GLU  19  13.306  11.852  -3.937
  162    HB3  GLU  19           HB3      GLU  19  13.687  13.385  -4.754
  163    HG2  GLU  19           HG2      GLU  19  11.408  14.011  -4.907
  164    HG3  GLU  19           HG3      GLU  19  10.834  12.389  -4.537
  165    H    GLY  20           H        GLY  20  13.490  13.808  -7.579
  166    HA2  GLY  20           HA2      GLY  20  10.847  14.657  -8.211
  167    HA3  GLY  20           HA3      GLY  20  12.327  15.088  -9.100
  168    H    PHE  21           H        PHE  21  13.147  12.479  -9.980
  169    HA   PHE  21           HA       PHE  21  11.317  12.032 -12.169
  170    HB2  PHE  21           HB2      PHE  21  13.565  10.247 -11.155
  171    HB3  PHE  21           HB3      PHE  21  12.710  10.055 -12.680
  172    HD1  PHE  21           HD1      PHE  21  12.603  12.442 -14.110
  173    HD2  PHE  21           HD2      PHE  21  15.703  11.181 -11.384
  174    HE1  PHE  21           HE1      PHE  21  14.130  14.249 -14.959
  175    HE2  PHE  21           HE2      PHE  21  17.212  12.910 -12.308
  176    HZ   PHE  21           HZ       PHE  21  16.347  14.504 -14.025
  177    H    ALA  22           H        ALA  22  11.961  10.202  -9.120
  178    HA   ALA  22           HA       ALA  22  10.296   8.043  -9.667
  179    HB1  ALA  22           HB1      ALA  22  10.961   9.335  -7.016
  180    HB2  ALA  22           HB2      ALA  22  10.308   7.691  -7.198
  181    HB3  ALA  22           HB3      ALA  22  11.926   8.084  -7.819
  182    H    LYS  23           H        LYS  23   9.305  11.148  -8.048
  183    HA   LYS  23           HA       LYS  23   6.651  10.084  -7.772
  184    HB2  LYS  23           HB2      LYS  23   5.881  12.299  -7.211
  185    HB3  LYS  23           HB3      LYS  23   7.281  11.810  -6.294
  186    HG2  LYS  23           HG2      LYS  23   8.672  13.259  -7.947
  187    HG3  LYS  23           HG3      LYS  23   7.114  13.849  -8.545
  188    HD2  LYS  23           HD2      LYS  23   7.837  15.410  -6.861
  189    HD3  LYS  23           HD3      LYS  23   6.532  14.422  -6.115
  190    HE2  LYS  23           HE2      LYS  23   8.089  13.059  -4.965
  191    HE3  LYS  23           HE3      LYS  23   9.472  13.789  -5.812
  192    HZ1  LYS  23           HZ1      LYS  23   9.106  14.628  -3.518
  193    HZ2  LYS  23           HZ2      LYS  23   9.128  15.820  -4.620
  194    HZ3  LYS  23           HZ3      LYS  23   7.687  15.312  -3.984
  195    H    THR  24           H        THR  24   8.318  11.765 -10.479
  196    HA   THR  24           HA       THR  24   5.776  12.411 -11.659
  197    HB   THR  24           HB       THR  24   8.607  12.106 -12.881
  198    HG1  THR  24           HG1      THR  24   8.761  13.690 -11.379
  199   HG21  THR  24          HG21      THR  24   6.930  12.143 -14.612
  200   HG22  THR  24          HG22      THR  24   6.146  13.569 -13.888
  201   HG23  THR  24          HG23      THR  24   7.779  13.701 -14.602
  202    H    LEU  25           H        LEU  25   8.151   9.817 -11.944
  203    HA   LEU  25           HA       LEU  25   6.909   8.426 -14.104
  204    HB2  LEU  25           HB2      LEU  25   8.968   7.628 -12.018
  205    HB3  LEU  25           HB3      LEU  25   8.585   6.663 -13.445
  206    HG   LEU  25           HG       LEU  25   9.683   9.518 -13.597
  207   HD11  LEU  25          HD11      LEU  25  11.844   8.334 -14.115
  208   HD12  LEU  25          HD12      LEU  25  11.258   8.167 -12.447
  209   HD13  LEU  25          HD13      LEU  25  11.075   6.818 -13.575
  210   HD21  LEU  25          HD21      LEU  25   9.422   7.288 -15.666
  211   HD22  LEU  25          HD22      LEU  25   8.510   8.812 -15.632
  212   HD23  LEU  25          HD23      LEU  25  10.254   8.840 -15.917
  213    H    GLY  26           H        GLY  26   6.952   8.012 -10.588
  214    HA2  GLY  26           HA2      GLY  26   4.994   5.770 -10.824
  215    HA3  GLY  26           HA3      GLY  26   6.342   5.864  -9.709
  216    H    ALA  27           H        ALA  27   4.979   8.984  -9.455
  217    HA   ALA  27           HA       ALA  27   3.574   8.395  -7.064
  218    HB1  ALA  27           HB1      ALA  27   2.548  10.658  -7.322
  219    HB2  ALA  27           HB2      ALA  27   4.303  10.685  -7.527
  220    HB3  ALA  27           HB3      ALA  27   3.247  10.787  -8.954
  221    H    GLY  28           H        GLY  28   1.907   7.083  -6.893
  222    HA2  GLY  28           HA2      GLY  28  -0.589   6.910  -7.650
  223    HA3  GLY  28           HA3      GLY  28   0.143   6.564  -9.227
  224    H    LYS  29           H        LYS  29   2.481   5.147  -8.017
  225    HA   LYS  29           HA       LYS  29   1.251   2.906  -6.553
  226    HB2  LYS  29           HB2      LYS  29   2.728   1.282  -7.947
  227    HB3  LYS  29           HB3      LYS  29   1.099   1.727  -8.404
  228    HG2  LYS  29           HG2      LYS  29   2.395   1.592 -10.354
  229    HG3  LYS  29           HG3      LYS  29   1.944   3.280 -10.108
  230    HD2  LYS  29           HD2      LYS  29   4.207   3.844  -9.450
  231    HD3  LYS  29           HD3      LYS  29   4.663   2.146  -9.335
  232    HE2  LYS  29           HE2      LYS  29   5.514   3.243 -11.399
  233    HE3  LYS  29           HE3      LYS  29   4.542   1.808 -11.690
  234    HZ1  LYS  29           HZ1      LYS  29   4.016   3.603 -13.221
  235    HZ2  LYS  29           HZ2      LYS  29   2.703   3.234 -12.343
  236    HZ3  LYS  29           HZ3      LYS  29   3.555   4.597 -12.020
  237    H    ILE  30           H        ILE  30   3.915   5.064  -6.899
  238    HA   ILE  30           HA       ILE  30   4.921   3.778  -4.446
  239    HB   ILE  30           HB       ILE  30   7.184   4.636  -4.976
  240   HG12  ILE  30          HG12      ILE  30   6.392   4.710  -7.896
  241   HG13  ILE  30          HG13      ILE  30   6.355   6.178  -6.909
  242   HG21  ILE  30          HG21      ILE  30   6.580   2.283  -5.172
  243   HG22  ILE  30          HG22      ILE  30   6.126   2.499  -6.878
  244   HG23  ILE  30          HG23      ILE  30   7.813   2.735  -6.347
  245   HD11  ILE  30          HD11      ILE  30   8.460   6.026  -8.133
  246   HD12  ILE  30          HD12      ILE  30   8.712   5.977  -6.383
  247   HD13  ILE  30          HD13      ILE  30   8.856   4.482  -7.377
  248    H    ALA  31           H        ALA  31   5.716   5.176  -2.887
  249    HA   ALA  31           HA       ALA  31   5.167   8.097  -3.242
  250    HB1  ALA  31           HB1      ALA  31   5.004   6.299  -0.771
  251    HB2  ALA  31           HB2      ALA  31   4.914   8.074  -0.737
  252    HB3  ALA  31           HB3      ALA  31   3.652   7.141  -1.565
  253    H    VAL  32           H        VAL  32   7.079   9.266  -3.166
  254    HA   VAL  32           HA       VAL  32   9.505   7.781  -2.365
  255    HB   VAL  32           HB       VAL  32   9.362   8.274  -4.653
  256   HG11  VAL  32          HG11      VAL  32   9.281  10.572  -5.601
  257   HG12  VAL  32          HG12      VAL  32   7.763   9.972  -4.949
  258   HG13  VAL  32          HG13      VAL  32   8.731  11.149  -4.013
  259   HG21  VAL  32          HG21      VAL  32  11.550   8.667  -3.403
  260   HG22  VAL  32          HG22      VAL  32  11.403   9.435  -4.977
  261   HG23  VAL  32          HG23      VAL  32  11.215  10.401  -3.513
  262    H    THR  33           H        THR  33  11.097   8.650  -1.167
  263    HA   THR  33           HA       THR  33  10.988  11.455  -0.373
  264    HB   THR  33           HB       THR  33  11.682   9.160   1.521
  265    HG1  THR  33           HG1      THR  33   9.783   9.480   2.527
  266   HG21  THR  33          HG21      THR  33  11.492  10.915   3.297
  267   HG22  THR  33          HG22      THR  33  12.799  11.228   2.162
  268   HG23  THR  33          HG23      THR  33  11.281  12.145   2.029
  269    H    SER  34           H        SER  34  13.069  12.357  -0.570
  270    HA   SER  34           HA       SER  34  15.407  10.565  -0.728
  271    HB2  SER  34           HB2      SER  34  16.485  12.493  -1.816
  272    HB3  SER  34           HB3      SER  34  15.077  11.881  -2.699
  273    HG   SER  34           HG       SER  34  13.891  13.627  -1.883
  274    H    CYS  35           H        CYS  35  17.343  11.182   0.444
  275    HA   CYS  35           HA       CYS  35  17.277  13.370   2.305
  276    HB2  CYS  35           HB2      CYS  35  17.492  12.044   4.342
  277    HB3  CYS  35           HB3      CYS  35  15.945  11.705   3.576
  278    HG   CYS  35           HG       CYS  35  16.692   9.514   2.372
  279    H    GLY  36           H        GLY  36  19.447  12.451   3.867
  280    HA2  GLY  36           HA2      GLY  36  21.347  11.034   2.190
  281    HA3  GLY  36           HA3      GLY  36  21.852  12.687   2.597
  282    H    LEU  37           H        LEU  37  23.192  10.426   3.327
  283    HA   LEU  37           HA       LEU  37  22.974   9.486   5.932
  284    HB2  LEU  37           HB2      LEU  37  24.583   8.772   4.221
  285    HB3  LEU  37           HB3      LEU  37  25.269  10.408   4.174
  286    HG   LEU  37           HG       LEU  37  26.065  10.212   6.423
  287   HD11  LEU  37          HD11      LEU  37  24.979   7.354   6.272
  288   HD12  LEU  37          HD12      LEU  37  26.083   7.931   7.546
  289   HD13  LEU  37          HD13      LEU  37  24.458   8.615   7.403
  290   HD21  LEU  37          HD21      LEU  37  26.877   7.912   4.588
  291   HD22  LEU  37          HD22      LEU  37  27.478   9.579   4.514
  292   HD23  LEU  37          HD23      LEU  37  27.876   8.563   5.913
  293    H    GLU  38           H        GLU  38  23.946  12.610   4.638
  294    HA   GLU  38           HA       GLU  38  23.395  13.913   7.164
  295    HB2  GLU  38           HB2      GLU  38  25.924  13.591   7.073
  296    HB3  GLU  38           HB3      GLU  38  25.923  14.578   5.596
  297    HG2  GLU  38           HG2      GLU  38  24.991  16.481   6.853
  298    HG3  GLU  38           HG3      GLU  38  24.852  15.486   8.302
  299    H    SER  39           H        SER  39  22.492  15.948   6.672
  300    HA   SER  39           HA       SER  39  21.344  16.177   4.016
  301    HB2  SER  39           HB2      SER  39  20.422  18.355   5.191
  302    HB3  SER  39           HB3      SER  39  19.838  16.758   5.673
  303    HG   SER  39           HG       SER  39  20.411  18.129   7.457
  304    H    SER  40           H        SER  40  21.501  18.071   2.670
  305    HA   SER  40           HA       SER  40  23.354  20.197   3.147
  306    HB2  SER  40           HB2      SER  40  23.889  18.247   0.847
  307    HB3  SER  40           HB3      SER  40  24.641  19.844   1.032
  308    HG   SER  40           HG       SER  40  24.837  18.233   3.252
  309    H    ARG  41           H        ARG  41  22.749  21.952   1.642
  310    HA   ARG  41           HA       ARG  41  20.140  22.191   0.938
  311    HB2  ARG  41           HB2      ARG  41  22.184  23.878   1.029
  312    HB3  ARG  41           HB3      ARG  41  22.417  23.426  -0.667
  313    HG2  ARG  41           HG2      ARG  41  19.856  24.030  -0.876
  314    HG3  ARG  41           HG3      ARG  41  20.129  24.836   0.678
  315    HD2  ARG  41           HD2      ARG  41  21.924  26.200  -0.374
  316    HD3  ARG  41           HD3      ARG  41  21.699  25.350  -1.906
  317    HE   ARG  41           HE       ARG  41  20.053  27.461  -0.748
  318   HH11  ARG  41          HH11      ARG  41  20.050  24.844  -3.217
  319   HH12  ARG  41          HH12      ARG  41  18.860  25.629  -4.182
  320   HH21  ARG  41          HH21      ARG  41  18.453  28.424  -2.051
  321   HH22  ARG  41          HH22      ARG  41  17.919  27.673  -3.504
  322    H    VAL  42           H        VAL  42  18.965  22.020  -1.039
  323    HA   VAL  42           HA       VAL  42  19.704  19.959  -2.899
  324    HB   VAL  42           HB       VAL  42  17.784  22.276  -3.417
  325   HG11  VAL  42          HG11      VAL  42  18.073  19.494  -4.664
  326   HG12  VAL  42          HG12      VAL  42  16.796  20.674  -5.046
  327   HG13  VAL  42          HG13      VAL  42  18.489  21.026  -5.437
  328   HG21  VAL  42          HG21      VAL  42  16.980  21.215  -1.422
  329   HG22  VAL  42          HG22      VAL  42  16.020  20.557  -2.756
  330   HG23  VAL  42          HG23      VAL  42  17.346  19.603  -2.051
  331    H    HIS  43           H        HIS  43  21.069  20.084  -4.612
  332    HA   HIS  43           HA       HIS  43  22.723  22.396  -4.849
  333    HB2  HIS  43           HB2      HIS  43  23.161  19.801  -5.234
  334    HB3  HIS  43           HB3      HIS  43  22.624  20.145  -6.872
  335    HD1  HIS  43           HD1      HIS  43  24.455  21.399  -8.381
  336    HD2  HIS  43           HD2      HIS  43  25.343  21.201  -4.276
  337    HE1  HIS  43           HE1      HIS  43  26.832  22.255  -8.122
  338    HA   PRO  44           HA       PRO  44  19.954  24.450  -7.512
  339    HB2  PRO  44           HB2      PRO  44  21.458  26.450  -8.655
  340    HB3  PRO  44           HB3      PRO  44  21.081  26.404  -6.906
  341    HG2  PRO  44           HG2      PRO  44  23.620  25.511  -8.292
  342    HG3  PRO  44           HG3      PRO  44  23.451  26.476  -6.795
  343    HD2  PRO  44           HD2      PRO  44  23.907  23.746  -6.834
  344    HD3  PRO  44           HD3      PRO  44  23.016  24.567  -5.507
  345    H    THR  45           H        THR  45  23.011  23.567  -9.275
  346    HA   THR  45           HA       THR  45  21.790  23.696 -11.774
  347    HB   THR  45           HB       THR  45  23.983  21.807 -10.775
  348    HG1  THR  45           HG1      THR  45  25.405  23.512 -11.173
  349   HG21  THR  45          HG21      THR  45  23.506  21.222 -13.036
  350   HG22  THR  45          HG22      THR  45  23.523  22.920 -13.568
  351   HG23  THR  45          HG23      THR  45  25.025  22.105 -13.016
  352    H    ALA  46           H        ALA  46  21.369  21.268  -9.308
  353    HA   ALA  46           HA       ALA  46  20.547  19.021 -10.848
  354    HB1  ALA  46           HB1      ALA  46  20.834  19.292  -8.263
  355    HB2  ALA  46           HB2      ALA  46  19.171  20.024  -8.315
  356    HB3  ALA  46           HB3      ALA  46  19.425  18.350  -8.825
  357    H    ILE  47           H        ILE  47  18.853  22.038  -9.882
  358    HA   ILE  47           HA       ILE  47  16.265  21.300 -10.517
  359    HB   ILE  47           HB       ILE  47  17.753  23.949 -10.752
  360   HG12  ILE  47          HG12      ILE  47  15.945  23.099  -8.454
  361   HG13  ILE  47          HG13      ILE  47  17.666  22.754  -8.428
  362   HG21  ILE  47          HG21      ILE  47  15.743  24.103 -12.047
  363   HG22  ILE  47          HG22      ILE  47  14.786  23.463 -10.695
  364   HG23  ILE  47          HG23      ILE  47  15.577  25.058 -10.586
  365   HD11  ILE  47          HD11      ILE  47  18.201  25.148  -8.695
  366   HD12  ILE  47          HD12      ILE  47  16.474  25.540  -8.583
  367   HD13  ILE  47          HD13      ILE  47  17.272  24.780  -7.204
  368    H    ALA  48           H        ALA  48  18.996  22.534 -12.485
  369    HA   ALA  48           HA       ALA  48  17.456  23.280 -14.724
  370    HB1  ALA  48           HB1      ALA  48  19.631  23.610 -15.815
  371    HB2  ALA  48           HB2      ALA  48  19.678  24.254 -14.157
  372    HB3  ALA  48           HB3      ALA  48  20.444  22.699 -14.530
  373    H    MET  49           H        MET  49  19.371  20.415 -13.894
  374    HA   MET  49           HA       MET  49  19.164  19.097 -16.365
  375    HB2  MET  49           HB2      MET  49  19.303  17.671 -13.719
  376    HB3  MET  49           HB3      MET  49  20.075  17.258 -15.270
  377    HG2  MET  49           HG2      MET  49  20.894  19.112 -13.109
  378    HG3  MET  49           HG3      MET  49  21.806  17.909 -13.966
  379    HE1  MET  49           HE1      MET  49  22.825  18.413 -16.520
  380    HE2  MET  49           HE2      MET  49  21.211  18.948 -17.061
  381    HE3  MET  49           HE3      MET  49  22.635  19.980 -17.331
  382    H    MET  50           H        MET  50  17.067  18.967 -13.479
  383    HA   MET  50           HA       MET  50  15.228  17.011 -14.547
  384    HB2  MET  50           HB2      MET  50  15.012  19.049 -12.283
  385    HB3  MET  50           HB3      MET  50  13.771  17.859 -12.689
  386    HG2  MET  50           HG2      MET  50  16.002  16.246 -12.622
  387    HG3  MET  50           HG3      MET  50  16.467  17.470 -11.466
  388    HE1  MET  50           HE1      MET  50  12.492  15.357 -11.383
  389    HE2  MET  50           HE2      MET  50  13.591  15.577 -12.766
  390    HE3  MET  50           HE3      MET  50  13.775  14.172 -11.685
  391    H    GLU  51           H        GLU  51  15.446  20.606 -14.627
  392    HA   GLU  51           HA       GLU  51  13.026  21.072 -15.944
  393    HB2  GLU  51           HB2      GLU  51  15.258  22.565 -15.159
  394    HB3  GLU  51           HB3      GLU  51  15.298  22.703 -16.905
  395    HG2  GLU  51           HG2      GLU  51  12.930  23.317 -15.077
  396    HG3  GLU  51           HG3      GLU  51  14.037  24.519 -15.727
  397    H    GLU  52           H        GLU  52  16.067  19.737 -17.218
  398    HA   GLU  52           HA       GLU  52  15.393  20.073 -19.972
  399    HB2  GLU  52           HB2      GLU  52  17.087  17.839 -18.816
  400    HB3  GLU  52           HB3      GLU  52  17.067  18.410 -20.478
  401    HG2  GLU  52           HG2      GLU  52  17.732  20.748 -19.438
  402    HG3  GLU  52           HG3      GLU  52  18.225  19.772 -18.056
  403    H    VAL  53           H        VAL  53  14.717  17.606 -17.516
  404    HA   VAL  53           HA       VAL  53  13.376  15.868 -19.508
  405    HB   VAL  53           HB       VAL  53  13.513  15.709 -16.487
  406   HG11  VAL  53          HG11      VAL  53  11.531  14.464 -17.267
  407   HG12  VAL  53          HG12      VAL  53  12.503  13.653 -18.511
  408   HG13  VAL  53          HG13      VAL  53  12.792  13.335 -16.785
  409   HG21  VAL  53          HG21      VAL  53  15.706  15.411 -17.611
  410   HG22  VAL  53          HG22      VAL  53  15.143  13.855 -16.993
  411   HG23  VAL  53          HG23      VAL  53  14.999  14.224 -18.717
  412    H    GLY  54           H        GLY  54  12.487  18.534 -17.428
  413    HA2  GLY  54           HA2      GLY  54  10.559  19.854 -17.995
  414    HA3  GLY  54           HA3      GLY  54   9.661  18.387 -18.406
  415    H    ILE  55           H        ILE  55  11.752  18.637 -15.554
  416    HA   ILE  55           HA       ILE  55   9.374  18.703 -13.740
  417    HB   ILE  55           HB       ILE  55  11.782  16.885 -13.468
  418   HG12  ILE  55          HG12      ILE  55   9.006  15.760 -13.908
  419   HG13  ILE  55          HG13      ILE  55   9.908  16.278 -15.317
  420   HG21  ILE  55          HG21      ILE  55  10.968  17.225 -11.244
  421   HG22  ILE  55          HG22      ILE  55   9.263  17.187 -11.779
  422   HG23  ILE  55          HG23      ILE  55  10.231  15.718 -11.733
  423   HD11  ILE  55          HD11      ILE  55  11.813  14.920 -14.730
  424   HD12  ILE  55          HD12      ILE  55  10.945  14.262 -13.317
  425   HD13  ILE  55          HD13      ILE  55  10.342  13.948 -14.959
  426    H    ASP  56           H        ASP  56  10.493  19.050 -11.329
  427    HA   ASP  56           HA       ASP  56  12.618  21.105 -11.463
  428    HB2  ASP  56           HB2      ASP  56  10.616  22.445 -11.687
  429    HB3  ASP  56           HB3      ASP  56   9.773  21.504 -10.447
  430    H    ILE  57           H        ILE  57  13.546  21.456  -9.370
  431    HA   ILE  57           HA       ILE  57  12.610  19.742  -7.172
  432    HB   ILE  57           HB       ILE  57  15.492  20.125  -7.086
  433   HG12  ILE  57          HG12      ILE  57  14.504  18.154  -9.151
  434   HG13  ILE  57          HG13      ILE  57  15.392  19.625  -9.519
  435   HG21  ILE  57          HG21      ILE  57  13.602  17.764  -6.718
  436   HG22  ILE  57          HG22      ILE  57  15.317  17.725  -6.302
  437   HG23  ILE  57          HG23      ILE  57  14.282  18.836  -5.455
  438   HD11  ILE  57          HD11      ILE  57  17.097  18.069  -9.488
  439   HD12  ILE  57          HD12      ILE  57  17.184  18.734  -7.847
  440   HD13  ILE  57          HD13      ILE  57  16.407  17.163  -8.126
  441    H    SER  58           H        SER  58  13.731  22.869  -8.200
  442    HA   SER  58           HA       SER  58  14.483  24.215  -5.973
  443    HB2  SER  58           HB2      SER  58  12.175  25.302  -7.591
  444    HB3  SER  58           HB3      SER  58  13.584  26.148  -6.933
  445    HG   SER  58           HG       SER  58  13.305  24.450  -9.165
  446    H    GLY  59           H        GLY  59  11.170  23.012  -6.651
  447    HA2  GLY  59           HA2      GLY  59   9.848  24.443  -4.562
  448    HA3  GLY  59           HA3      GLY  59   9.204  23.119  -5.540
  449    H    GLN  60           H        GLN  60  11.866  21.649  -4.260
  450    HA   GLN  60           HA       GLN  60  10.602  20.983  -1.694
  451    HB2  GLN  60           HB2      GLN  60  11.039  18.655  -2.046
  452    HB3  GLN  60           HB3      GLN  60  10.106  19.303  -3.407
  453    HG2  GLN  60           HG2      GLN  60  12.085  19.321  -4.831
  454    HG3  GLN  60           HG3      GLN  60  13.104  18.818  -3.483
  455   HE21  GLN  60          HE22      GLN  60  13.816  16.829  -4.145
  456   HE22  GLN  60          HE21      GLN  60  12.780  15.515  -4.670
  457    H    THR  61           H        THR  61  12.199  19.879  -0.186
  458    HA   THR  61           HA       THR  61  14.837  21.229  -0.356
  459    HB   THR  61           HB       THR  61  14.471  21.515   2.138
  460    HG1  THR  61           HG1      THR  61  12.408  21.246   2.912
  461   HG21  THR  61          HG21      THR  61  14.108  23.332   0.482
  462   HG22  THR  61          HG22      THR  61  12.404  22.834   0.328
  463   HG23  THR  61          HG23      THR  61  13.020  23.465   1.876
  464    H    SER  62           H        SER  62  16.363  20.393   1.352
  465    HA   SER  62           HA       SER  62  16.533  17.439   1.221
  466    HB2  SER  62           HB2      SER  62  18.466  19.659   1.971
  467    HB3  SER  62           HB3      SER  62  18.837  17.944   2.157
  468    HG   SER  62           HG       SER  62  19.550  18.840   0.201
  469    H    ASP  63           H        ASP  63  17.173  16.264   3.089
  470    HA   ASP  63           HA       ASP  63  16.354  17.275   5.749
  471    HB2  ASP  63           HB2      ASP  63  14.270  16.587   4.302
  472    HB3  ASP  63           HB3      ASP  63  14.855  14.936   4.503
  473    HA   PRO  64           HA       PRO  64  19.448  14.113   6.407
  474    HB2  PRO  64           HB2      PRO  64  19.462  13.809   9.118
  475    HB3  PRO  64           HB3      PRO  64  20.028  15.303   8.314
  476    HG2  PRO  64           HG2      PRO  64  17.333  14.770   9.584
  477    HG3  PRO  64           HG3      PRO  64  18.376  16.214   9.763
  478    HD2  PRO  64           HD2      PRO  64  16.252  16.074   8.015
  479    HD3  PRO  64           HD3      PRO  64  17.707  17.068   7.684
  480    H    ILE  65           H        ILE  65  19.593  11.866   6.556
  481    HA   ILE  65           HA       ILE  65  17.385  10.188   6.369
  482    HB   ILE  65           HB       ILE  65  19.652   9.667   5.719
  483   HG12  ILE  65          HG12      ILE  65  18.439   7.624   7.607
  484   HG13  ILE  65          HG13      ILE  65  17.862   7.988   5.971
  485   HG21  ILE  65          HG21      ILE  65  20.274   9.106   8.660
  486   HG22  ILE  65          HG22      ILE  65  21.339   8.831   7.283
  487   HG23  ILE  65          HG23      ILE  65  20.917  10.480   7.729
  488   HD11  ILE  65          HD11      ILE  65  20.292   7.523   5.244
  489   HD12  ILE  65          HD12      ILE  65  20.452   6.679   6.794
  490   HD13  ILE  65          HD13      ILE  65  19.230   6.154   5.602
  491    H    GLU  66           H        GLU  66  19.065  11.314   9.254
  492    HA   GLU  66           HA       GLU  66  18.189   9.585  11.204
  493    HB2  GLU  66           HB2      GLU  66  18.597  12.582  11.575
  494    HB3  GLU  66           HB3      GLU  66  18.852  11.299  12.761
  495    HG2  GLU  66           HG2      GLU  66  20.705  10.419  11.212
  496    HG3  GLU  66           HG3      GLU  66  20.537  11.916  10.286
  497    H    ASN  67           H        ASN  67  16.286  11.991   9.553
  498    HA   ASN  67           HA       ASN  67  14.349  12.405  11.691
  499    HB2  ASN  67           HB2      ASN  67  15.060  14.135   9.998
  500    HB3  ASN  67           HB3      ASN  67  14.265  13.162   8.759
  501   HD21  ASN  67          HD22      ASN  67  12.826  14.805   8.226
  502   HD22  ASN  67          HD21      ASN  67  11.491  15.296   9.275
  503    H    PHE  68           H        PHE  68  14.796   9.784   9.451
  504    HA   PHE  68           HA       PHE  68  11.924   9.051   9.707
  505    HB2  PHE  68           HB2      PHE  68  13.874   8.629   7.409
  506    HB3  PHE  68           HB3      PHE  68  12.315   7.829   7.562
  507    HD1  PHE  68           HD2      PHE  68  10.204   9.005   7.311
  508    HD2  PHE  68           HD1      PHE  68  13.989  10.995   6.741
  509    HE1  PHE  68           HE2      PHE  68   9.039  10.902   6.193
  510    HE2  PHE  68           HE1      PHE  68  12.828  12.854   5.569
  511    HZ   PHE  68           HZ       PHE  68  10.355  12.826   5.320
  512    H    ASN  69           H        ASN  69  11.825   6.632   9.095
  513    HA   ASN  69           HA       ASN  69  13.956   4.978  10.300
  514    HB2  ASN  69           HB2      ASN  69  12.011   3.434  11.026
  515    HB3  ASN  69           HB3      ASN  69  12.437   4.801  12.049
  516   HD21  ASN  69          HD22      ASN  69  10.374   4.960   9.044
  517   HD22  ASN  69          HD21      ASN  69   8.937   5.439   9.925
  518    H    ALA  70           H        ALA  70  14.267   3.118   9.185
  519    HA   ALA  70           HA       ALA  70  13.596   3.135   6.368
  520    HB1  ALA  70           HB1      ALA  70  14.873   0.915   8.017
  521    HB2  ALA  70           HB2      ALA  70  14.983   1.154   6.261
  522    HB3  ALA  70           HB3      ALA  70  15.771   2.297   7.361
  523    H    ASP  71           H        ASP  71  12.188   1.642   9.212
  524    HA   ASP  71           HA       ASP  71  10.990  -0.634   8.089
  525    HB2  ASP  71           HB2      ASP  71  11.159  -0.198  10.496
  526    HB3  ASP  71           HB3      ASP  71  10.046   1.166  10.352
  527    H    ASP  72           H        ASP  72  10.107   2.738   7.651
  528    HA   ASP  72           HA       ASP  72   7.351   2.176   6.918
  529    HB2  ASP  72           HB2      ASP  72   8.029   4.216   8.161
  530    HB3  ASP  72           HB3      ASP  72   8.985   4.734   6.766
  531    H    TYR  73           H        TYR  73  10.413   1.979   5.381
  532    HA   TYR  73           HA       TYR  73   9.374   2.676   2.754
  533    HB2  TYR  73           HB2      TYR  73  12.191   2.604   3.855
  534    HB3  TYR  73           HB3      TYR  73  11.797   2.864   2.156
  535    HD1  TYR  73           HD2      TYR  73  10.511   4.874   1.439
  536    HD2  TYR  73           HD1      TYR  73  11.869   4.396   5.491
  537    HE1  TYR  73           HE2      TYR  73  10.026   7.251   1.869
  538    HE2  TYR  73           HE1      TYR  73  11.437   6.783   5.958
  539    HH   TYR  73           HH       TYR  73  10.585   8.818   5.034
  540    H    ASP  74           H        ASP  74   9.233   1.148   1.207
  541    HA   ASP  74           HA       ASP  74   9.643  -1.647   2.010
  542    HB2  ASP  74           HB2      ASP  74   7.622  -0.847   0.668
  543    HB3  ASP  74           HB3      ASP  74   8.721  -0.588  -0.683
  544    H    VAL  75           H        VAL  75  10.986   0.867  -0.107
  545    HA   VAL  75           HA       VAL  75  13.299  -0.900  -0.703
  546    HB   VAL  75           HB       VAL  75  12.015  -1.038  -2.567
  547   HG11  VAL  75          HG11      VAL  75  10.276   0.559  -2.332
  548   HG12  VAL  75          HG12      VAL  75  11.427   1.828  -2.779
  549   HG13  VAL  75          HG13      VAL  75  10.981   0.592  -3.952
  550   HG21  VAL  75          HG21      VAL  75  13.338  -0.193  -4.343
  551   HG22  VAL  75          HG22      VAL  75  13.809   1.241  -3.407
  552   HG23  VAL  75          HG23      VAL  75  14.439  -0.351  -2.968
  553    H    VAL  76           H        VAL  76  15.227  -0.057  -0.486
  554    HA   VAL  76           HA       VAL  76  15.411   2.922  -0.192
  555    HB   VAL  76           HB       VAL  76  15.432   2.373   1.978
  556   HG11  VAL  76          HG11      VAL  76  16.968  -0.171   1.468
  557   HG12  VAL  76          HG12      VAL  76  16.559   0.484   3.076
  558   HG13  VAL  76          HG13      VAL  76  15.270   0.029   1.969
  559   HG21  VAL  76          HG21      VAL  76  17.660   2.668   2.870
  560   HG22  VAL  76          HG22      VAL  76  18.384   2.211   1.329
  561   HG23  VAL  76          HG23      VAL  76  17.410   3.697   1.454
  562    H    ILE  77           H        ILE  77  16.822   3.896  -1.350
  563    HA   ILE  77           HA       ILE  77  18.818   2.320  -2.866
  564    HB   ILE  77           HB       ILE  77  17.063   4.678  -3.642
  565   HG12  ILE  77          HG12      ILE  77  15.758   2.636  -3.630
  566   HG13  ILE  77          HG13      ILE  77  16.047   3.184  -5.270
  567   HG21  ILE  77          HG21      ILE  77  19.223   4.913  -4.724
  568   HG22  ILE  77          HG22      ILE  77  19.204   3.224  -5.239
  569   HG23  ILE  77          HG23      ILE  77  18.031   4.395  -5.903
  570   HD11  ILE  77          HD11      ILE  77  16.243   0.707  -5.013
  571   HD12  ILE  77          HD12      ILE  77  17.727   1.451  -5.628
  572   HD13  ILE  77          HD13      ILE  77  17.635   0.942  -3.934
  573    H    SER  78           H        SER  78  20.683   2.715  -1.985
  574    HA   SER  78           HA       SER  78  21.375   5.395  -0.975
  575    HB2  SER  78           HB2      SER  78  22.875   2.787  -1.188
  576    HB3  SER  78           HB3      SER  78  23.673   4.349  -0.818
  577    HG   SER  78           HG       SER  78  23.069   3.241   1.066
  578    H    LEU  79           H        LEU  79  22.929   6.660  -2.177
  579    HA   LEU  79           HA       LEU  79  23.792   5.750  -4.795
  580    HB2  LEU  79           HB2      LEU  79  22.822   8.381  -5.344
  581    HB3  LEU  79           HB3      LEU  79  22.462   6.897  -6.110
  582    HG   LEU  79           HG       LEU  79  20.629   6.663  -4.125
  583   HD11  LEU  79          HD11      LEU  79  21.657   8.838  -3.148
  584   HD12  LEU  79          HD12      LEU  79  20.721   9.632  -4.397
  585   HD13  LEU  79          HD13      LEU  79  19.899   8.610  -3.205
  586   HD21  LEU  79          HD21      LEU  79  19.911   6.687  -6.359
  587   HD22  LEU  79          HD22      LEU  79  19.046   8.011  -5.573
  588   HD23  LEU  79          HD23      LEU  79  20.420   8.361  -6.633
  589    H    CYS  80           H        CYS  80  25.327   5.826  -2.719
  590    HA   CYS  80           HA       CYS  80  26.263   8.384  -1.849
  591    HB2  CYS  80           HB2      CYS  80  27.364   5.578  -1.563
  592    HB3  CYS  80           HB3      CYS  80  28.021   7.001  -0.723
  593    HG   CYS  80           HG       CYS  80  26.421   5.424   0.741
  594    H    GLY  81           H        GLY  81  28.111   5.961  -3.857
  595    HA2  GLY  81           HA2      GLY  81  28.813   6.846  -6.059
  596    HA3  GLY  81           HA3      GLY  81  29.232   8.364  -5.282
  597    H    CYS  82           H        CYS  82  30.474   6.808  -2.977
  598    HA   CYS  82           HA       CYS  82  32.979   5.910  -4.332
  599    HB2  CYS  82           HB2      CYS  82  32.852   7.703  -1.866
  600    HB3  CYS  82           HB3      CYS  82  34.297   7.190  -2.740
  601    HG   CYS  82           HG       CYS  82  33.668   8.335  -5.024
  602    H    GLY  83           H        GLY  83  30.837   4.327  -3.213
  603    HA2  GLY  83           HA2      GLY  83  30.660   2.350  -2.134
  604    HA3  GLY  83           HA3      GLY  83  32.376   2.456  -1.668
  605    H    VAL  84           H        VAL  84  30.950   5.207  -0.580
  606    HA   VAL  84           HA       VAL  84  30.782   4.575   2.184
  607    HB   VAL  84           HB       VAL  84  29.869   6.877   0.488
  608   HG11  VAL  84          HG11      VAL  84  29.434   8.124   2.620
  609   HG12  VAL  84          HG12      VAL  84  28.283   6.804   2.379
  610   HG13  VAL  84          HG13      VAL  84  29.630   6.612   3.525
  611   HG21  VAL  84          HG21      VAL  84  32.292   6.654   0.825
  612   HG22  VAL  84          HG22      VAL  84  31.660   8.080   1.655
  613   HG23  VAL  84          HG23      VAL  84  32.051   6.618   2.583
  614    H    ASN  85           H        ASN  85  28.999   3.850   3.327
  615    HA   ASN  85           HA       ASN  85  26.548   3.109   1.872
  616    HB2  ASN  85           HB2      ASN  85  26.694   0.747   2.488
  617    HB3  ASN  85           HB3      ASN  85  27.993   1.232   1.415
  618   HD21  ASN  85          HD22      ASN  85  30.045   1.690   2.310
  619   HD22  ASN  85          HD21      ASN  85  30.612   0.906   3.789
  620    H    LEU  86           H        LEU  86  25.186   1.659   3.606
  621    HA   LEU  86           HA       LEU  86  24.963   3.457   5.982
  622    HB2  LEU  86           HB2      LEU  86  22.743   2.070   4.447
  623    HB3  LEU  86           HB3      LEU  86  22.575   3.200   5.783
  624    HG   LEU  86           HG       LEU  86  23.554   3.820   2.964
  625   HD11  LEU  86          HD11      LEU  86  21.488   5.055   2.784
  626   HD12  LEU  86          HD12      LEU  86  21.118   3.412   3.285
  627   HD13  LEU  86          HD13      LEU  86  21.070   4.726   4.485
  628   HD21  LEU  86          HD21      LEU  86  23.284   5.712   5.343
  629   HD22  LEU  86          HD22      LEU  86  24.789   5.276   4.496
  630   HD23  LEU  86          HD23      LEU  86  23.549   6.202   3.653
  631    HA   PRO  87           HA       PRO  87  25.589  -0.626   8.003
  632    HB2  PRO  87           HB2      PRO  87  25.670   1.342  10.291
  633    HB3  PRO  87           HB3      PRO  87  26.630  -0.147  10.048
  634    HG2  PRO  87           HG2      PRO  87  27.706   2.283   9.502
  635    HG3  PRO  87           HG3      PRO  87  27.985   0.902   8.392
  636    HD2  PRO  87           HD2      PRO  87  26.043   3.194   8.086
  637    HD3  PRO  87           HD3      PRO  87  27.078   2.399   6.863
  638    HA   PRO  88           HA       PRO  88  21.822   0.332  10.838
  639    HB2  PRO  88           HB2      PRO  88  20.211   2.393   9.445
  640    HB3  PRO  88           HB3      PRO  88  20.650   2.294  11.167
  641    HG2  PRO  88           HG2      PRO  88  21.738   4.117   9.385
  642    HG3  PRO  88           HG3      PRO  88  22.618   3.483  10.820
  643    HD2  PRO  88           HD2      PRO  88  22.862   2.698   7.948
  644    HD3  PRO  88           HD3      PRO  88  24.115   2.793   9.221
  645    H    GLU  89           H        GLU  89  19.305   0.239  10.567
  646    HA   GLU  89           HA       GLU  89  18.341  -1.839   9.084
  647    HB2  GLU  89           HB2      GLU  89  16.113  -0.755   9.510
  648    HB3  GLU  89           HB3      GLU  89  17.156  -0.944  10.927
  649    HG2  GLU  89           HG2      GLU  89  17.778   1.447  10.816
  650    HG3  GLU  89           HG3      GLU  89  16.835   1.642   9.345
  651    H    TRP  90           H        TRP  90  19.028   1.273   7.825
  652    HA   TRP  90           HA       TRP  90  17.397   1.320   5.499
  653    HB2  TRP  90           HB2      TRP  90  20.098   2.589   6.075
  654    HB3  TRP  90           HB3      TRP  90  19.069   2.989   4.708
  655    HD1  TRP  90           HD1      TRP  90  19.700   4.000   8.190
  656    HE1  TRP  90           HE1      TRP  90  17.950   5.605   9.063
  657    HE3  TRP  90           HE3      TRP  90  16.307   3.570   4.390
  658    HZ2  TRP  90           HZ2      TRP  90  15.428   6.740   8.123
  659    HZ3  TRP  90           HZ3      TRP  90  14.268   4.966   4.375
  660    HH2  TRP  90           HH2      TRP  90  13.819   6.546   6.225
  661    H    VAL  91           H        VAL  91  19.714  -0.992   6.257
  662    HA   VAL  91           HA       VAL  91  20.025  -1.596   3.390
  663    HB   VAL  91           HB       VAL  91  22.056  -0.877   4.749
  664   HG11  VAL  91          HG11      VAL  91  21.689  -2.410   6.716
  665   HG12  VAL  91          HG12      VAL  91  22.085  -3.781   5.666
  666   HG13  VAL  91          HG13      VAL  91  23.292  -2.521   5.993
  667   HG21  VAL  91          HG21      VAL  91  23.574  -2.301   3.509
  668   HG22  VAL  91          HG22      VAL  91  22.254  -3.426   3.126
  669   HG23  VAL  91          HG23      VAL  91  22.224  -1.761   2.505
  670    H    THR  92           H        THR  92  18.069  -2.496   5.846
  671    HA   THR  92           HA       THR  92  18.146  -5.356   5.084
  672    HB   THR  92           HB       THR  92  17.578  -5.867   7.443
  673    HG1  THR  92           HG1      THR  92  16.637  -4.027   8.164
  674   HG21  THR  92          HG21      THR  92  20.056  -4.098   7.374
  675   HG22  THR  92          HG22      THR  92  19.717  -5.462   8.452
  676   HG23  THR  92          HG23      THR  92  19.999  -5.757   6.727
  677    H    GLN  93           H        GLN  93  16.528  -3.208   3.954
  678    HA   GLN  93           HA       GLN  93  13.767  -4.051   4.712
  679    HB2  GLN  93           HB2      GLN  93  14.602  -1.910   2.735
  680    HB3  GLN  93           HB3      GLN  93  12.974  -2.237   3.324
  681    HG2  GLN  93           HG2      GLN  93  15.293  -1.062   4.882
  682    HG3  GLN  93           HG3      GLN  93  13.763  -0.298   4.488
  683   HE21  GLN  93          HE22      GLN  93  15.398  -1.502   7.056
  684   HE22  GLN  93          HE21      GLN  93  14.071  -2.125   8.022
  685    H    GLU  94           H        GLU  94  12.399  -4.039   2.407
  686    HA   GLU  94           HA       GLU  94  13.036  -6.622   1.460
  687    HB2  GLU  94           HB2      GLU  94  11.103  -4.575   0.329
  688    HB3  GLU  94           HB3      GLU  94  11.135  -6.279  -0.103
  689    HG2  GLU  94           HG2      GLU  94  10.497  -5.142   2.652
  690    HG3  GLU  94           HG3      GLU  94   9.350  -5.824   1.506
  691    H    ILE  95           H        ILE  95  13.797  -3.438   0.079
  692    HA   ILE  95           HA       ILE  95  15.419  -4.855  -1.995
  693    HB   ILE  95           HB       ILE  95  13.574  -2.530  -2.366
  694   HG12  ILE  95          HG12      ILE  95  13.568  -5.406  -3.337
  695   HG13  ILE  95          HG13      ILE  95  12.308  -4.536  -2.450
  696   HG21  ILE  95          HG21      ILE  95  15.773  -2.221  -3.603
  697   HG22  ILE  95          HG22      ILE  95  15.530  -3.804  -4.368
  698   HG23  ILE  95          HG23      ILE  95  14.439  -2.445  -4.712
  699   HD11  ILE  95          HD11      ILE  95  11.983  -3.102  -4.500
  700   HD12  ILE  95          HD12      ILE  95  13.100  -4.217  -5.342
  701   HD13  ILE  95          HD13      ILE  95  11.569  -4.827  -4.691
  702    H    PHE  96           H        PHE  96  17.505  -3.975  -2.039
  703    HA   PHE  96           HA       PHE  96  17.928  -1.296  -1.116
  704    HB2  PHE  96           HB2      PHE  96  18.466  -2.424   0.952
  705    HB3  PHE  96           HB3      PHE  96  19.455  -3.615   0.096
  706    HD1  PHE  96           HD1      PHE  96  19.204   0.006   1.023
  707    HD2  PHE  96           HD2      PHE  96  21.698  -3.067  -0.715
  708    HE1  PHE  96           HE1      PHE  96  21.111   1.583   0.921
  709    HE2  PHE  96           HE2      PHE  96  23.566  -1.433  -0.901
  710    HZ   PHE  96           HZ       PHE  96  23.296   0.858   0.007
  711    H    GLU  97           H        GLU  97  19.422  -0.324  -2.386
  712    HA   GLU  97           HA       GLU  97  21.478  -1.873  -3.778
  713    HB2  GLU  97           HB2      GLU  97  19.441  -0.120  -5.226
  714    HB3  GLU  97           HB3      GLU  97  21.063  -0.408  -5.857
  715    HG2  GLU  97           HG2      GLU  97  20.681  -2.827  -5.807
  716    HG3  GLU  97           HG3      GLU  97  18.980  -2.548  -5.363
  717    H    ASP  98           H        ASP  98  23.202  -0.506  -4.368
  718    HA   ASP  98           HA       ASP  98  23.118   2.291  -3.439
  719    HB2  ASP  98           HB2      ASP  98  24.607   1.201  -1.908
  720    HB3  ASP  98           HB3      ASP  98  25.500   0.455  -3.239
  721    H    TRP  99           H        TRP  99  22.817   3.387  -5.246
  722    HA   TRP  99           HA       TRP  99  23.887   2.597  -7.858
  723    HB2  TRP  99           HB2      TRP  99  22.274   5.012  -6.980
  724    HB3  TRP  99           HB3      TRP  99  22.648   4.537  -8.618
  725    HD1  TRP  99           HD1      TRP  99  21.686   1.341  -7.187
  726    HE1  TRP  99           HE1      TRP  99  19.236   0.806  -7.644
  727    HE3  TRP  99           HE3      TRP  99  20.165   6.005  -8.564
  728    HZ2  TRP  99           HZ2      TRP  99  16.782   2.342  -8.293
  729    HZ3  TRP  99           HZ3      TRP  99  17.776   6.473  -9.007
  730    HH2  TRP  99           HH2      TRP  99  16.109   4.663  -8.850
  731    H    GLN 100           H        GLN 100  26.111   2.696  -7.705
  732    HA   GLN 100           HA       GLN 100  27.522   4.925  -6.617
  733    HB2  GLN 100           HB2      GLN 100  28.392   2.583  -6.967
  734    HB3  GLN 100           HB3      GLN 100  28.497   2.915  -8.701
  735    HG2  GLN 100           HG2      GLN 100  30.074   4.787  -8.232
  736    HG3  GLN 100           HG3      GLN 100  29.893   4.492  -6.497
  737   HE21  GLN 100          HE22      GLN 100  30.735   2.444  -5.586
  738   HE22  GLN 100          HE21      GLN 100  32.031   1.619  -6.410
  739    H    LEU 101           H        LEU 101  27.137   6.949  -7.412
  740    HA   LEU 101           HA       LEU 101  27.192   7.454 -10.345
  741    HB2  LEU 101           HB2      LEU 101  25.319   8.279  -8.118
  742    HB3  LEU 101           HB3      LEU 101  25.697   9.486  -9.324
  743    HG   LEU 101           HG       LEU 101  23.710   8.607  -9.972
  744   HD11  LEU 101          HD11      LEU 101  23.980   7.633 -12.132
  745   HD12  LEU 101          HD12      LEU 101  25.364   8.704 -11.888
  746   HD13  LEU 101          HD13      LEU 101  25.560   6.946 -11.728
  747   HD21  LEU 101          HD21      LEU 101  24.688   5.773  -9.686
  748   HD22  LEU 101          HD22      LEU 101  23.573   6.656  -8.609
  749   HD23  LEU 101          HD23      LEU 101  23.091   6.289 -10.271
  750    H    GLU 102           H        GLU 102  27.916   9.568 -10.939
  751    HA   GLU 102           HA       GLU 102  30.158  10.416  -9.375
  752    HB2  GLU 102           HB2      GLU 102  29.167  11.203 -12.147
  753    HB3  GLU 102           HB3      GLU 102  30.635  11.855 -11.407
  754    HG2  GLU 102           HG2      GLU 102  31.551   9.567 -11.168
  755    HG3  GLU 102           HG3      GLU 102  30.123   8.906 -11.969
  756    H    ASP 103           H        ASP 103  28.573  10.945  -7.729
  757    HA   ASP 103           HA       ASP 103  27.178  12.688  -6.728
  758    HB2  ASP 103           HB2      ASP 103  28.960  11.657  -5.586
  759    HB3  ASP 103           HB3      ASP 103  30.133  12.844  -6.177
  760    HA   PRO 104           HA       PRO 104  27.712  15.921  -9.859
  761    HB2  PRO 104           HB2      PRO 104  24.902  16.570  -9.034
  762    HB3  PRO 104           HB3      PRO 104  25.676  16.606 -10.663
  763    HG2  PRO 104           HG2      PRO 104  24.217  14.462  -9.948
  764    HG3  PRO 104           HG3      PRO 104  25.802  14.261 -10.771
  765    HD2  PRO 104           HD2      PRO 104  25.121  13.977  -7.861
  766    HD3  PRO 104           HD3      PRO 104  26.183  12.947  -8.877
  767    H    ASP 105           H        ASP 105  27.468  16.419  -6.519
  768    HA   ASP 105           HA       ASP 105  26.916  19.179  -6.310
  769    HB2  ASP 105           HB2      ASP 105  26.913  17.423  -4.506
  770    HB3  ASP 105           HB3      ASP 105  28.667  17.513  -4.462
  771    H    GLY 106           H        GLY 106  27.992  20.246  -7.946
  772    HA2  GLY 106           HA2      GLY 106  29.505  22.084  -8.056
  773    HA3  GLY 106           HA3      GLY 106  30.743  21.129  -7.235
  774    H    GLN 107           H        GLN 107  28.975  19.458  -9.787
  775    HA   GLN 107           HA       GLN 107  31.547  19.213 -11.188
  776    HB2  GLN 107           HB2      GLN 107  28.944  17.757 -11.717
  777    HB3  GLN 107           HB3      GLN 107  30.566  17.290 -12.243
  778    HG2  GLN 107           HG2      GLN 107  29.645  17.383  -9.360
  779    HG3  GLN 107           HG3      GLN 107  29.676  15.957 -10.397
  780   HE21  GLN 107          HE22      GLN 107  30.876  15.380  -8.295
  781   HE22  GLN 107          HE21      GLN 107  32.633  15.446  -8.421
  782    H    SER 108           H        SER 108  31.190  18.662 -13.641
  783    HA   SER 108           HA       SER 108  30.475  21.109 -15.041
  784    HB2  SER 108           HB2      SER 108  31.378  18.341 -15.954
  785    HB3  SER 108           HB3      SER 108  31.348  19.804 -16.967
  786    HG   SER 108           HG       SER 108  33.434  19.385 -16.107
  787    H    LEU 109           H        LEU 109  28.860  21.173 -16.772
  788    HA   LEU 109           HA       LEU 109  26.379  20.014 -16.149
  789    HB2  LEU 109           HB2      LEU 109  27.373  21.004 -18.848
  790    HB3  LEU 109           HB3      LEU 109  25.688  20.632 -18.473
  791    HG   LEU 109           HG       LEU 109  27.339  22.770 -17.071
  792   HD11  LEU 109          HD11      LEU 109  26.862  23.333 -19.430
  793   HD12  LEU 109          HD12      LEU 109  25.130  23.034 -19.163
  794   HD13  LEU 109          HD13      LEU 109  25.948  24.377 -18.331
  795   HD21  LEU 109          HD21      LEU 109  24.368  22.082 -16.859
  796   HD22  LEU 109          HD22      LEU 109  25.585  21.959 -15.569
  797   HD23  LEU 109          HD23      LEU 109  25.124  23.543 -16.185
  798    H    GLU 110           H        GLU 110  28.916  18.788 -18.319
  799    HA   GLU 110           HA       GLU 110  27.407  16.705 -19.473
  800    HB2  GLU 110           HB2      GLU 110  29.581  17.568 -20.263
  801    HB3  GLU 110           HB3      GLU 110  30.390  16.834 -18.871
  802    HG2  GLU 110           HG2      GLU 110  29.694  14.580 -19.637
  803    HG3  GLU 110           HG3      GLU 110  28.802  15.299 -20.981
  804    H    VAL 111           H        VAL 111  29.168  16.849 -16.345
  805    HA   VAL 111           HA       VAL 111  28.831  14.038 -15.724
  806    HB   VAL 111           HB       VAL 111  29.328  16.434 -13.948
  807   HG11  VAL 111          HG11      VAL 111  30.165  14.681 -12.297
  808   HG12  VAL 111          HG12      VAL 111  28.415  14.738 -12.513
  809   HG13  VAL 111          HG13      VAL 111  29.372  13.464 -13.309
  810   HG21  VAL 111          HG21      VAL 111  31.248  14.317 -15.018
  811   HG22  VAL 111          HG22      VAL 111  31.186  16.008 -15.546
  812   HG23  VAL 111          HG23      VAL 111  31.674  15.623 -13.894
  813    H    PHE 112           H        PHE 112  27.107  17.091 -14.915
  814    HA   PHE 112           HA       PHE 112  25.035  15.995 -13.354
  815    HB2  PHE 112           HB2      PHE 112  25.365  18.450 -15.064
  816    HB3  PHE 112           HB3      PHE 112  23.762  18.001 -14.581
  817    HD1  PHE 112           HD1      PHE 112  23.102  17.835 -12.170
  818    HD2  PHE 112           HD2      PHE 112  26.892  19.449 -13.466
  819    HE1  PHE 112           HE1      PHE 112  23.402  18.927  -9.961
  820    HE2  PHE 112           HE2      PHE 112  27.200  20.487 -11.239
  821    HZ   PHE 112           HZ       PHE 112  25.506  20.159  -9.489
  822    H    ARG 113           H        ARG 113  25.029  16.570 -16.930
  823    HA   ARG 113           HA       ARG 113  22.490  15.395 -17.381
  824    HB2  ARG 113           HB2      ARG 113  24.931  15.999 -19.077
  825    HB3  ARG 113           HB3      ARG 113  23.670  14.987 -19.772
  826    HG2  ARG 113           HG2      ARG 113  22.151  16.653 -19.942
  827    HG3  ARG 113           HG3      ARG 113  22.637  17.425 -18.438
  828    HD2  ARG 113           HD2      ARG 113  24.527  18.478 -19.485
  829    HD3  ARG 113           HD3      ARG 113  24.186  17.644 -21.027
  830    HE   ARG 113           HE       ARG 113  21.834  19.001 -20.257
  831   HH11  ARG 113          HH11      ARG 113  25.160  19.887 -21.212
  832   HH12  ARG 113          HH12      ARG 113  24.707  21.412 -21.875
  833   HH21  ARG 113          HH21      ARG 113  21.236  20.930 -21.212
  834   HH22  ARG 113          HH22      ARG 113  22.406  22.053 -21.862
  835    H    THR 114           H        THR 114  25.760  13.799 -17.332
  836    HA   THR 114           HA       THR 114  24.782  11.305 -18.220
  837    HB   THR 114           HB       THR 114  27.149  12.012 -16.417
  838    HG1  THR 114           HG1      THR 114  27.382  13.096 -18.305
  839   HG21  THR 114          HG21      THR 114  28.131   9.946 -17.340
  840   HG22  THR 114          HG22      THR 114  26.680   9.639 -16.366
  841   HG23  THR 114          HG23      THR 114  26.578   9.589 -18.146
  842    H    VAL 115           H        VAL 115  25.392  12.556 -14.842
  843    HA   VAL 115           HA       VAL 115  24.393  10.235 -13.584
  844    HB   VAL 115           HB       VAL 115  24.658  13.061 -12.627
  845   HG11  VAL 115          HG11      VAL 115  24.650  11.953 -10.299
  846   HG12  VAL 115          HG12      VAL 115  23.085  12.062 -11.115
  847   HG13  VAL 115          HG13      VAL 115  23.975  10.533 -11.101
  848   HG21  VAL 115          HG21      VAL 115  26.816  12.001 -13.241
  849   HG22  VAL 115          HG22      VAL 115  26.703  12.209 -11.498
  850   HG23  VAL 115          HG23      VAL 115  26.435  10.614 -12.220
  851    H    ARG 116           H        ARG 116  22.680  13.281 -14.541
  852    HA   ARG 116           HA       ARG 116  20.255  12.645 -13.273
  853    HB2  ARG 116           HB2      ARG 116  20.871  14.837 -14.105
  854    HB3  ARG 116           HB3      ARG 116  20.860  14.305 -15.772
  855    HG2  ARG 116           HG2      ARG 116  18.413  14.011 -14.031
  856    HG3  ARG 116           HG3      ARG 116  18.824  15.594 -14.571
  857    HD2  ARG 116           HD2      ARG 116  17.452  13.480 -16.026
  858    HD3  ARG 116           HD3      ARG 116  17.421  15.235 -16.248
  859    HE   ARG 116           HE       ARG 116  19.081  13.245 -17.633
  860   HH11  ARG 116          HH11      ARG 116  18.315  16.701 -17.271
  861   HH12  ARG 116          HH12      ARG 116  19.484  17.204 -18.462
  862   HH21  ARG 116          HH21      ARG 116  20.469  13.937 -19.340
  863   HH22  ARG 116          HH22      ARG 116  20.487  15.605 -19.792
  864    H    GLY 117           H        GLY 117  21.361  11.826 -16.600
  865    HA2  GLY 117           HA2      GLY 117  18.980  10.434 -17.358
  866    HA3  GLY 117           HA3      GLY 117  20.600  10.223 -18.060
  867    H    GLN 118           H        GLN 118  22.062   9.294 -15.830
  868    HA   GLN 118           HA       GLN 118  21.419   6.537 -15.958
  869    HB2  GLN 118           HB2      GLN 118  23.307   8.181 -14.249
  870    HB3  GLN 118           HB3      GLN 118  23.305   6.428 -14.192
  871    HG2  GLN 118           HG2      GLN 118  23.729   7.929 -16.816
  872    HG3  GLN 118           HG3      GLN 118  25.032   7.650 -15.671
  873   HE21  GLN 118          HE22      GLN 118  26.107   6.493 -17.416
  874   HE22  GLN 118          HE21      GLN 118  25.655   4.843 -17.769
  875    H    VAL 119           H        VAL 119  21.129   8.859 -13.258
  876    HA   VAL 119           HA       VAL 119  19.792   7.239 -11.377
  877    HB   VAL 119           HB       VAL 119  19.599  10.248 -11.919
  878   HG11  VAL 119          HG11      VAL 119  17.594   9.645 -10.665
  879   HG12  VAL 119          HG12      VAL 119  18.559   8.699  -9.514
  880   HG13  VAL 119          HG13      VAL 119  18.736  10.465  -9.601
  881   HG21  VAL 119          HG21      VAL 119  21.843   9.305 -11.172
  882   HG22  VAL 119          HG22      VAL 119  21.127  10.418 -10.001
  883   HG23  VAL 119          HG23      VAL 119  21.051   8.663  -9.727
  884    H    LYS 120           H        LYS 120  18.312   9.325 -13.982
  885    HA   LYS 120           HA       LYS 120  15.647   8.716 -13.254
  886    HB2  LYS 120           HB2      LYS 120  16.175  10.563 -14.750
  887    HB3  LYS 120           HB3      LYS 120  16.873   9.462 -15.946
  888    HG2  LYS 120           HG2      LYS 120  14.679   8.446 -16.361
  889    HG3  LYS 120           HG3      LYS 120  13.939   9.475 -15.115
  890    HD2  LYS 120           HD2      LYS 120  14.511  11.483 -16.403
  891    HD3  LYS 120           HD3      LYS 120  15.340  10.520 -17.627
  892    HE2  LYS 120           HE2      LYS 120  12.371  10.266 -16.944
  893    HE3  LYS 120           HE3      LYS 120  13.009  11.276 -18.244
  894    HZ1  LYS 120           HZ1      LYS 120  13.229   8.312 -18.103
  895    HZ2  LYS 120           HZ2      LYS 120  12.311   9.185 -19.127
  896    HZ3  LYS 120           HZ3      LYS 120  13.931   9.251 -19.258
  897    H    GLU 121           H        GLU 121  17.824   7.045 -15.542
  898    HA   GLU 121           HA       GLU 121  16.022   5.095 -16.449
  899    HB2  GLU 121           HB2      GLU 121  17.998   5.088 -17.666
  900    HB3  GLU 121           HB3      GLU 121  18.948   5.613 -16.288
  901    HG2  GLU 121           HG2      GLU 121  19.801   3.559 -16.968
  902    HG3  GLU 121           HG3      GLU 121  19.114   3.428 -15.375
  903    H    ARG 122           H        ARG 122  18.136   5.198 -13.528
  904    HA   ARG 122           HA       ARG 122  17.507   2.475 -12.810
  905    HB2  ARG 122           HB2      ARG 122  18.831   4.766 -11.338
  906    HB3  ARG 122           HB3      ARG 122  18.578   3.157 -10.630
  907    HG2  ARG 122           HG2      ARG 122  20.016   2.063 -12.046
  908    HG3  ARG 122           HG3      ARG 122  19.950   3.328 -13.272
  909    HD2  ARG 122           HD2      ARG 122  21.208   4.871 -11.794
  910    HD3  ARG 122           HD3      ARG 122  21.232   3.637 -10.528
  911    HE   ARG 122           HE       ARG 122  23.032   2.689 -11.505
  912   HH11  ARG 122          HH11      ARG 122  21.319   4.450 -14.080
  913   HH12  ARG 122          HH12      ARG 122  22.568   4.180 -15.264
  914   HH21  ARG 122          HH21      ARG 122  24.653   2.313 -13.111
  915   HH22  ARG 122          HH22      ARG 122  24.439   2.908 -14.714
  916    H    VAL 123           H        VAL 123  16.168   5.654 -11.565
  917    HA   VAL 123           HA       VAL 123  14.236   4.610  -9.905
  918    HB   VAL 123           HB       VAL 123  14.063   6.953 -11.843
  919   HG11  VAL 123          HG11      VAL 123  12.349   6.314  -9.403
  920   HG12  VAL 123          HG12      VAL 123  12.353   7.823 -10.354
  921   HG13  VAL 123          HG13      VAL 123  11.802   6.324 -11.092
  922   HG21  VAL 123          HG21      VAL 123  15.906   7.172 -10.171
  923   HG22  VAL 123          HG22      VAL 123  14.611   8.323  -9.880
  924   HG23  VAL 123          HG23      VAL 123  14.746   6.874  -8.869
  925    H    GLU 124           H        GLU 124  13.961   4.979 -13.551
  926    HA   GLU 124           HA       GLU 124  11.383   3.814 -13.675
  927    HB2  GLU 124           HB2      GLU 124  13.617   3.839 -15.760
  928    HB3  GLU 124           HB3      GLU 124  11.979   3.266 -16.064
  929    HG2  GLU 124           HG2      GLU 124  11.085   5.502 -15.495
  930    HG3  GLU 124           HG3      GLU 124  12.737   6.084 -15.229
  931    H    ASN 125           H        ASN 125  14.588   2.353 -13.736
  932    HA   ASN 125           HA       ASN 125  13.865  -0.313 -14.312
  933    HB2  ASN 125           HB2      ASN 125  16.182   0.974 -14.141
  934    HB3  ASN 125           HB3      ASN 125  16.180   0.422 -12.475
  935   HD21  ASN 125          HD22      ASN 125  17.598  -0.157 -15.274
  936   HD22  ASN 125          HD21      ASN 125  17.749  -1.911 -15.206
  937    H    LEU 126           H        LEU 126  14.282   1.363 -11.212
  938    HA   LEU 126           HA       LEU 126  13.571  -0.851  -9.598
  939    HB2  LEU 126           HB2      LEU 126  14.230   0.334  -7.883
  940    HB3  LEU 126           HB3      LEU 126  14.748   1.513  -9.060
  941    HG   LEU 126           HG       LEU 126  12.367   2.516  -8.790
  942   HD11  LEU 126          HD11      LEU 126  12.620   1.131  -6.073
  943   HD12  LEU 126          HD12      LEU 126  11.283   2.155  -6.632
  944   HD13  LEU 126          HD13      LEU 126  11.546   0.541  -7.323
  945   HD21  LEU 126          HD21      LEU 126  14.277   2.730  -6.454
  946   HD22  LEU 126          HD22      LEU 126  14.475   3.561  -8.003
  947   HD23  LEU 126          HD23      LEU 126  13.077   3.929  -6.996
  948    H    ILE 127           H        ILE 127  11.570   1.870 -10.733
  949    HA   ILE 127           HA       ILE 127   9.094   1.050  -9.648
  950    HB   ILE 127           HB       ILE 127   9.981   2.603 -12.103
  951   HG12  ILE 127          HG12      ILE 127   8.433   3.512  -9.622
  952   HG13  ILE 127          HG13      ILE 127  10.195   3.572  -9.736
  953   HG21  ILE 127          HG21      ILE 127   7.582   3.329 -12.392
  954   HG22  ILE 127          HG22      ILE 127   7.915   1.668 -12.821
  955   HG23  ILE 127          HG23      ILE 127   7.136   2.015 -11.258
  956   HD11  ILE 127          HD11      ILE 127   8.206   5.182 -11.390
  957   HD12  ILE 127          HD12      ILE 127   9.427   5.765 -10.258
  958   HD13  ILE 127          HD13      ILE 127   9.929   5.048 -11.799
  959    H    ALA 128           H        ALA 128  10.773  -0.078 -12.638
  960    HA   ALA 128           HA       ALA 128   8.528  -1.359 -13.748
  961    HB1  ALA 128           HB1      ALA 128  10.130  -2.643 -15.102
  962    HB2  ALA 128           HB2      ALA 128  10.633  -0.947 -14.986
  963    HB3  ALA 128           HB3      ALA 128  11.454  -2.190 -14.014
  964    H    LYS 129           H        LYS 129  10.732  -2.444 -11.268
  965    HA   LYS 129           HA       LYS 129  10.032  -5.191 -11.154
  966    HB2  LYS 129           HB2      LYS 129  11.251  -3.310  -9.141
  967    HB3  LYS 129           HB3      LYS 129  11.231  -5.072  -8.966
  968    HG2  LYS 129           HG2      LYS 129  12.606  -5.351 -10.964
  969    HG3  LYS 129           HG3      LYS 129  12.492  -3.633 -11.341
  970    HD2  LYS 129           HD2      LYS 129  13.530  -3.313  -8.935
  971    HD3  LYS 129           HD3      LYS 129  14.082  -4.978  -9.177
  972    HE2  LYS 129           HE2      LYS 129  14.632  -2.524 -10.914
  973    HE3  LYS 129           HE3      LYS 129  15.804  -3.333  -9.875
  974    HZ1  LYS 129           HZ1      LYS 129  15.946  -3.820 -12.290
  975    HZ2  LYS 129           HZ2      LYS 129  15.826  -5.182 -11.367
  976    HZ3  LYS 129           HZ3      LYS 129  14.542  -4.623 -12.225
  977    H    ILE 130           H        ILE 130   8.459  -2.322  -9.806
  978    HA   ILE 130           HA       ILE 130   6.833  -3.938  -8.006
  979    HB   ILE 130           HB       ILE 130   6.700  -1.689  -6.820
  980   HG12  ILE 130          HG12      ILE 130   8.904  -0.939  -8.667
  981   HG13  ILE 130          HG13      ILE 130   7.352  -0.138  -8.434
  982   HG21  ILE 130          HG21      ILE 130   8.155  -3.742  -6.213
  983   HG22  ILE 130          HG22      ILE 130   9.487  -2.924  -7.055
  984   HG23  ILE 130          HG23      ILE 130   8.769  -2.210  -5.590
  985   HD11  ILE 130          HD11      ILE 130   9.668  -0.311  -6.467
  986   HD12  ILE 130          HD12      ILE 130   9.134   1.113  -7.359
  987   HD13  ILE 130          HD13      ILE 130   8.088   0.403  -6.090
  988    H    SER 131           H        SER 131   6.618  -1.650 -10.549
  989    HA   SER 131           HA       SER 131   4.196  -0.454 -10.462
  990    HB2  SER 131           HB2      SER 131   5.362  -1.938 -12.848
  991    HB3  SER 131           HB3      SER 131   4.033  -0.768 -12.930
  992    HG   SER 131           HG       SER 131   6.675  -0.275 -11.968
  Start of MODEL    4
    1    H    MET   1           H        MET   1   0.461  -0.423  -2.950
    2    HA   MET   1           HA       MET   1   2.505   0.589  -3.693
    3    HB2  MET   1           HB2      MET   1   0.910   2.049  -2.640
    4    HB3  MET   1           HB3      MET   1   1.429   1.584  -1.018
    5    HG2  MET   1           HG2      MET   1   3.477   2.748  -1.196
    6    HG3  MET   1           HG3      MET   1   3.358   2.906  -2.941
    7    HE1  MET   1           HE1      MET   1   2.202   4.744  -4.256
    8    HE2  MET   1           HE2      MET   1   0.630   4.085  -3.751
    9    HE3  MET   1           HE3      MET   1   0.960   5.821  -3.590
   10    H    LYS   2           H        LYS   2   4.684   1.127  -3.345
   11    HA   LYS   2           HA       LYS   2   6.065  -0.223  -1.045
   12    HB2  LYS   2           HB2      LYS   2   6.906   0.061  -3.978
   13    HB3  LYS   2           HB3      LYS   2   8.016  -0.391  -2.692
   14    HG2  LYS   2           HG2      LYS   2   5.518  -1.958  -3.509
   15    HG3  LYS   2           HG3      LYS   2   7.175  -2.306  -4.005
   16    HD2  LYS   2           HD2      LYS   2   7.789  -2.505  -1.572
   17    HD3  LYS   2           HD3      LYS   2   6.057  -2.465  -1.182
   18    HE2  LYS   2           HE2      LYS   2   5.695  -4.456  -2.648
   19    HE3  LYS   2           HE3      LYS   2   7.422  -4.463  -3.042
   20    HZ1  LYS   2           HZ1      LYS   2   6.232  -4.986  -0.391
   21    HZ2  LYS   2           HZ2      LYS   2   7.082  -6.029  -1.318
   22    HZ3  LYS   2           HZ3      LYS   2   7.837  -4.734  -0.622
   23    H    LYS   3           H        LYS   3   7.428   1.123   0.119
   24    HA   LYS   3           HA       LYS   3   7.478   3.962  -0.774
   25    HB2  LYS   3           HB2      LYS   3   7.683   2.584   1.897
   26    HB3  LYS   3           HB3      LYS   3   8.642   4.034   1.679
   27    HG2  LYS   3           HG2      LYS   3   6.797   5.353   0.880
   28    HG3  LYS   3           HG3      LYS   3   5.683   3.969   0.946
   29    HD2  LYS   3           HD2      LYS   3   5.837   3.903   3.372
   30    HD3  LYS   3           HD3      LYS   3   7.164   5.096   3.356
   31    HE2  LYS   3           HE2      LYS   3   5.671   6.794   2.431
   32    HE3  LYS   3           HE3      LYS   3   4.319   5.645   2.423
   33    HZ1  LYS   3           HZ1      LYS   3   5.802   6.413   4.872
   34    HZ2  LYS   3           HZ2      LYS   3   4.394   7.142   4.402
   35    HZ3  LYS   3           HZ3      LYS   3   4.421   5.555   4.806
   36    H    VAL   4           H        VAL   4   9.255   4.986  -1.401
   37    HA   VAL   4           HA       VAL   4  11.766   3.381  -1.541
   38    HB   VAL   4           HB       VAL   4  10.617   5.463  -3.441
   39   HG11  VAL   4          HG11      VAL   4  13.091   5.403  -3.509
   40   HG12  VAL   4          HG12      VAL   4  13.050   3.643  -3.751
   41   HG13  VAL   4          HG13      VAL   4  12.397   4.741  -4.986
   42   HG21  VAL   4          HG21      VAL   4  10.232   3.634  -5.011
   43   HG22  VAL   4          HG22      VAL   4  10.790   2.442  -3.827
   44   HG23  VAL   4          HG23      VAL   4   9.296   3.361  -3.548
   45    H    MET   5           H        MET   5  13.463   4.258  -0.465
   46    HA   MET   5           HA       MET   5  13.483   7.214   0.000
   47    HB2  MET   5           HB2      MET   5  13.538   5.946   2.093
   48    HB3  MET   5           HB3      MET   5  14.926   5.011   1.511
   49    HG2  MET   5           HG2      MET   5  15.722   6.760   2.994
   50    HG3  MET   5           HG3      MET   5  16.246   7.098   1.362
   51    HE1  MET   5           HE1      MET   5  13.453   9.570   3.999
   52    HE2  MET   5           HE2      MET   5  13.391   7.796   3.892
   53    HE3  MET   5           HE3      MET   5  14.850   8.596   4.506
   54    H    PHE   6           H        PHE   6  15.214   8.355  -0.850
   55    HA   PHE   6           HA       PHE   6  17.342   6.822  -2.260
   56    HB2  PHE   6           HB2      PHE   6  16.434   9.646  -2.750
   57    HB3  PHE   6           HB3      PHE   6  17.825   8.839  -3.494
   58    HD1  PHE   6           HD2      PHE   6  17.528   6.947  -5.073
   59    HD2  PHE   6           HD1      PHE   6  14.171   9.174  -3.486
   60    HE1  PHE   6           HE2      PHE   6  16.081   6.057  -6.925
   61    HE2  PHE   6           HE1      PHE   6  12.757   8.186  -5.329
   62    HZ   PHE   6           HZ       PHE   6  13.689   6.677  -6.983
   63    H    VAL   7           H        VAL   7  19.448   7.061  -1.228
   64    HA   VAL   7           HA       VAL   7  19.643   9.101   0.969
   65    HB   VAL   7           HB       VAL   7  20.760   6.257   1.039
   66   HG11  VAL   7          HG11      VAL   7  20.981   6.659   3.432
   67   HG12  VAL   7          HG12      VAL   7  21.890   7.856   2.521
   68   HG13  VAL   7          HG13      VAL   7  20.329   8.300   3.252
   69   HG21  VAL   7          HG21      VAL   7  19.023   5.576   2.576
   70   HG22  VAL   7          HG22      VAL   7  18.187   7.121   2.351
   71   HG23  VAL   7          HG23      VAL   7  18.348   5.966   0.996
   72    H    CYS   8           H        CYS   8  21.473  10.442   0.617
   73    HA   CYS   8           HA       CYS   8  23.775   9.208  -0.863
   74    HB2  CYS   8           HB2      CYS   8  22.525  10.656  -2.406
   75    HB3  CYS   8           HB3      CYS   8  22.524  11.960  -1.250
   76    HG   CYS   8           HG       CYS   8  24.883  10.583  -3.048
   77    H    LYS   9           H        LYS   9  25.810  10.149  -0.491
   78    HA   LYS   9           HA       LYS   9  26.417  10.824   2.213
   79    HB2  LYS   9           HB2      LYS   9  27.848  10.503  -0.391
   80    HB3  LYS   9           HB3      LYS   9  28.607  11.654   0.728
   81    HG2  LYS   9           HG2      LYS   9  28.647   9.974   2.501
   82    HG3  LYS   9           HG3      LYS   9  27.765   8.827   1.480
   83    HD2  LYS   9           HD2      LYS   9  29.653   8.838  -0.148
   84    HD3  LYS   9           HD3      LYS   9  30.558   9.928   0.904
   85    HE2  LYS   9           HE2      LYS   9  29.565   7.145   1.721
   86    HE3  LYS   9           HE3      LYS   9  31.173   7.476   1.073
   87    HZ1  LYS   9           HZ1      LYS   9  31.233   7.418   3.469
   88    HZ2  LYS   9           HZ2      LYS   9  31.600   8.920   2.970
   89    HZ3  LYS   9           HZ3      LYS   9  30.127   8.605   3.607
   90    H    ARG  10           H        ARG  10  25.060  12.856  -0.250
   91    HA   ARG  10           HA       ARG  10  25.351  15.109   1.672
   92    HB2  ARG  10           HB2      ARG  10  25.781  16.696  -0.096
   93    HB3  ARG  10           HB3      ARG  10  27.036  15.465  -0.072
   94    HG2  ARG  10           HG2      ARG  10  26.173  14.417  -2.105
   95    HG3  ARG  10           HG3      ARG  10  24.679  15.361  -2.023
   96    HD2  ARG  10           HD2      ARG  10  26.034  16.359  -3.682
   97    HD3  ARG  10           HD3      ARG  10  26.014  17.447  -2.286
   98    HE   ARG  10           HE       ARG  10  28.213  15.584  -3.087
   99   HH11  ARG  10          HH11      ARG  10  27.342  18.848  -1.994
  100   HH12  ARG  10          HH12      ARG  10  28.902  19.195  -1.322
  101   HH21  ARG  10          HH21      ARG  10  30.306  16.094  -2.359
  102   HH22  ARG  10          HH22      ARG  10  30.669  17.637  -1.678
  103    H    ASN  11           H        ASN  11  23.159  13.326  -0.220
  104    HA   ASN  11           HA       ASN  11  20.981  13.488  -0.810
  105    HB2  ASN  11           HB2      ASN  11  20.485  14.243   1.448
  106    HB3  ASN  11           HB3      ASN  11  20.825  15.909   1.004
  107   HD21  ASN  11          HD22      ASN  11  18.639  13.170   0.098
  108   HD22  ASN  11          HD21      ASN  11  17.325  14.222  -0.430
  109    H    SER  12           H        SER  12  22.534  16.715  -0.920
  110    HA   SER  12           HA       SER  12  21.035  18.267  -2.260
  111    HB2  SER  12           HB2      SER  12  23.979  17.959  -2.900
  112    HB3  SER  12           HB3      SER  12  23.031  19.449  -3.028
  113    HG   SER  12           HG       SER  12  22.775  19.507  -0.876
  114    H    CYS  13           H        CYS  13  22.208  15.560  -4.163
  115    HA   CYS  13           HA       CYS  13  21.031  16.816  -6.576
  116    HB2  CYS  13           HB2      CYS  13  23.944  15.955  -6.347
  117    HB3  CYS  13           HB3      CYS  13  23.072  15.922  -7.896
  118    HG   CYS  13           HG       CYS  13  22.772  18.531  -5.982
  119    H    ARG  14           H        ARG  14  22.944  13.844  -5.653
  120    HA   ARG  14           HA       ARG  14  21.733  12.358  -7.677
  121    HB2  ARG  14           HB2      ARG  14  23.074  11.363  -5.141
  122    HB3  ARG  14           HB3      ARG  14  22.500  10.285  -6.435
  123    HG2  ARG  14           HG2      ARG  14  23.855  11.383  -8.096
  124    HG3  ARG  14           HG3      ARG  14  24.403  12.602  -6.943
  125    HD2  ARG  14           HD2      ARG  14  24.915   9.634  -6.522
  126    HD3  ARG  14           HD3      ARG  14  25.981  10.663  -7.494
  127    HE   ARG  14           HE       ARG  14  25.662  12.007  -5.059
  128   HH11  ARG  14          HH21      ARG  14  27.490   9.308  -6.474
  129   HH12  ARG  14          HH22      ARG  14  28.358   8.986  -4.999
  130   HH21  ARG  14          HH12      ARG  14  27.029  11.702  -3.236
  131   HH22  ARG  14          HH11      ARG  14  28.159  10.370  -3.208
  132    H    SER  15           H        SER  15  20.843  12.377  -4.138
  133    HA   SER  15           HA       SER  15  18.558  10.736  -4.490
  134    HB2  SER  15           HB2      SER  15  18.681  12.785  -2.303
  135    HB3  SER  15           HB3      SER  15  18.203  11.075  -2.244
  136    HG   SER  15           HG       SER  15  20.098  11.217  -1.215
  137    H    GLN  16           H        GLN  16  18.967  14.304  -4.349
  138    HA   GLN  16           HA       GLN  16  16.254  15.009  -4.199
  139    HB2  GLN  16           HB2      GLN  16  18.778  16.376  -5.186
  140    HB3  GLN  16           HB3      GLN  16  17.242  17.202  -5.331
  141    HG2  GLN  16           HG2      GLN  16  18.207  16.018  -2.703
  142    HG3  GLN  16           HG3      GLN  16  18.612  17.654  -3.196
  143   HE21  GLN  16          HE22      GLN  16  17.138  16.918  -0.833
  144   HE22  GLN  16          HE21      GLN  16  15.523  17.616  -0.967
  145    H    MET  17           H        MET  17  18.286  14.600  -7.167
  146    HA   MET  17           HA       MET  17  16.105  15.237  -8.956
  147    HB2  MET  17           HB2      MET  17  18.733  13.732  -9.339
  148    HB3  MET  17           HB3      MET  17  17.574  14.050 -10.634
  149    HG2  MET  17           HG2      MET  17  17.694  16.510  -9.953
  150    HG3  MET  17           HG3      MET  17  19.154  16.099  -9.058
  151    HE1  MET  17           HE1      MET  17  21.686  15.287 -11.885
  152    HE2  MET  17           HE2      MET  17  21.471  15.752 -10.181
  153    HE3  MET  17           HE3      MET  17  20.825  14.197 -10.771
  154    H    ALA  18           H        ALA  18  17.460  12.124  -7.712
  155    HA   ALA  18           HA       ALA  18  15.844  10.415  -9.238
  156    HB1  ALA  18           HB1      ALA  18  16.740   9.943  -6.366
  157    HB2  ALA  18           HB2      ALA  18  16.377   8.736  -7.617
  158    HB3  ALA  18           HB3      ALA  18  17.808   9.757  -7.771
  159    H    GLU  19           H        GLU  19  15.146  12.102  -6.195
  160    HA   GLU  19           HA       GLU  19  12.641  10.820  -5.711
  161    HB2  GLU  19           HB2      GLU  19  13.637  11.855  -3.897
  162    HB3  GLU  19           HB3      GLU  19  13.912  13.385  -4.750
  163    HG2  GLU  19           HG2      GLU  19  11.551  13.933  -4.664
  164    HG3  GLU  19           HG3      GLU  19  11.144  12.329  -4.048
  165    H    GLY  20           H        GLY  20  13.326  14.086  -7.131
  166    HA2  GLY  20           HA2      GLY  20  10.712  14.765  -7.855
  167    HA3  GLY  20           HA3      GLY  20  12.163  15.244  -8.752
  168    H    PHE  21           H        PHE  21  12.990  12.631  -9.733
  169    HA   PHE  21           HA       PHE  21  11.093  12.233 -11.877
  170    HB2  PHE  21           HB2      PHE  21  13.415  10.491 -10.956
  171    HB3  PHE  21           HB3      PHE  21  12.460  10.204 -12.404
  172    HD1  PHE  21           HD1      PHE  21  12.151  12.518 -13.908
  173    HD2  PHE  21           HD2      PHE  21  15.507  11.464 -11.413
  174    HE1  PHE  21           HE1      PHE  21  13.534  14.312 -14.965
  175    HE2  PHE  21           HE2      PHE  21  16.875  13.183 -12.535
  176    HZ   PHE  21           HZ       PHE  21  15.836  14.638 -14.278
  177    H    ALA  22           H        ALA  22  11.811  10.284  -8.916
  178    HA   ALA  22           HA       ALA  22  10.061   8.179  -9.514
  179    HB1  ALA  22           HB1      ALA  22  11.792   8.072  -7.786
  180    HB2  ALA  22           HB2      ALA  22  10.951   9.318  -6.863
  181    HB3  ALA  22           HB3      ALA  22  10.208   7.717  -7.057
  182    H    LYS  23           H        LYS  23   9.262  11.214  -7.629
  183    HA   LYS  23           HA       LYS  23   6.566  10.325  -7.262
  184    HB2  LYS  23           HB2      LYS  23   6.169  12.807  -6.698
  185    HB3  LYS  23           HB3      LYS  23   7.131  11.806  -5.640
  186    HG2  LYS  23           HG2      LYS  23   9.096  12.824  -6.089
  187    HG3  LYS  23           HG3      LYS  23   8.604  13.393  -7.707
  188    HD2  LYS  23           HD2      LYS  23   7.328  14.417  -5.139
  189    HD3  LYS  23           HD3      LYS  23   8.859  15.096  -5.740
  190    HE2  LYS  23           HE2      LYS  23   7.872  15.600  -7.913
  191    HE3  LYS  23           HE3      LYS  23   6.320  14.885  -7.425
  192    HZ1  LYS  23           HZ1      LYS  23   6.119  16.636  -5.747
  193    HZ2  LYS  23           HZ2      LYS  23   7.546  17.297  -6.195
  194    HZ3  LYS  23           HZ3      LYS  23   6.283  17.298  -7.225
  195    H    THR  24           H        THR  24   8.118  11.620 -10.108
  196    HA   THR  24           HA       THR  24   5.522  12.339 -11.208
  197    HB   THR  24           HB       THR  24   8.291  12.132 -12.505
  198    HG1  THR  24           HG1      THR  24   8.518  13.684 -10.975
  199   HG21  THR  24          HG21      THR  24   7.317  13.744 -14.117
  200   HG22  THR  24          HG22      THR  24   6.462  12.193 -14.106
  201   HG23  THR  24          HG23      THR  24   5.746  13.600 -13.284
  202    H    LEU  25           H        LEU  25   8.022   9.848 -11.609
  203    HA   LEU  25           HA       LEU  25   6.759   8.496 -13.787
  204    HB2  LEU  25           HB2      LEU  25   9.000   7.718 -11.876
  205    HB3  LEU  25           HB3      LEU  25   8.582   6.814 -13.326
  206    HG   LEU  25           HG       LEU  25   9.581   9.704 -13.341
  207   HD11  LEU  25          HD11      LEU  25  11.268   8.264 -12.459
  208   HD12  LEU  25          HD12      LEU  25  10.987   7.026 -13.687
  209   HD13  LEU  25          HD13      LEU  25  11.702   8.593 -14.145
  210   HD21  LEU  25          HD21      LEU  25   9.207   7.660 -15.583
  211   HD22  LEU  25          HD22      LEU  25   8.252   9.142 -15.345
  212   HD23  LEU  25          HD23      LEU  25   9.967   9.259 -15.750
  213    H    GLY  26           H        GLY  26   7.146   7.795 -10.333
  214    HA2  GLY  26           HA2      GLY  26   5.563   5.302 -10.647
  215    HA3  GLY  26           HA3      GLY  26   6.823   5.612  -9.455
  216    H    ALA  27           H        ALA  27   5.181   8.447  -9.243
  217    HA   ALA  27           HA       ALA  27   3.624   7.803  -6.980
  218    HB1  ALA  27           HB1      ALA  27   3.361  10.069  -9.016
  219    HB2  ALA  27           HB2      ALA  27   2.406   9.968  -7.518
  220    HB3  ALA  27           HB3      ALA  27   4.165  10.108  -7.427
  221    H    GLY  28           H        GLY  28   2.054   6.370  -6.868
  222    HA2  GLY  28           HA2      GLY  28  -0.347   5.945  -7.795
  223    HA3  GLY  28           HA3      GLY  28   0.528   5.603  -9.299
  224    H    LYS  29           H        LYS  29   2.889   4.436  -7.911
  225    HA   LYS  29           HA       LYS  29   1.741   2.030  -6.572
  226    HB2  LYS  29           HB2      LYS  29   3.293   0.586  -7.649
  227    HB3  LYS  29           HB3      LYS  29   2.342   1.415  -8.880
  228    HG2  LYS  29           HG2      LYS  29   5.052   2.541  -8.129
  229    HG3  LYS  29           HG3      LYS  29   5.015   1.062  -9.054
  230    HD2  LYS  29           HD2      LYS  29   3.581   3.609  -9.877
  231    HD3  LYS  29           HD3      LYS  29   5.245   3.206 -10.327
  232    HE2  LYS  29           HE2      LYS  29   4.513   1.092 -11.363
  233    HE3  LYS  29           HE3      LYS  29   2.828   1.466 -10.986
  234    HZ1  LYS  29           HZ1      LYS  29   3.360   2.044 -13.261
  235    HZ2  LYS  29           HZ2      LYS  29   3.006   3.410 -12.449
  236    HZ3  LYS  29           HZ3      LYS  29   4.563   3.040 -12.809
  237    H    ILE  30           H        ILE  30   4.223   4.492  -6.743
  238    HA   ILE  30           HA       ILE  30   5.202   3.467  -4.122
  239    HB   ILE  30           HB       ILE  30   7.396   4.445  -4.627
  240   HG12  ILE  30          HG12      ILE  30   6.678   4.526  -7.559
  241   HG13  ILE  30          HG13      ILE  30   6.539   5.965  -6.540
  242   HG21  ILE  30          HG21      ILE  30   6.989   2.044  -4.891
  243   HG22  ILE  30          HG22      ILE  30   6.595   2.262  -6.601
  244   HG23  ILE  30          HG23      ILE  30   8.223   2.633  -5.999
  245   HD11  ILE  30          HD11      ILE  30   9.120   4.426  -7.077
  246   HD12  ILE  30          HD12      ILE  30   8.655   6.009  -7.702
  247   HD13  ILE  30          HD13      ILE  30   8.928   5.822  -5.957
  248    H    ALA  31           H        ALA  31   5.955   4.913  -2.642
  249    HA   ALA  31           HA       ALA  31   5.286   7.792  -3.021
  250    HB1  ALA  31           HB1      ALA  31   4.999   7.769  -0.505
  251    HB2  ALA  31           HB2      ALA  31   3.749   6.855  -1.372
  252    HB3  ALA  31           HB3      ALA  31   5.074   5.993  -0.557
  253    H    VAL  32           H        VAL  32   7.105   9.042  -2.753
  254    HA   VAL  32           HA       VAL  32   9.603   7.627  -2.100
  255    HB   VAL  32           HB       VAL  32   9.306   8.140  -4.387
  256   HG11  VAL  32          HG11      VAL  32   7.671   9.861  -4.494
  257   HG12  VAL  32          HG12      VAL  32   8.736  11.017  -3.643
  258   HG13  VAL  32          HG13      VAL  32   9.134  10.448  -5.274
  259   HG21  VAL  32          HG21      VAL  32  11.230  10.208  -3.232
  260   HG22  VAL  32          HG22      VAL  32  11.577   8.472  -3.434
  261   HG23  VAL  32          HG23      VAL  32  11.250   9.527  -4.829
  262    H    THR  33           H        THR  33  11.290   8.677  -1.097
  263    HA   THR  33           HA       THR  33  11.038  11.445  -0.283
  264    HB   THR  33           HB       THR  33  11.701   9.253   1.735
  265    HG1  THR  33           HG1      THR  33   9.322  10.268   0.968
  266   HG21  THR  33          HG21      THR  33  11.377  12.270   2.034
  267   HG22  THR  33          HG22      THR  33  11.391  11.127   3.392
  268   HG23  THR  33          HG23      THR  33  12.822  11.287   2.378
  269    H    SER  34           H        SER  34  13.213  12.377  -0.142
  270    HA   SER  34           HA       SER  34  15.475  10.508  -0.516
  271    HB2  SER  34           HB2      SER  34  16.644  12.215  -1.622
  272    HB3  SER  34           HB3      SER  34  15.080  12.087  -2.411
  273    HG   SER  34           HG       SER  34  14.530  14.020  -1.676
  274    H    CYS  35           H        CYS  35  17.429  10.970   0.734
  275    HA   CYS  35           HA       CYS  35  17.344  13.113   2.673
  276    HB2  CYS  35           HB2      CYS  35  17.565  11.734   4.653
  277    HB3  CYS  35           HB3      CYS  35  16.071  11.282   3.821
  278    HG   CYS  35           HG       CYS  35  16.973   9.214   2.609
  279    H    GLY  36           H        GLY  36  19.599  12.400   4.145
  280    HA2  GLY  36           HA2      GLY  36  21.471  11.004   2.451
  281    HA3  GLY  36           HA3      GLY  36  21.872  12.724   2.645
  282    H    LEU  37           H        LEU  37  23.580  10.761   3.492
  283    HA   LEU  37           HA       LEU  37  23.255   9.897   6.183
  284    HB2  LEU  37           HB2      LEU  37  25.872  10.496   4.756
  285    HB3  LEU  37           HB3      LEU  37  25.665   9.523   6.210
  286    HG   LEU  37           HG       LEU  37  24.706   8.859   3.399
  287   HD11  LEU  37          HD11      LEU  37  26.225   6.944   3.624
  288   HD12  LEU  37          HD12      LEU  37  27.098   8.463   3.883
  289   HD13  LEU  37          HD13      LEU  37  26.656   7.449   5.272
  290   HD21  LEU  37          HD21      LEU  37  22.959   8.082   4.954
  291   HD22  LEU  37          HD22      LEU  37  23.855   6.732   4.286
  292   HD23  LEU  37          HD23      LEU  37  24.187   7.267   5.951
  293    H    GLU  38           H        GLU  38  24.337  12.941   4.838
  294    HA   GLU  38           HA       GLU  38  23.860  14.272   7.389
  295    HB2  GLU  38           HB2      GLU  38  26.414  14.650   5.729
  296    HB3  GLU  38           HB3      GLU  38  25.831  15.787   6.950
  297    HG2  GLU  38           HG2      GLU  38  25.995  13.979   8.676
  298    HG3  GLU  38           HG3      GLU  38  26.695  12.909   7.454
  299    H    SER  39           H        SER  39  22.581  16.094   6.842
  300    HA   SER  39           HA       SER  39  21.736  16.330   4.082
  301    HB2  SER  39           HB2      SER  39  20.395  18.278   5.221
  302    HB3  SER  39           HB3      SER  39  19.998  16.595   5.576
  303    HG   SER  39           HG       SER  39  20.199  18.024   7.445
  304    H    SER  40           H        SER  40  21.914  18.116   2.760
  305    HA   SER  40           HA       SER  40  23.339  20.537   3.533
  306    HB2  SER  40           HB2      SER  40  24.197  18.713   1.233
  307    HB3  SER  40           HB3      SER  40  24.667  20.415   1.365
  308    HG   SER  40           HG       SER  40  26.251  18.991   2.204
  309    H    ARG  41           H        ARG  41  22.725  22.255   1.943
  310    HA   ARG  41           HA       ARG  41  20.065  22.255   1.172
  311    HB2  ARG  41           HB2      ARG  41  20.474  24.289   0.060
  312    HB3  ARG  41           HB3      ARG  41  21.585  24.271   1.414
  313    HG2  ARG  41           HG2      ARG  41  22.304  23.702  -1.508
  314    HG3  ARG  41           HG3      ARG  41  22.547  25.222  -0.671
  315    HD2  ARG  41           HD2      ARG  41  24.210  24.293   0.787
  316    HD3  ARG  41           HD3      ARG  41  23.876  22.648   0.258
  317    HE   ARG  41           HE       ARG  41  25.434  24.680  -1.148
  318   HH11  ARG  41          HH11      ARG  41  23.760  21.534  -1.521
  319   HH12  ARG  41          HH12      ARG  41  25.079  20.841  -2.436
  320   HH21  ARG  41          HH21      ARG  41  26.981  23.774  -2.647
  321   HH22  ARG  41          HH22      ARG  41  26.717  22.182  -3.308
  322    H    VAL  42           H        VAL  42  18.976  22.009  -0.817
  323    HA   VAL  42           HA       VAL  42  20.075  20.075  -2.683
  324    HB   VAL  42           HB       VAL  42  17.778  19.918  -2.300
  325   HG11  VAL  42          HG11      VAL  42  17.125  22.089  -1.489
  326   HG12  VAL  42          HG12      VAL  42  17.389  22.815  -3.098
  327   HG13  VAL  42          HG13      VAL  42  16.094  21.622  -2.838
  328   HG21  VAL  42          HG21      VAL  42  16.841  20.024  -4.548
  329   HG22  VAL  42          HG22      VAL  42  18.061  21.210  -5.051
  330   HG23  VAL  42          HG23      VAL  42  18.547  19.553  -4.665
  331    H    HIS  43           H        HIS  43  20.863  20.481  -4.703
  332    HA   HIS  43           HA       HIS  43  22.245  23.066  -4.878
  333    HB2  HIS  43           HB2      HIS  43  23.223  20.674  -5.164
  334    HB3  HIS  43           HB3      HIS  43  22.440  20.703  -6.749
  335    HD1  HIS  43           HD1      HIS  43  24.160  21.376  -8.540
  336    HD2  HIS  43           HD2      HIS  43  24.839  23.154  -4.800
  337    HE1  HIS  43           HE1      HIS  43  26.236  22.841  -8.806
  338    HA   PRO  44           HA       PRO  44  19.297  24.601  -7.681
  339    HB2  PRO  44           HB2      PRO  44  20.492  26.716  -8.904
  340    HB3  PRO  44           HB3      PRO  44  20.242  26.654  -7.133
  341    HG2  PRO  44           HG2      PRO  44  22.768  26.062  -8.685
  342    HG3  PRO  44           HG3      PRO  44  22.582  26.986  -7.165
  343    HD2  PRO  44           HD2      PRO  44  23.302  24.298  -7.369
  344    HD3  PRO  44           HD3      PRO  44  22.584  25.036  -5.894
  345    H    THR  45           H        THR  45  22.387  23.952  -9.539
  346    HA   THR  45           HA       THR  45  21.101  24.072 -12.029
  347    HB   THR  45           HB       THR  45  23.456  22.349 -11.111
  348    HG1  THR  45           HG1      THR  45  24.718  24.151 -11.559
  349   HG21  THR  45          HG21      THR  45  22.917  21.710 -13.374
  350   HG22  THR  45          HG22      THR  45  22.826  23.402 -13.900
  351   HG23  THR  45          HG23      THR  45  24.388  22.674 -13.396
  352    H    ALA  46           H        ALA  46  21.064  21.518  -9.640
  353    HA   ALA  46           HA       ALA  46  20.204  19.264 -11.055
  354    HB1  ALA  46           HB1      ALA  46  19.168  18.654  -8.962
  355    HB2  ALA  46           HB2      ALA  46  20.580  19.646  -8.507
  356    HB3  ALA  46           HB3      ALA  46  18.908  20.344  -8.508
  357    H    ILE  47           H        ILE  47  18.347  22.195 -10.070
  358    HA   ILE  47           HA       ILE  47  15.807  21.283 -10.626
  359    HB   ILE  47           HB       ILE  47  17.047  24.059 -10.905
  360   HG12  ILE  47          HG12      ILE  47  15.494  23.052  -8.483
  361   HG13  ILE  47          HG13      ILE  47  17.236  22.859  -8.578
  362   HG21  ILE  47          HG21      ILE  47  14.815  24.957 -10.598
  363   HG22  ILE  47          HG22      ILE  47  14.908  23.962 -12.032
  364   HG23  ILE  47          HG23      ILE  47  14.153  23.299 -10.570
  365   HD11  ILE  47          HD11      ILE  47  15.794  25.531  -8.647
  366   HD12  ILE  47          HD12      ILE  47  16.762  24.858  -7.333
  367   HD13  ILE  47          HD13      ILE  47  17.532  25.299  -8.887
  368    H    ALA  48           H        ALA  48  18.368  22.730 -12.690
  369    HA   ALA  48           HA       ALA  48  16.705  23.404 -14.863
  370    HB1  ALA  48           HB1      ALA  48  18.886  24.511 -14.351
  371    HB2  ALA  48           HB2      ALA  48  19.727  23.016 -14.796
  372    HB3  ALA  48           HB3      ALA  48  18.797  23.899 -16.020
  373    H    MET  49           H        MET  49  18.667  20.597 -13.978
  374    HA   MET  49           HA       MET  49  18.476  19.272 -16.485
  375    HB2  MET  49           HB2      MET  49  18.738  17.856 -13.851
  376    HB3  MET  49           HB3      MET  49  19.511  17.499 -15.416
  377    HG2  MET  49           HG2      MET  49  20.246  19.405 -13.264
  378    HG3  MET  49           HG3      MET  49  21.214  18.214 -14.086
  379    HE1  MET  49           HE1      MET  49  22.002  20.191 -17.490
  380    HE2  MET  49           HE2      MET  49  21.986  18.601 -16.692
  381    HE3  MET  49           HE3      MET  49  20.462  19.329 -17.267
  382    H    MET  50           H        MET  50  16.469  19.211 -13.573
  383    HA   MET  50           HA       MET  50  14.615  17.152 -14.417
  384    HB2  MET  50           HB2      MET  50  14.035  19.538 -12.612
  385    HB3  MET  50           HB3      MET  50  13.119  18.045 -12.745
  386    HG2  MET  50           HG2      MET  50  15.829  18.466 -11.524
  387    HG3  MET  50           HG3      MET  50  14.288  18.006 -10.790
  388    HE1  MET  50           HE1      MET  50  13.109  15.642 -12.337
  389    HE2  MET  50           HE2      MET  50  13.807  14.365 -11.323
  390    HE3  MET  50           HE3      MET  50  13.262  15.880 -10.577
  391    H    GLU  51           H        GLU  51  14.769  20.727 -14.654
  392    HA   GLU  51           HA       GLU  51  12.299  21.105 -15.961
  393    HB2  GLU  51           HB2      GLU  51  14.902  22.619 -15.851
  394    HB3  GLU  51           HB3      GLU  51  13.613  23.173 -16.921
  395    HG2  GLU  51           HG2      GLU  51  12.044  23.199 -14.955
  396    HG3  GLU  51           HG3      GLU  51  13.408  22.856 -13.896
  397    H    GLU  52           H        GLU  52  15.370  19.882 -17.258
  398    HA   GLU  52           HA       GLU  52  14.632  20.216 -20.003
  399    HB2  GLU  52           HB2      GLU  52  16.316  17.958 -18.878
  400    HB3  GLU  52           HB3      GLU  52  16.203  18.468 -20.551
  401    HG2  GLU  52           HG2      GLU  52  17.011  20.825 -19.603
  402    HG3  GLU  52           HG3      GLU  52  17.598  19.825 -18.265
  403    H    VAL  53           H        VAL  53  14.064  17.706 -17.548
  404    HA   VAL  53           HA       VAL  53  12.662  15.992 -19.510
  405    HB   VAL  53           HB       VAL  53  12.862  15.773 -16.492
  406   HG11  VAL  53          HG11      VAL  53  10.947  14.448 -17.328
  407   HG12  VAL  53          HG12      VAL  53  11.978  13.713 -18.572
  408   HG13  VAL  53          HG13      VAL  53  12.260  13.379 -16.848
  409   HG21  VAL  53          HG21      VAL  53  15.071  15.614 -17.599
  410   HG22  VAL  53          HG22      VAL  53  14.581  14.015 -17.035
  411   HG23  VAL  53          HG23      VAL  53  14.435  14.430 -18.750
  412    H    GLY  54           H        GLY  54  11.789  18.557 -17.291
  413    HA2  GLY  54           HA2      GLY  54   9.788  19.854 -17.776
  414    HA3  GLY  54           HA3      GLY  54   8.912  18.355 -18.116
  415    H    ILE  55           H        ILE  55  11.190  18.587 -15.429
  416    HA   ILE  55           HA       ILE  55   8.951  18.493 -13.437
  417    HB   ILE  55           HB       ILE  55  11.450  16.787 -13.654
  418   HG12  ILE  55          HG12      ILE  55   8.619  15.705 -13.485
  419   HG13  ILE  55          HG13      ILE  55   9.220  16.262 -15.034
  420   HG21  ILE  55          HG21      ILE  55   9.400  16.830 -11.395
  421   HG22  ILE  55          HG22      ILE  55  10.540  15.510 -11.663
  422   HG23  ILE  55          HG23      ILE  55  11.163  17.093 -11.267
  423   HD11  ILE  55          HD11      ILE  55  10.504  14.091 -13.376
  424   HD12  ILE  55          HD12      ILE  55   9.657  13.932 -14.928
  425   HD13  ILE  55          HD13      ILE  55  11.191  14.825 -14.852
  426    H    ASP  56           H        ASP  56  10.180  18.859 -11.103
  427    HA   ASP  56           HA       ASP  56  12.114  21.097 -11.286
  428    HB2  ASP  56           HB2      ASP  56   9.951  22.214 -11.392
  429    HB3  ASP  56           HB3      ASP  56   9.318  21.202 -10.081
  430    H    ILE  57           H        ILE  57  13.109  21.494  -9.225
  431    HA   ILE  57           HA       ILE  57  12.384  19.725  -6.989
  432    HB   ILE  57           HB       ILE  57  15.232  20.399  -7.123
  433   HG12  ILE  57          HG12      ILE  57  14.347  18.002  -8.764
  434   HG13  ILE  57          HG13      ILE  57  14.883  19.559  -9.459
  435   HG21  ILE  57          HG21      ILE  57  15.373  18.104  -6.093
  436   HG22  ILE  57          HG22      ILE  57  14.277  19.176  -5.262
  437   HG23  ILE  57          HG23      ILE  57  13.634  17.917  -6.363
  438   HD11  ILE  57          HD11      ILE  57  16.971  19.238  -7.926
  439   HD12  ILE  57          HD12      ILE  57  16.489  17.531  -7.961
  440   HD13  ILE  57          HD13      ILE  57  16.826  18.398  -9.487
  441    H    SER  58           H        SER  58  13.326  22.920  -8.090
  442    HA   SER  58           HA       SER  58  14.037  24.353  -5.935
  443    HB2  SER  58           HB2      SER  58  11.604  25.271  -7.470
  444    HB3  SER  58           HB3      SER  58  12.998  26.209  -6.909
  445    HG   SER  58           HG       SER  58  12.676  24.448  -9.082
  446    H    GLY  59           H        GLY  59  10.746  23.010  -6.444
  447    HA2  GLY  59           HA2      GLY  59   9.440  24.390  -4.341
  448    HA3  GLY  59           HA3      GLY  59   8.873  22.942  -5.183
  449    H    GLN  60           H        GLN  60  11.683  21.744  -4.050
  450    HA   GLN  60           HA       GLN  60  10.630  21.115  -1.378
  451    HB2  GLN  60           HB2      GLN  60  11.304  18.845  -1.656
  452    HB3  GLN  60           HB3      GLN  60  10.187  19.331  -2.946
  453    HG2  GLN  60           HG2      GLN  60  11.960  19.324  -4.586
  454    HG3  GLN  60           HG3      GLN  60  13.186  19.140  -3.326
  455   HE21  GLN  60          HE22      GLN  60  14.054  17.170  -3.969
  456   HE22  GLN  60          HE21      GLN  60  13.170  15.672  -3.720
  457    H    THR  61           H        THR  61  12.255  20.134   0.069
  458    HA   THR  61           HA       THR  61  14.906  21.452  -0.094
  459    HB   THR  61           HB       THR  61  14.539  21.651   2.428
  460    HG1  THR  61           HG1      THR  61  12.473  21.388   3.185
  461   HG21  THR  61          HG21      THR  61  14.228  23.537   0.854
  462   HG22  THR  61          HG22      THR  61  12.516  23.078   0.656
  463   HG23  THR  61          HG23      THR  61  13.124  23.632   2.238
  464    H    SER  62           H        SER  62  16.192  20.407   1.968
  465    HA   SER  62           HA       SER  62  16.351  17.501   1.391
  466    HB2  SER  62           HB2      SER  62  18.775  17.933   1.975
  467    HB3  SER  62           HB3      SER  62  18.176  18.733   0.504
  468    HG   SER  62           HG       SER  62  19.479  19.999   1.888
  469    H    ASP  63           H        ASP  63  17.148  16.126   3.149
  470    HA   ASP  63           HA       ASP  63  16.765  17.098   5.920
  471    HB2  ASP  63           HB2      ASP  63  14.906  15.180   4.487
  472    HB3  ASP  63           HB3      ASP  63  15.257  14.927   6.187
  473    HA   PRO  64           HA       PRO  64  19.840  13.885   6.375
  474    HB2  PRO  64           HB2      PRO  64  19.994  13.613   9.074
  475    HB3  PRO  64           HB3      PRO  64  20.485  15.122   8.253
  476    HG2  PRO  64           HG2      PRO  64  17.847  14.515   9.622
  477    HG3  PRO  64           HG3      PRO  64  18.874  15.971   9.798
  478    HD2  PRO  64           HD2      PRO  64  16.702  15.842   8.101
  479    HD3  PRO  64           HD3      PRO  64  18.139  16.851   7.758
  480    H    ILE  65           H        ILE  65  19.988  11.664   6.655
  481    HA   ILE  65           HA       ILE  65  17.791   9.928   6.626
  482    HB   ILE  65           HB       ILE  65  20.051   9.424   5.904
  483   HG12  ILE  65          HG12      ILE  65  18.849   7.450   7.893
  484   HG13  ILE  65          HG13      ILE  65  18.287   7.748   6.240
  485   HG21  ILE  65          HG21      ILE  65  21.794   8.663   7.423
  486   HG22  ILE  65          HG22      ILE  65  21.363  10.318   7.844
  487   HG23  ILE  65          HG23      ILE  65  20.774   8.958   8.832
  488   HD11  ILE  65          HD11      ILE  65  19.635   5.865   6.005
  489   HD12  ILE  65          HD12      ILE  65  20.690   7.204   5.524
  490   HD13  ILE  65          HD13      ILE  65  20.872   6.474   7.133
  491    H    GLU  66           H        GLU  66  19.626  11.222   9.358
  492    HA   GLU  66           HA       GLU  66  18.912   9.566  11.395
  493    HB2  GLU  66           HB2      GLU  66  19.289  12.582  11.629
  494    HB3  GLU  66           HB3      GLU  66  19.573  11.370  12.883
  495    HG2  GLU  66           HG2      GLU  66  21.368  10.374  11.356
  496    HG3  GLU  66           HG3      GLU  66  21.180  11.796  10.320
  497    H    ASN  67           H        ASN  67  16.801  11.969   9.930
  498    HA   ASN  67           HA       ASN  67  15.022  11.984  12.287
  499    HB2  ASN  67           HB2      ASN  67  14.190  13.924  11.617
  500    HB3  ASN  67           HB3      ASN  67  15.683  14.052  10.706
  501   HD21  ASN  67          HD22      ASN  67  15.500  13.117   8.307
  502   HD22  ASN  67          HD21      ASN  67  13.954  13.309   7.536
  503    H    PHE  68           H        PHE  68  15.332   9.946   9.544
  504    HA   PHE  68           HA       PHE  68  12.432   9.362   9.450
  505    HB2  PHE  68           HB2      PHE  68  14.738   8.531   7.643
  506    HB3  PHE  68           HB3      PHE  68  13.048   8.064   7.466
  507    HD1  PHE  68           HD2      PHE  68  11.302   9.816   7.011
  508    HD2  PHE  68           HD1      PHE  68  15.526  10.592   6.687
  509    HE1  PHE  68           HE2      PHE  68  10.824  11.913   5.754
  510    HE2  PHE  68           HE1      PHE  68  15.051  12.623   5.332
  511    HZ   PHE  68           HZ       PHE  68  12.700  13.306   4.894
  512    H    ASN  69           H        ASN  69  12.410   6.836   8.834
  513    HA   ASN  69           HA       ASN  69  14.106   5.176  10.556
  514    HB2  ASN  69           HB2      ASN  69  11.919   3.907  11.190
  515    HB3  ASN  69           HB3      ASN  69  12.409   5.316  12.121
  516   HD21  ASN  69          HD22      ASN  69  10.690   5.363   8.917
  517   HD22  ASN  69          HD21      ASN  69   9.258   6.143   9.563
  518    H    ALA  70           H        ALA  70  14.719   3.507   9.363
  519    HA   ALA  70           HA       ALA  70  14.087   3.201   6.657
  520    HB1  ALA  70           HB1      ALA  70  16.140   2.288   7.879
  521    HB2  ALA  70           HB2      ALA  70  15.108   0.976   8.478
  522    HB3  ALA  70           HB3      ALA  70  15.386   1.157   6.738
  523    H    ASP  71           H        ASP  71  12.452   1.838   9.453
  524    HA   ASP  71           HA       ASP  71  11.253  -0.419   8.318
  525    HB2  ASP  71           HB2      ASP  71  11.332   0.055  10.725
  526    HB3  ASP  71           HB3      ASP  71  10.255   1.438  10.509
  527    H    ASP  72           H        ASP  72  10.486   2.949   7.749
  528    HA   ASP  72           HA       ASP  72   7.739   2.388   6.942
  529    HB2  ASP  72           HB2      ASP  72   8.339   4.458   8.160
  530    HB3  ASP  72           HB3      ASP  72   9.343   4.960   6.790
  531    H    TYR  73           H        TYR  73  10.893   2.263   5.497
  532    HA   TYR  73           HA       TYR  73   9.861   2.838   2.841
  533    HB2  TYR  73           HB2      TYR  73  12.669   2.999   3.954
  534    HB3  TYR  73           HB3      TYR  73  12.225   3.293   2.272
  535    HD1  TYR  73           HD2      TYR  73  10.665   5.200   1.693
  536    HD2  TYR  73           HD1      TYR  73  12.325   4.710   5.637
  537    HE1  TYR  73           HE2      TYR  73   9.973   7.494   2.256
  538    HE2  TYR  73           HE1      TYR  73  11.716   7.058   6.209
  539    HH   TYR  73           HH       TYR  73   9.979   9.156   3.821
  540    H    ASP  74           H        ASP  74   9.579   1.068   1.502
  541    HA   ASP  74           HA       ASP  74  10.348  -1.518   2.659
  542    HB2  ASP  74           HB2      ASP  74   8.049  -1.019   1.624
  543    HB3  ASP  74           HB3      ASP  74   8.857  -1.121   0.066
  544    H    VAL  75           H        VAL  75  11.317   0.824   0.346
  545    HA   VAL  75           HA       VAL  75  13.425  -0.929  -0.826
  546    HB   VAL  75           HB       VAL  75  11.644   1.169  -2.129
  547   HG11  VAL  75          HG11      VAL  75  13.913  -0.456  -3.286
  548   HG12  VAL  75          HG12      VAL  75  12.641   0.258  -4.286
  549   HG13  VAL  75          HG13      VAL  75  13.687   1.290  -3.296
  550   HG21  VAL  75          HG21      VAL  75  10.687  -0.710  -3.453
  551   HG22  VAL  75          HG22      VAL  75  11.545  -1.848  -2.385
  552   HG23  VAL  75          HG23      VAL  75  10.299  -0.756  -1.734
  553    H    VAL  76           H        VAL  76  15.439  -0.045  -0.698
  554    HA   VAL  76           HA       VAL  76  15.647   2.901  -0.242
  555    HB   VAL  76           HB       VAL  76  15.783   2.227   1.886
  556   HG11  VAL  76          HG11      VAL  76  15.615  -0.159   1.671
  557   HG12  VAL  76          HG12      VAL  76  17.331  -0.274   1.216
  558   HG13  VAL  76          HG13      VAL  76  16.841   0.283   2.839
  559   HG21  VAL  76          HG21      VAL  76  18.694   2.037   1.076
  560   HG22  VAL  76          HG22      VAL  76  17.766   3.539   1.306
  561   HG23  VAL  76          HG23      VAL  76  18.049   2.447   2.667
  562    H    ILE  77           H        ILE  77  16.807   3.858  -1.624
  563    HA   ILE  77           HA       ILE  77  18.895   2.410  -3.151
  564    HB   ILE  77           HB       ILE  77  17.073   4.737  -3.883
  565   HG12  ILE  77          HG12      ILE  77  15.810   2.720  -4.071
  566   HG13  ILE  77          HG13      ILE  77  16.288   3.224  -5.688
  567   HG21  ILE  77          HG21      ILE  77  19.326   3.449  -5.466
  568   HG22  ILE  77          HG22      ILE  77  18.148   4.636  -6.096
  569   HG23  ILE  77          HG23      ILE  77  19.285   5.105  -4.853
  570   HD11  ILE  77          HD11      ILE  77  16.439   0.788  -5.413
  571   HD12  ILE  77          HD12      ILE  77  18.028   1.497  -5.762
  572   HD13  ILE  77          HD13      ILE  77  17.626   0.983  -4.113
  573    H    SER  78           H        SER  78  20.656   2.790  -1.970
  574    HA   SER  78           HA       SER  78  21.171   5.523  -1.003
  575    HB2  SER  78           HB2      SER  78  22.815   2.982  -0.896
  576    HB3  SER  78           HB3      SER  78  23.383   4.597  -0.377
  577    HG   SER  78           HG       SER  78  20.976   3.426   0.542
  578    H    LEU  79           H        LEU  79  22.945   6.663  -1.926
  579    HA   LEU  79           HA       LEU  79  24.098   5.918  -4.452
  580    HB2  LEU  79           HB2      LEU  79  23.150   8.426  -5.218
  581    HB3  LEU  79           HB3      LEU  79  22.717   6.878  -5.840
  582    HG   LEU  79           HG       LEU  79  20.786   6.843  -4.073
  583   HD11  LEU  79          HD11      LEU  79  21.386   9.807  -4.132
  584   HD12  LEU  79          HD12      LEU  79  20.088   8.977  -3.247
  585   HD13  LEU  79          HD13      LEU  79  21.775   8.729  -2.796
  586   HD21  LEU  79          HD21      LEU  79  19.359   8.282  -5.531
  587   HD22  LEU  79          HD22      LEU  79  20.805   8.783  -6.422
  588   HD23  LEU  79          HD23      LEU  79  20.306   7.082  -6.416
  589    H    CYS  80           H        CYS  80  25.303   5.931  -2.257
  590    HA   CYS  80           HA       CYS  80  26.525   8.502  -1.520
  591    HB2  CYS  80           HB2      CYS  80  27.127   5.590  -0.828
  592    HB3  CYS  80           HB3      CYS  80  27.979   6.985  -0.133
  593    HG   CYS  80           HG       CYS  80  24.749   6.247  -0.051
  594    H    GLY  81           H        GLY  81  27.330   5.515  -3.346
  595    HA2  GLY  81           HA2      GLY  81  28.121   6.171  -5.648
  596    HA3  GLY  81           HA3      GLY  81  29.417   7.059  -4.852
  597    H    CYS  82           H        CYS  82  30.446   5.490  -2.979
  598    HA   CYS  82           HA       CYS  82  31.885   3.662  -4.640
  599    HB2  CYS  82           HB2      CYS  82  32.254   4.215  -1.663
  600    HB3  CYS  82           HB3      CYS  82  33.446   3.524  -2.767
  601    HG   CYS  82           HG       CYS  82  34.132   5.975  -2.185
  602    H    GLY  83           H        GLY  83  29.199   2.739  -4.172
  603    HA2  GLY  83           HA2      GLY  83  28.024   0.870  -3.674
  604    HA3  GLY  83           HA3      GLY  83  29.551  -0.036  -3.589
  605    H    VAL  84           H        VAL  84  28.608   2.785  -1.617
  606    HA   VAL  84           HA       VAL  84  29.632   1.609   0.761
  607    HB   VAL  84           HB       VAL  84  27.924   4.066   0.534
  608   HG11  VAL  84          HG11      VAL  84  29.135   4.820   2.555
  609   HG12  VAL  84          HG12      VAL  84  28.223   3.347   2.858
  610   HG13  VAL  84          HG13      VAL  84  29.986   3.261   2.619
  611   HG21  VAL  84          HG21      VAL  84  30.937   3.798   0.235
  612   HG22  VAL  84          HG22      VAL  84  29.789   4.357  -1.008
  613   HG23  VAL  84          HG23      VAL  84  30.078   5.339   0.420
  614    H    ASN  85           H        ASN  85  28.637   0.822   2.508
  615    HA   ASN  85           HA       ASN  85  25.816  -0.059   2.136
  616    HB2  ASN  85           HB2      ASN  85  27.651  -1.803   1.681
  617    HB3  ASN  85           HB3      ASN  85  28.045  -1.717   3.401
  618   HD21  ASN  85          HD22      ASN  85  25.366  -2.230   1.095
  619   HD22  ASN  85          HD21      ASN  85  24.434  -3.308   2.107
  620    H    LEU  86           H        LEU  86  24.676   1.016   3.502
  621    HA   LEU  86           HA       LEU  86  25.594   2.528   5.721
  622    HB2  LEU  86           HB2      LEU  86  22.756   1.655   5.245
  623    HB3  LEU  86           HB3      LEU  86  23.364   3.065   6.084
  624    HG   LEU  86           HG       LEU  86  23.285   2.579   3.088
  625   HD11  LEU  86          HD11      LEU  86  21.307   3.535   4.171
  626   HD12  LEU  86          HD12      LEU  86  22.293   4.826   4.898
  627   HD13  LEU  86          HD13      LEU  86  22.099   4.721   3.135
  628   HD21  LEU  86          HD21      LEU  86  24.467   4.772   2.817
  629   HD22  LEU  86          HD22      LEU  86  24.958   4.674   4.527
  630   HD23  LEU  86          HD23      LEU  86  25.506   3.458   3.347
  631    HA   PRO  87           HA       PRO  87  26.018  -0.767   8.771
  632    HB2  PRO  87           HB2      PRO  87  25.929   1.675  10.544
  633    HB3  PRO  87           HB3      PRO  87  26.972   0.227  10.665
  634    HG2  PRO  87           HG2      PRO  87  27.943   2.524   9.599
  635    HG3  PRO  87           HG3      PRO  87  28.319   0.946   8.832
  636    HD2  PRO  87           HD2      PRO  87  26.245   2.987   8.012
  637    HD3  PRO  87           HD3      PRO  87  27.375   2.048   6.993
  638    HA   PRO  88           HA       PRO  88  21.990   0.430  11.001
  639    HB2  PRO  88           HB2      PRO  88  20.304   2.383  10.130
  640    HB3  PRO  88           HB3      PRO  88  21.720   2.717  11.157
  641    HG2  PRO  88           HG2      PRO  88  21.630   2.890   8.107
  642    HG3  PRO  88           HG3      PRO  88  22.132   4.165   9.270
  643    HD2  PRO  88           HD2      PRO  88  23.883   2.588   8.057
  644    HD3  PRO  88           HD3      PRO  88  24.080   2.976   9.793
  645    H    GLU  89           H        GLU  89  19.609   0.095  10.587
  646    HA   GLU  89           HA       GLU  89  19.145  -2.153   9.061
  647    HB2  GLU  89           HB2      GLU  89  16.743  -1.658   9.563
  648    HB3  GLU  89           HB3      GLU  89  17.825  -1.744  10.949
  649    HG2  GLU  89           HG2      GLU  89  17.278   0.981   9.790
  650    HG3  GLU  89           HG3      GLU  89  15.946   0.164  10.598
  651    H    TRP  90           H        TRP  90  19.353   0.841   7.775
  652    HA   TRP  90           HA       TRP  90  17.531   0.775   5.572
  653    HB2  TRP  90           HB2      TRP  90  20.211   2.158   5.910
  654    HB3  TRP  90           HB3      TRP  90  19.091   2.466   4.600
  655    HD1  TRP  90           HD1      TRP  90  19.622   3.176   8.259
  656    HE1  TRP  90           HE1      TRP  90  18.225   5.090   9.022
  657    HE3  TRP  90           HE3      TRP  90  16.551   3.440   4.200
  658    HZ2  TRP  90           HZ2      TRP  90  15.829   6.514   8.053
  659    HZ3  TRP  90           HZ3      TRP  90  14.651   5.027   4.187
  660    HH2  TRP  90           HH2      TRP  90  14.298   6.581   6.080
  661    H    VAL  91           H        VAL  91  20.077  -1.431   6.252
  662    HA   VAL  91           HA       VAL  91  20.162  -2.123   3.391
  663    HB   VAL  91           HB       VAL  91  22.194  -3.331   3.872
  664   HG11  VAL  91          HG11      VAL  91  22.311  -1.054   3.024
  665   HG12  VAL  91          HG12      VAL  91  22.320  -0.424   4.684
  666   HG13  VAL  91          HG13      VAL  91  23.677  -1.398   4.098
  667   HG21  VAL  91          HG21      VAL  91  22.131  -2.174   6.672
  668   HG22  VAL  91          HG22      VAL  91  21.962  -3.886   6.234
  669   HG23  VAL  91          HG23      VAL  91  23.478  -3.036   5.927
  670    H    THR  92           H        THR  92  18.327  -2.896   6.004
  671    HA   THR  92           HA       THR  92  18.187  -5.738   5.212
  672    HB   THR  92           HB       THR  92  17.466  -6.146   7.602
  673    HG1  THR  92           HG1      THR  92  16.938  -4.067   8.243
  674   HG21  THR  92          HG21      THR  92  19.693  -6.122   8.534
  675   HG22  THR  92          HG22      THR  92  19.823  -6.534   6.815
  676   HG23  THR  92          HG23      THR  92  20.232  -4.894   7.374
  677    H    GLN  93           H        GLN  93  16.794  -3.429   4.094
  678    HA   GLN  93           HA       GLN  93  13.957  -4.108   4.621
  679    HB2  GLN  93           HB2      GLN  93  15.088  -1.980   2.782
  680    HB3  GLN  93           HB3      GLN  93  13.405  -2.186   3.268
  681    HG2  GLN  93           HG2      GLN  93  15.724  -1.237   4.978
  682    HG3  GLN  93           HG3      GLN  93  14.302  -0.329   4.509
  683   HE21  GLN  93          HE22      GLN  93  15.654  -1.692   7.139
  684   HE22  GLN  93          HE21      GLN  93  14.222  -2.195   8.022
  685    H    GLU  94           H        GLU  94  12.776  -3.979   2.219
  686    HA   GLU  94           HA       GLU  94  13.376  -6.561   1.277
  687    HB2  GLU  94           HB2      GLU  94  11.214  -4.816   1.253
  688    HB3  GLU  94           HB3      GLU  94  11.631  -4.915  -0.456
  689    HG2  GLU  94           HG2      GLU  94  11.067  -7.235   1.443
  690    HG3  GLU  94           HG3      GLU  94   9.926  -6.581   0.278
  691    H    ILE  95           H        ILE  95  14.147  -3.367  -0.105
  692    HA   ILE  95           HA       ILE  95  15.822  -4.731  -2.182
  693    HB   ILE  95           HB       ILE  95  13.854  -2.489  -2.511
  694   HG12  ILE  95          HG12      ILE  95  14.184  -5.276  -3.679
  695   HG13  ILE  95          HG13      ILE  95  12.831  -4.625  -2.746
  696   HG21  ILE  95          HG21      ILE  95  16.021  -1.853  -3.635
  697   HG22  ILE  95          HG22      ILE  95  16.017  -3.413  -4.489
  698   HG23  ILE  95          HG23      ILE  95  14.777  -2.183  -4.815
  699   HD11  ILE  95          HD11      ILE  95  12.372  -3.059  -4.676
  700   HD12  ILE  95          HD12      ILE  95  13.598  -3.982  -5.592
  701   HD13  ILE  95          HD13      ILE  95  12.136  -4.795  -5.011
  702    H    PHE  96           H        PHE  96  17.904  -3.834  -2.253
  703    HA   PHE  96           HA       PHE  96  18.375  -1.205  -1.171
  704    HB2  PHE  96           HB2      PHE  96  18.898  -2.523   0.794
  705    HB3  PHE  96           HB3      PHE  96  19.902  -3.619  -0.165
  706    HD1  PHE  96           HD1      PHE  96  22.138  -2.925  -0.969
  707    HD2  PHE  96           HD2      PHE  96  19.603  -0.137   1.139
  708    HE1  PHE  96           HE1      PHE  96  23.961  -1.229  -1.000
  709    HE2  PHE  96           HE2      PHE  96  21.490   1.456   1.262
  710    HZ   PHE  96           HZ       PHE  96  23.664   0.928   0.198
  711    H    GLU  97           H        GLU  97  19.819  -0.164  -2.436
  712    HA   GLU  97           HA       GLU  97  21.946  -1.591  -3.852
  713    HB2  GLU  97           HB2      GLU  97  19.861   0.153  -5.246
  714    HB3  GLU  97           HB3      GLU  97  21.503  -0.039  -5.865
  715    HG2  GLU  97           HG2      GLU  97  21.223  -2.472  -5.935
  716    HG3  GLU  97           HG3      GLU  97  19.505  -2.284  -5.509
  717    H    ASP  98           H        ASP  98  23.622  -0.082  -4.402
  718    HA   ASP  98           HA       ASP  98  23.375   2.652  -3.348
  719    HB2  ASP  98           HB2      ASP  98  24.833   1.498  -1.799
  720    HB3  ASP  98           HB3      ASP  98  25.927   1.074  -3.119
  721    H    TRP  99           H        TRP  99  22.916   3.608  -5.302
  722    HA   TRP  99           HA       TRP  99  24.130   2.790  -7.801
  723    HB2  TRP  99           HB2      TRP  99  22.577   5.318  -7.209
  724    HB3  TRP  99           HB3      TRP  99  22.991   4.642  -8.764
  725    HD1  TRP  99           HD1      TRP  99  21.918   1.607  -7.296
  726    HE1  TRP  99           HE1      TRP  99  19.475   1.097  -7.786
  727    HE3  TRP  99           HE3      TRP  99  20.439   6.305  -8.643
  728    HZ2  TRP  99           HZ2      TRP  99  17.044   2.648  -8.465
  729    HZ3  TRP  99           HZ3      TRP  99  18.051   6.789  -9.096
  730    HH2  TRP  99           HH2      TRP  99  16.373   4.984  -8.975
  731    H    GLN 100           H        GLN 100  25.661   3.660  -9.038
  732    HA   GLN 100           HA       GLN 100  27.677   5.265  -7.572
  733    HB2  GLN 100           HB2      GLN 100  28.219   2.934  -7.981
  734    HB3  GLN 100           HB3      GLN 100  27.988   3.132  -9.719
  735    HG2  GLN 100           HG2      GLN 100  29.905   4.559  -9.922
  736    HG3  GLN 100           HG3      GLN 100  29.984   4.844  -8.183
  737   HE21  GLN 100          HE22      GLN 100  30.416   2.916  -6.778
  738   HE22  GLN 100          HE21      GLN 100  31.518   1.677  -7.376
  739    H    LEU 101           H        LEU 101  27.047   7.279  -8.141
  740    HA   LEU 101           HA       LEU 101  26.968   8.061 -11.016
  741    HB2  LEU 101           HB2      LEU 101  25.105   8.560  -8.668
  742    HB3  LEU 101           HB3      LEU 101  25.296   9.812  -9.892
  743    HG   LEU 101           HG       LEU 101  23.374   8.730 -10.437
  744   HD11  LEU 101          HD11      LEU 101  24.882   8.963 -12.444
  745   HD12  LEU 101          HD12      LEU 101  25.309   7.248 -12.259
  746   HD13  LEU 101          HD13      LEU 101  23.633   7.715 -12.581
  747   HD21  LEU 101          HD21      LEU 101  22.926   6.397 -10.556
  748   HD22  LEU 101          HD22      LEU 101  24.624   5.990 -10.249
  749   HD23  LEU 101          HD23      LEU 101  23.648   6.783  -8.984
  750    H    GLU 102           H        GLU 102  27.694  10.138 -11.446
  751    HA   GLU 102           HA       GLU 102  29.800  11.017  -9.718
  752    HB2  GLU 102           HB2      GLU 102  28.981  11.763 -12.553
  753    HB3  GLU 102           HB3      GLU 102  30.382  12.474 -11.746
  754    HG2  GLU 102           HG2      GLU 102  30.007   9.489 -12.167
  755    HG3  GLU 102           HG3      GLU 102  30.904  10.547 -13.258
  756    H    ASP 103           H        ASP 103  28.017  11.465  -8.298
  757    HA   ASP 103           HA       ASP 103  26.461  13.123  -7.381
  758    HB2  ASP 103           HB2      ASP 103  28.394  12.135  -6.173
  759    HB3  ASP 103           HB3      ASP 103  29.355  13.549  -6.545
  760    HA   PRO 104           HA       PRO 104  27.161  16.458 -10.392
  761    HB2  PRO 104           HB2      PRO 104  24.311  17.018  -9.682
  762    HB3  PRO 104           HB3      PRO 104  25.163  17.093 -11.267
  763    HG2  PRO 104           HG2      PRO 104  23.726  14.893 -10.633
  764    HG3  PRO 104           HG3      PRO 104  25.334  14.758 -11.416
  765    HD2  PRO 104           HD2      PRO 104  24.635  14.368  -8.502
  766    HD3  PRO 104           HD3      PRO 104  25.746  13.435  -9.556
  767    H    ASP 105           H        ASP 105  26.560  17.000  -7.030
  768    HA   ASP 105           HA       ASP 105  26.125  19.795  -6.970
  769    HB2  ASP 105           HB2      ASP 105  25.705  18.216  -5.135
  770    HB3  ASP 105           HB3      ASP 105  27.439  17.990  -4.921
  771    H    GLY 106           H        GLY 106  27.495  20.721  -8.490
  772    HA2  GLY 106           HA2      GLY 106  29.135  22.509  -8.277
  773    HA3  GLY 106           HA3      GLY 106  30.231  21.375  -7.481
  774    H    GLN 107           H        GLN 107  28.559  19.847 -10.097
  775    HA   GLN 107           HA       GLN 107  31.140  19.630 -11.469
  776    HB2  GLN 107           HB2      GLN 107  28.522  18.250 -12.115
  777    HB3  GLN 107           HB3      GLN 107  30.148  17.756 -12.599
  778    HG2  GLN 107           HG2      GLN 107  29.133  17.774  -9.744
  779    HG3  GLN 107           HG3      GLN 107  29.129  16.394 -10.843
  780   HE21  GLN 107          HE22      GLN 107  30.220  15.655  -8.742
  781   HE22  GLN 107          HE21      GLN 107  31.978  15.611  -8.830
  782    H    SER 108           H        SER 108  30.747  19.162 -13.985
  783    HA   SER 108           HA       SER 108  29.967  21.668 -15.259
  784    HB2  SER 108           HB2      SER 108  30.982  18.975 -16.282
  785    HB3  SER 108           HB3      SER 108  30.863  20.460 -17.257
  786    HG   SER 108           HG       SER 108  32.985  20.118 -16.441
  787    H    LEU 109           H        LEU 109  28.388  21.722 -17.015
  788    HA   LEU 109           HA       LEU 109  25.944  20.485 -16.379
  789    HB2  LEU 109           HB2      LEU 109  26.921  21.795 -18.939
  790    HB3  LEU 109           HB3      LEU 109  25.272  21.205 -18.756
  791    HG   LEU 109           HG       LEU 109  26.520  23.233 -16.867
  792   HD11  LEU 109          HD11      LEU 109  25.228  24.942 -18.100
  793   HD12  LEU 109          HD12      LEU 109  26.412  24.154 -19.153
  794   HD13  LEU 109          HD13      LEU 109  24.696  23.709 -19.268
  795   HD21  LEU 109          HD21      LEU 109  24.584  22.062 -15.877
  796   HD22  LEU 109          HD22      LEU 109  24.149  23.723 -16.271
  797   HD23  LEU 109          HD23      LEU 109  23.614  22.397 -17.324
  798    H    GLU 110           H        GLU 110  28.473  19.382 -18.639
  799    HA   GLU 110           HA       GLU 110  26.985  17.305 -19.828
  800    HB2  GLU 110           HB2      GLU 110  29.952  17.525 -19.190
  801    HB3  GLU 110           HB3      GLU 110  29.266  16.205 -20.139
  802    HG2  GLU 110           HG2      GLU 110  29.000  19.152 -20.873
  803    HG3  GLU 110           HG3      GLU 110  30.242  18.077 -21.502
  804    H    VAL 111           H        VAL 111  28.680  17.393 -16.671
  805    HA   VAL 111           HA       VAL 111  28.316  14.574 -16.103
  806    HB   VAL 111           HB       VAL 111  28.797  16.908 -14.249
  807   HG11  VAL 111          HG11      VAL 111  29.697  15.099 -12.703
  808   HG12  VAL 111          HG12      VAL 111  27.945  15.098 -12.919
  809   HG13  VAL 111          HG13      VAL 111  28.952  13.910 -13.784
  810   HG21  VAL 111          HG21      VAL 111  30.662  16.645 -15.867
  811   HG22  VAL 111          HG22      VAL 111  31.173  16.142 -14.255
  812   HG23  VAL 111          HG23      VAL 111  30.764  14.918 -15.474
  813    H    PHE 112           H        PHE 112  26.585  17.622 -15.254
  814    HA   PHE 112           HA       PHE 112  24.539  16.498 -13.676
  815    HB2  PHE 112           HB2      PHE 112  24.715  18.940 -15.454
  816    HB3  PHE 112           HB3      PHE 112  23.172  18.429 -14.844
  817    HD1  PHE 112           HD1      PHE 112  22.639  18.352 -12.432
  818    HD2  PHE 112           HD2      PHE 112  26.322  20.012 -13.956
  819    HE1  PHE 112           HE1      PHE 112  23.034  19.482 -10.263
  820    HE2  PHE 112           HE2      PHE 112  26.722  21.105 -11.770
  821    HZ   PHE 112           HZ       PHE 112  25.131  20.764  -9.927
  822    H    ARG 113           H        ARG 113  24.477  17.101 -17.244
  823    HA   ARG 113           HA       ARG 113  21.933  15.902 -17.595
  824    HB2  ARG 113           HB2      ARG 113  24.234  16.305 -19.573
  825    HB3  ARG 113           HB3      ARG 113  22.596  15.800 -20.039
  826    HG2  ARG 113           HG2      ARG 113  21.663  17.827 -18.974
  827    HG3  ARG 113           HG3      ARG 113  23.278  18.351 -18.533
  828    HD2  ARG 113           HD2      ARG 113  23.104  19.612 -20.331
  829    HD3  ARG 113           HD3      ARG 113  23.718  18.166 -21.154
  830    HE   ARG 113           HE       ARG 113  20.783  18.724 -20.833
  831   HH11  ARG 113          HH11      ARG 113  23.474  18.102 -23.093
  832   HH12  ARG 113          HH12      ARG 113  22.487  18.243 -24.500
  833   HH21  ARG 113          HH21      ARG 113  19.572  19.104 -22.626
  834   HH22  ARG 113          HH22      ARG 113  20.155  18.753 -24.236
  835    H    THR 114           H        THR 114  25.227  14.391 -17.749
  836    HA   THR 114           HA       THR 114  24.297  11.910 -18.735
  837    HB   THR 114           HB       THR 114  26.714  12.702 -17.037
  838    HG1  THR 114           HG1      THR 114  26.848  13.770 -18.889
  839   HG21  THR 114          HG21      THR 114  26.190  10.225 -18.713
  840   HG22  THR 114          HG22      THR 114  27.772  10.692 -18.027
  841   HG23  THR 114          HG23      THR 114  26.422  10.306 -16.948
  842    H    VAL 115           H        VAL 115  24.957  13.051 -15.337
  843    HA   VAL 115           HA       VAL 115  24.066  10.615 -14.175
  844    HB   VAL 115           HB       VAL 115  24.379  13.388 -13.076
  845   HG11  VAL 115          HG11      VAL 115  23.743  10.806 -11.614
  846   HG12  VAL 115          HG12      VAL 115  24.441  12.205 -10.797
  847   HG13  VAL 115          HG13      VAL 115  22.851  12.334 -11.553
  848   HG21  VAL 115          HG21      VAL 115  26.148  10.919 -12.804
  849   HG22  VAL 115          HG22      VAL 115  26.501  12.328 -13.816
  850   HG23  VAL 115          HG23      VAL 115  26.455  12.507 -12.066
  851    H    ARG 116           H        ARG 116  22.278  13.703 -14.868
  852    HA   ARG 116           HA       ARG 116  19.922  12.924 -13.545
  853    HB2  ARG 116           HB2      ARG 116  20.380  15.178 -14.275
  854    HB3  ARG 116           HB3      ARG 116  20.373  14.733 -15.966
  855    HG2  ARG 116           HG2      ARG 116  17.977  14.251 -14.179
  856    HG3  ARG 116           HG3      ARG 116  18.269  15.843 -14.752
  857    HD2  ARG 116           HD2      ARG 116  17.048  13.600 -16.156
  858    HD3  ARG 116           HD3      ARG 116  16.846  15.353 -16.372
  859    HE   ARG 116           HE       ARG 116  18.619  13.542 -17.845
  860   HH11  ARG 116          HH11      ARG 116  17.642  16.920 -17.320
  861   HH12  ARG 116          HH12      ARG 116  18.781  17.533 -18.496
  862   HH21  ARG 116          HH21      ARG 116  20.011  14.435 -19.503
  863   HH22  ARG 116          HH22      ARG 116  19.920  16.137 -19.834
  864    H    GLY 117           H        GLY 117  20.939  12.299 -16.943
  865    HA2  GLY 117           HA2      GLY 117  18.602  10.837 -17.686
  866    HA3  GLY 117           HA3      GLY 117  20.220  10.671 -18.411
  867    H    GLN 118           H        GLN 118  21.756   9.678 -16.270
  868    HA   GLN 118           HA       GLN 118  21.051   6.933 -16.367
  869    HB2  GLN 118           HB2      GLN 118  23.036   8.521 -14.698
  870    HB3  GLN 118           HB3      GLN 118  22.870   6.775 -14.551
  871    HG2  GLN 118           HG2      GLN 118  23.292   6.615 -17.062
  872    HG3  GLN 118           HG3      GLN 118  23.751   8.321 -17.003
  873   HE21  GLN 118          HE22      GLN 118  25.539   8.894 -15.372
  874   HE22  GLN 118          HE21      GLN 118  26.799   7.710 -15.129
  875    H    VAL 119           H        VAL 119  20.764   9.307 -13.724
  876    HA   VAL 119           HA       VAL 119  19.607   7.649 -11.758
  877    HB   VAL 119           HB       VAL 119  19.376  10.646 -12.318
  878   HG11  VAL 119          HG11      VAL 119  17.398  10.090 -11.029
  879   HG12  VAL 119          HG12      VAL 119  18.357   9.104  -9.907
  880   HG13  VAL 119          HG13      VAL 119  18.576  10.870  -9.970
  881   HG21  VAL 119          HG21      VAL 119  20.856   9.082 -10.134
  882   HG22  VAL 119          HG22      VAL 119  21.622   9.680 -11.611
  883   HG23  VAL 119          HG23      VAL 119  20.951  10.829 -10.447
  884    H    LYS 120           H        LYS 120  17.937   9.656 -14.323
  885    HA   LYS 120           HA       LYS 120  15.332   8.939 -13.452
  886    HB2  LYS 120           HB2      LYS 120  15.702  10.783 -14.996
  887    HB3  LYS 120           HB3      LYS 120  16.427   9.705 -16.198
  888    HG2  LYS 120           HG2      LYS 120  14.286   8.558 -16.533
  889    HG3  LYS 120           HG3      LYS 120  13.526   9.564 -15.278
  890    HD2  LYS 120           HD2      LYS 120  13.948  11.582 -16.606
  891    HD3  LYS 120           HD3      LYS 120  14.779  10.645 -17.851
  892    HE2  LYS 120           HE2      LYS 120  11.855  10.257 -17.048
  893    HE3  LYS 120           HE3      LYS 120  12.393  11.267 -18.392
  894    HZ1  LYS 120           HZ1      LYS 120  11.763   9.123 -19.201
  895    HZ2  LYS 120           HZ2      LYS 120  13.371   9.266 -19.401
  896    HZ3  LYS 120           HZ3      LYS 120  12.765   8.320 -18.198
  897    H    GLU 121           H        GLU 121  17.501   7.354 -15.790
  898    HA   GLU 121           HA       GLU 121  15.778   5.255 -16.569
  899    HB2  GLU 121           HB2      GLU 121  17.615   5.332 -17.932
  900    HB3  GLU 121           HB3      GLU 121  18.631   6.034 -16.666
  901    HG2  GLU 121           HG2      GLU 121  19.225   4.045 -15.734
  902    HG3  GLU 121           HG3      GLU 121  18.060   3.085 -16.681
  903    H    ARG 122           H        ARG 122  18.012   5.575 -13.787
  904    HA   ARG 122           HA       ARG 122  17.592   2.826 -12.942
  905    HB2  ARG 122           HB2      ARG 122  18.915   5.235 -11.666
  906    HB3  ARG 122           HB3      ARG 122  18.744   3.680 -10.833
  907    HG2  ARG 122           HG2      ARG 122  20.142   2.518 -12.206
  908    HG3  ARG 122           HG3      ARG 122  19.883   3.594 -13.569
  909    HD2  ARG 122           HD2      ARG 122  21.212   5.379 -12.379
  910    HD3  ARG 122           HD3      ARG 122  21.504   4.231 -11.068
  911    HE   ARG 122           HE       ARG 122  23.188   3.316 -12.285
  912   HH11  ARG 122          HH11      ARG 122  21.011   4.883 -14.599
  913   HH12  ARG 122          HH12      ARG 122  21.815   4.296 -16.012
  914   HH21  ARG 122          HH21      ARG 122  24.435   2.729 -14.147
  915   HH22  ARG 122          HH22      ARG 122  23.945   3.244 -15.715
  916    H    VAL 123           H        VAL 123  16.169   5.969 -11.690
  917    HA   VAL 123           HA       VAL 123  14.379   4.879  -9.919
  918    HB   VAL 123           HB       VAL 123  14.015   7.179 -11.876
  919   HG11  VAL 123          HG11      VAL 123  11.814   6.503 -11.050
  920   HG12  VAL 123          HG12      VAL 123  12.415   6.451  -9.383
  921   HG13  VAL 123          HG13      VAL 123  12.323   7.997 -10.266
  922   HG21  VAL 123          HG21      VAL 123  15.931   7.434 -10.251
  923   HG22  VAL 123          HG22      VAL 123  14.631   8.590  -9.991
  924   HG23  VAL 123          HG23      VAL 123  14.794   7.181  -8.929
  925    H    GLU 124           H        GLU 124  13.905   5.176 -13.549
  926    HA   GLU 124           HA       GLU 124  11.382   3.911 -13.542
  927    HB2  GLU 124           HB2      GLU 124  13.547   3.977 -15.697
  928    HB3  GLU 124           HB3      GLU 124  11.950   3.271 -15.939
  929    HG2  GLU 124           HG2      GLU 124  10.902   5.462 -15.434
  930    HG3  GLU 124           HG3      GLU 124  12.513   6.169 -15.244
  931    H    ASN 125           H        ASN 125  14.640   2.549 -13.653
  932    HA   ASN 125           HA       ASN 125  13.933  -0.150 -14.135
  933    HB2  ASN 125           HB2      ASN 125  16.273   1.110 -14.109
  934    HB3  ASN 125           HB3      ASN 125  16.330   0.585 -12.432
  935   HD21  ASN 125          HD22      ASN 125  16.830  -0.274 -15.701
  936   HD22  ASN 125          HD21      ASN 125  17.119  -1.984 -15.469
  937    H    LEU 126           H        LEU 126  14.445   1.648 -11.112
  938    HA   LEU 126           HA       LEU 126  13.931  -0.520  -9.374
  939    HB2  LEU 126           HB2      LEU 126  14.529   0.803  -7.722
  940    HB3  LEU 126           HB3      LEU 126  14.977   1.920  -8.991
  941    HG   LEU 126           HG       LEU 126  12.534   2.797  -8.747
  942   HD11  LEU 126          HD11      LEU 126  12.926   1.749  -5.917
  943   HD12  LEU 126          HD12      LEU 126  11.480   2.512  -6.611
  944   HD13  LEU 126          HD13      LEU 126  11.964   0.868  -7.084
  945   HD21  LEU 126          HD21      LEU 126  13.137   4.485  -7.278
  946   HD22  LEU 126          HD22      LEU 126  14.278   3.470  -6.386
  947   HD23  LEU 126          HD23      LEU 126  14.670   4.000  -8.020
  948    H    ILE 127           H        ILE 127  11.717   1.994 -10.579
  949    HA   ILE 127           HA       ILE 127   9.354   1.073  -9.317
  950    HB   ILE 127           HB       ILE 127   9.973   2.561 -11.896
  951   HG12  ILE 127          HG12      ILE 127   8.641   3.599  -9.350
  952   HG13  ILE 127          HG13      ILE 127  10.388   3.618  -9.561
  953   HG21  ILE 127          HG21      ILE 127   7.247   1.877 -10.745
  954   HG22  ILE 127          HG22      ILE 127   7.506   3.209 -11.908
  955   HG23  ILE 127          HG23      ILE 127   7.887   1.564 -12.371
  956   HD11  ILE 127          HD11      ILE 127   8.391   5.110 -11.312
  957   HD12  ILE 127          HD12      ILE 127   9.528   5.793 -10.143
  958   HD13  ILE 127          HD13      ILE 127  10.130   5.008 -11.619
  959    H    ALA 128           H        ALA 128  10.958  -0.069 -12.338
  960    HA   ALA 128           HA       ALA 128   8.728  -1.479 -13.332
  961    HB1  ALA 128           HB1      ALA 128  10.771  -1.002 -14.652
  962    HB2  ALA 128           HB2      ALA 128  11.675  -2.190 -13.682
  963    HB3  ALA 128           HB3      ALA 128  10.333  -2.720 -14.712
  964    H    LYS 129           H        LYS 129  11.042  -2.364 -10.871
  965    HA   LYS 129           HA       LYS 129  10.518  -5.148 -10.663
  966    HB2  LYS 129           HB2      LYS 129  11.637  -3.124  -8.732
  967    HB3  LYS 129           HB3      LYS 129  11.752  -4.876  -8.510
  968    HG2  LYS 129           HG2      LYS 129  13.120  -5.110 -10.514
  969    HG3  LYS 129           HG3      LYS 129  12.877  -3.415 -10.939
  970    HD2  LYS 129           HD2      LYS 129  13.906  -2.919  -8.581
  971    HD3  LYS 129           HD3      LYS 129  14.549  -4.563  -8.716
  972    HE2  LYS 129           HE2      LYS 129  14.955  -2.221 -10.641
  973    HE3  LYS 129           HE3      LYS 129  16.167  -2.837  -9.518
  974    HZ1  LYS 129           HZ1      LYS 129  16.386  -3.536 -11.872
  975    HZ2  LYS 129           HZ2      LYS 129  16.358  -4.808 -10.824
  976    HZ3  LYS 129           HZ3      LYS 129  15.047  -4.440 -11.743
  977    H    ILE 130           H        ILE 130   8.773  -2.347  -9.413
  978    HA   ILE 130           HA       ILE 130   7.306  -3.964  -7.481
  979    HB   ILE 130           HB       ILE 130   7.169  -1.677  -6.339
  980   HG12  ILE 130          HG12      ILE 130   9.260  -0.937  -8.321
  981   HG13  ILE 130          HG13      ILE 130   7.738  -0.125  -7.958
  982   HG21  ILE 130          HG21      ILE 130   9.953  -2.903  -6.681
  983   HG22  ILE 130          HG22      ILE 130   9.323  -2.142  -5.201
  984   HG23  ILE 130          HG23      ILE 130   8.673  -3.691  -5.731
  985   HD11  ILE 130          HD11      ILE 130  10.246  -0.304  -6.240
  986   HD12  ILE 130          HD12      ILE 130   9.582   1.125  -7.032
  987   HD13  ILE 130          HD13      ILE 130   8.712   0.371  -5.660
  988    H    SER 131           H        SER 131   6.982  -1.800 -10.086
  989    HA   SER 131           HA       SER 131   4.442  -0.813 -10.118
  990    HB2  SER 131           HB2      SER 131   5.846  -2.310 -12.366
  991    HB3  SER 131           HB3      SER 131   4.411  -1.289 -12.567
  992    HG   SER 131           HG       SER 131   6.953  -0.475 -11.564
  Start of MODEL    5
    1    H    MET   1           H        MET   1   1.102  -0.990  -1.909
    2    HA   MET   1           HA       MET   1   2.419   0.538  -4.037
    3    HB2  MET   1           HB2      MET   1   0.807   1.959  -2.939
    4    HB3  MET   1           HB3      MET   1   1.351   1.465  -1.332
    5    HG2  MET   1           HG2      MET   1   3.418   2.627  -1.549
    6    HG3  MET   1           HG3      MET   1   3.193   2.873  -3.275
    7    HE1  MET   1           HE1      MET   1   0.463   4.076  -3.888
    8    HE2  MET   1           HE2      MET   1   0.720   5.806  -3.592
    9    HE3  MET   1           HE3      MET   1   1.976   4.855  -4.403
   10    H    LYS   2           H        LYS   2   4.607   1.093  -3.669
   11    HA   LYS   2           HA       LYS   2   5.941  -0.204  -1.319
   12    HB2  LYS   2           HB2      LYS   2   6.690  -0.264  -4.245
   13    HB3  LYS   2           HB3      LYS   2   7.979   0.107  -3.109
   14    HG2  LYS   2           HG2      LYS   2   8.151  -2.158  -3.236
   15    HG3  LYS   2           HG3      LYS   2   7.189  -1.944  -1.769
   16    HD2  LYS   2           HD2      LYS   2   5.125  -2.370  -3.238
   17    HD3  LYS   2           HD3      LYS   2   6.248  -2.880  -4.501
   18    HE2  LYS   2           HE2      LYS   2   5.879  -4.078  -1.715
   19    HE3  LYS   2           HE3      LYS   2   5.449  -4.829  -3.252
   20    HZ1  LYS   2           HZ1      LYS   2   7.495  -5.731  -2.405
   21    HZ2  LYS   2           HZ2      LYS   2   7.844  -4.912  -3.769
   22    HZ3  LYS   2           HZ3      LYS   2   8.212  -4.268  -2.289
   23    H    LYS   3           H        LYS   3   7.409   1.032  -0.227
   24    HA   LYS   3           HA       LYS   3   7.474   3.911  -0.935
   25    HB2  LYS   3           HB2      LYS   3   7.681   2.357   1.634
   26    HB3  LYS   3           HB3      LYS   3   8.617   3.832   1.514
   27    HG2  LYS   3           HG2      LYS   3   6.743   5.168   0.818
   28    HG3  LYS   3           HG3      LYS   3   5.659   3.759   0.779
   29    HD2  LYS   3           HD2      LYS   3   5.795   3.521   3.187
   30    HD3  LYS   3           HD3      LYS   3   7.094   4.741   3.273
   31    HE2  LYS   3           HE2      LYS   3   5.574   6.467   2.455
   32    HE3  LYS   3           HE3      LYS   3   4.254   5.289   2.319
   33    HZ1  LYS   3           HZ1      LYS   3   4.227   6.629   4.405
   34    HZ2  LYS   3           HZ2      LYS   3   4.291   5.018   4.690
   35    HZ3  LYS   3           HZ3      LYS   3   5.644   5.908   4.862
   36    H    VAL   4           H        VAL   4   9.102   4.654  -1.973
   37    HA   VAL   4           HA       VAL   4  11.693   3.207  -2.073
   38    HB   VAL   4           HB       VAL   4  10.490   5.507  -3.683
   39   HG11  VAL   4          HG11      VAL   4  12.289   5.085  -5.316
   40   HG12  VAL   4          HG12      VAL   4  12.957   5.584  -3.769
   41   HG13  VAL   4          HG13      VAL   4  13.007   3.872  -4.231
   42   HG21  VAL   4          HG21      VAL   4  10.764   2.591  -4.477
   43   HG22  VAL   4          HG22      VAL   4   9.242   3.425  -4.109
   44   HG23  VAL   4          HG23      VAL   4  10.201   3.908  -5.507
   45    H    MET   5           H        MET   5  13.453   4.026  -1.083
   46    HA   MET   5           HA       MET   5  13.440   6.967  -0.408
   47    HB2  MET   5           HB2      MET   5  13.359   5.667   1.654
   48    HB3  MET   5           HB3      MET   5  14.751   4.713   1.116
   49    HG2  MET   5           HG2      MET   5  15.520   6.383   2.699
   50    HG3  MET   5           HG3      MET   5  16.141   6.741   1.121
   51    HE1  MET   5           HE1      MET   5  13.254   7.532   3.604
   52    HE2  MET   5           HE2      MET   5  14.726   8.296   4.226
   53    HE3  MET   5           HE3      MET   5  13.362   9.306   3.693
   54    H    PHE   6           H        PHE   6  15.230   8.106  -0.997
   55    HA   PHE   6           HA       PHE   6  17.490   6.673  -2.320
   56    HB2  PHE   6           HB2      PHE   6  16.595   9.513  -2.765
   57    HB3  PHE   6           HB3      PHE   6  17.969   8.693  -3.516
   58    HD1  PHE   6           HD2      PHE   6  17.525   6.626  -4.957
   59    HD2  PHE   6           HD1      PHE   6  14.454   9.416  -3.775
   60    HE1  PHE   6           HE2      PHE   6  16.054   5.787  -6.820
   61    HE2  PHE   6           HE1      PHE   6  13.130   8.693  -5.762
   62    HZ   PHE   6           HZ       PHE   6  13.818   6.794  -7.129
   63    H    VAL   7           H        VAL   7  19.521   6.976  -1.199
   64    HA   VAL   7           HA       VAL   7  19.582   8.948   1.053
   65    HB   VAL   7           HB       VAL   7  20.674   6.091   1.117
   66   HG11  VAL   7          HG11      VAL   7  20.121   8.107   3.332
   67   HG12  VAL   7          HG12      VAL   7  20.760   6.462   3.542
   68   HG13  VAL   7          HG13      VAL   7  21.723   7.669   2.696
   69   HG21  VAL   7          HG21      VAL   7  18.823   5.439   2.592
   70   HG22  VAL   7          HG22      VAL   7  18.019   6.982   2.252
   71   HG23  VAL   7          HG23      VAL   7  18.284   5.785   0.951
   72    H    CYS   8           H        CYS   8  21.446  10.231   0.889
   73    HA   CYS   8           HA       CYS   8  23.774   9.128  -0.639
   74    HB2  CYS   8           HB2      CYS   8  22.437  10.605  -2.080
   75    HB3  CYS   8           HB3      CYS   8  22.382  11.833  -0.840
   76    HG   CYS   8           HG       CYS   8  24.799  10.711  -2.745
   77    H    LYS   9           H        LYS   9  25.769  10.292  -0.300
   78    HA   LYS   9           HA       LYS   9  26.401  10.843   2.443
   79    HB2  LYS   9           HB2      LYS   9  27.768  10.824  -0.215
   80    HB3  LYS   9           HB3      LYS   9  28.407  12.028   0.919
   81    HG2  LYS   9           HG2      LYS   9  28.730  10.304   2.632
   82    HG3  LYS   9           HG3      LYS   9  28.040   9.070   1.559
   83    HD2  LYS   9           HD2      LYS   9  29.838   9.358  -0.043
   84    HD3  LYS   9           HD3      LYS   9  30.518  10.717   0.856
   85    HE2  LYS   9           HE2      LYS   9  30.270   7.877   1.950
   86    HE3  LYS   9           HE3      LYS   9  31.713   8.506   1.145
   87    HZ1  LYS   9           HZ1      LYS   9  30.580   9.592   3.663
   88    HZ2  LYS   9           HZ2      LYS   9  31.929   8.689   3.532
   89    HZ3  LYS   9           HZ3      LYS   9  31.896  10.181   2.890
   90    H    ARG  10           H        ARG  10  25.007  12.892  -0.070
   91    HA   ARG  10           HA       ARG  10  25.090  15.139   1.880
   92    HB2  ARG  10           HB2      ARG  10  25.680  16.709   0.143
   93    HB3  ARG  10           HB3      ARG  10  26.933  15.493   0.356
   94    HG2  ARG  10           HG2      ARG  10  26.371  14.404  -1.763
   95    HG3  ARG  10           HG3      ARG  10  24.864  15.317  -1.872
   96    HD2  ARG  10           HD2      ARG  10  26.125  16.501  -3.311
   97    HD3  ARG  10           HD3      ARG  10  26.446  17.445  -1.860
   98    HE   ARG  10           HE       ARG  10  28.212  15.777  -3.471
   99   HH11  ARG  10          HH11      ARG  10  28.023  17.584  -0.394
  100   HH12  ARG  10          HH12      ARG  10  29.735  17.693  -0.228
  101   HH21  ARG  10          HH21      ARG  10  30.338  15.893  -3.263
  102   HH22  ARG  10          HH22      ARG  10  31.137  16.687  -1.920
  103    H    ASN  11           H        ASN  11  23.017  13.351  -0.110
  104    HA   ASN  11           HA       ASN  11  20.854  13.475  -0.741
  105    HB2  ASN  11           HB2      ASN  11  20.340  14.147   1.538
  106    HB3  ASN  11           HB3      ASN  11  20.617  15.839   1.135
  107   HD21  ASN  11          HD22      ASN  11  18.558  13.034   0.145
  108   HD22  ASN  11          HD21      ASN  11  17.195  14.029  -0.367
  109    H    SER  12           H        SER  12  22.338  16.705  -0.806
  110    HA   SER  12           HA       SER  12  20.781  18.362  -1.982
  111    HB2  SER  12           HB2      SER  12  22.772  19.434  -2.996
  112    HB3  SER  12           HB3      SER  12  23.047  18.856  -1.339
  113    HG   SER  12           HG       SER  12  24.715  18.366  -2.888
  114    H    CYS  13           H        CYS  13  22.324  15.908  -4.052
  115    HA   CYS  13           HA       CYS  13  20.803  17.009  -6.383
  116    HB2  CYS  13           HB2      CYS  13  22.922  16.418  -7.702
  117    HB3  CYS  13           HB3      CYS  13  22.956  17.876  -6.706
  118    HG   CYS  13           HG       CYS  13  24.204  16.915  -4.674
  119    H    ARG  14           H        ARG  14  22.858  14.163  -5.494
  120    HA   ARG  14           HA       ARG  14  21.855  12.545  -7.520
  121    HB2  ARG  14           HB2      ARG  14  22.963  11.683  -4.806
  122    HB3  ARG  14           HB3      ARG  14  22.666  10.569  -6.152
  123    HG2  ARG  14           HG2      ARG  14  24.280  11.633  -7.547
  124    HG3  ARG  14           HG3      ARG  14  24.462  13.013  -6.466
  125    HD2  ARG  14           HD2      ARG  14  25.073  10.332  -5.291
  126    HD3  ARG  14           HD3      ARG  14  26.176  10.918  -6.537
  127    HE   ARG  14           HE       ARG  14  26.016  13.113  -4.935
  128   HH11  ARG  14          HH22      ARG  14  26.587   9.743  -4.038
  129   HH12  ARG  14          HH21      ARG  14  27.994  10.091  -3.077
  130   HH21  ARG  14          HH11      ARG  14  27.608  13.594  -3.467
  131   HH22  ARG  14          HH12      ARG  14  28.418  12.365  -2.523
  132    H    SER  15           H        SER  15  20.828  12.418  -4.023
  133    HA   SER  15           HA       SER  15  18.676  10.659  -4.480
  134    HB2  SER  15           HB2      SER  15  18.600  12.668  -2.252
  135    HB3  SER  15           HB3      SER  15  18.241  10.927  -2.240
  136    HG   SER  15           HG       SER  15  20.094  11.165  -1.168
  137    H    GLN  16           H        GLN  16  18.829  14.252  -4.255
  138    HA   GLN  16           HA       GLN  16  16.069  14.769  -4.145
  139    HB2  GLN  16           HB2      GLN  16  18.515  16.331  -5.037
  140    HB3  GLN  16           HB3      GLN  16  16.927  17.048  -5.221
  141    HG2  GLN  16           HG2      GLN  16  17.938  15.921  -2.588
  142    HG3  GLN  16           HG3      GLN  16  18.138  17.604  -3.051
  143   HE21  GLN  16          HE22      GLN  16  16.756  16.629  -0.743
  144   HE22  GLN  16          HE21      GLN  16  15.081  17.176  -0.869
  145    H    MET  17           H        MET  17  18.198  14.551  -7.047
  146    HA   MET  17           HA       MET  17  16.113  15.111  -8.948
  147    HB2  MET  17           HB2      MET  17  18.784  13.659  -9.085
  148    HB3  MET  17           HB3      MET  17  17.695  13.765 -10.461
  149    HG2  MET  17           HG2      MET  17  17.643  16.292 -10.088
  150    HG3  MET  17           HG3      MET  17  19.048  16.069  -9.039
  151    HE1  MET  17           HE1      MET  17  20.994  14.175 -10.260
  152    HE2  MET  17           HE2      MET  17  21.870  15.130 -11.482
  153    HE3  MET  17           HE3      MET  17  21.456  15.861  -9.914
  154    H    ALA  18           H        ALA  18  17.405  12.032  -7.582
  155    HA   ALA  18           HA       ALA  18  15.823  10.327  -9.152
  156    HB1  ALA  18           HB1      ALA  18  16.405   8.640  -7.580
  157    HB2  ALA  18           HB2      ALA  18  17.794   9.728  -7.650
  158    HB3  ALA  18           HB3      ALA  18  16.678   9.824  -6.280
  159    H    GLU  19           H        GLU  19  15.039  11.989  -6.100
  160    HA   GLU  19           HA       GLU  19  12.505  10.695  -5.621
  161    HB2  GLU  19           HB2      GLU  19  13.921  12.161  -4.031
  162    HB3  GLU  19           HB3      GLU  19  13.191  13.556  -4.832
  163    HG2  GLU  19           HG2      GLU  19  10.921  12.474  -4.302
  164    HG3  GLU  19           HG3      GLU  19  11.797  11.335  -3.284
  165    H    GLY  20           H        GLY  20  13.352  13.733  -7.357
  166    HA2  GLY  20           HA2      GLY  20  10.694  14.491  -7.984
  167    HA3  GLY  20           HA3      GLY  20  12.156  14.974  -8.861
  168    H    PHE  21           H        PHE  21  13.058  12.449  -9.879
  169    HA   PHE  21           HA       PHE  21  11.199  12.097 -12.061
  170    HB2  PHE  21           HB2      PHE  21  13.541  10.333 -11.251
  171    HB3  PHE  21           HB3      PHE  21  12.621  10.185 -12.744
  172    HD1  PHE  21           HD2      PHE  21  12.406  12.570 -14.126
  173    HD2  PHE  21           HD1      PHE  21  15.603  11.422 -11.471
  174    HE1  PHE  21           HE2      PHE  21  13.783  14.479 -14.930
  175    HE2  PHE  21           HE1      PHE  21  17.003  13.251 -12.382
  176    HZ   PHE  21           HZ       PHE  21  16.017  14.856 -14.010
  177    H    ALA  22           H        ALA  22  11.948  10.085  -9.161
  178    HA   ALA  22           HA       ALA  22  10.212   7.965  -9.763
  179    HB1  ALA  22           HB1      ALA  22  11.075   9.107  -7.084
  180    HB2  ALA  22           HB2      ALA  22  10.272   7.526  -7.301
  181    HB3  ALA  22           HB3      ALA  22  11.880   7.830  -7.989
  182    H    LYS  23           H        LYS  23   9.374  11.033  -8.005
  183    HA   LYS  23           HA       LYS  23   6.720  10.021  -7.672
  184    HB2  LYS  23           HB2      LYS  23   6.092  12.041  -6.653
  185    HB3  LYS  23           HB3      LYS  23   7.681  11.562  -6.083
  186    HG2  LYS  23           HG2      LYS  23   8.697  13.225  -7.700
  187    HG3  LYS  23           HG3      LYS  23   7.069  13.721  -8.153
  188    HD2  LYS  23           HD2      LYS  23   7.824  15.259  -6.427
  189    HD3  LYS  23           HD3      LYS  23   6.576  14.191  -5.709
  190    HE2  LYS  23           HE2      LYS  23   8.179  12.826  -4.648
  191    HE3  LYS  23           HE3      LYS  23   9.532  13.616  -5.485
  192    HZ1  LYS  23           HZ1      LYS  23   7.769  14.959  -3.500
  193    HZ2  LYS  23           HZ2      LYS  23   9.289  14.405  -3.197
  194    HZ3  LYS  23           HZ3      LYS  23   9.086  15.632  -4.236
  195    H    THR  24           H        THR  24   8.237  11.345 -10.439
  196    HA   THR  24           HA       THR  24   5.666  12.052 -11.599
  197    HB   THR  24           HB       THR  24   8.476  11.823 -12.823
  198    HG1  THR  24           HG1      THR  24   8.612  13.373 -11.244
  199   HG21  THR  24          HG21      THR  24   6.719  11.881 -14.487
  200   HG22  THR  24          HG22      THR  24   5.973  13.298 -13.710
  201   HG23  THR  24          HG23      THR  24   7.579  13.430 -14.480
  202    H    LEU  25           H        LEU  25   8.163   9.553 -11.870
  203    HA   LEU  25           HA       LEU  25   7.017   8.135 -14.061
  204    HB2  LEU  25           HB2      LEU  25   9.123   7.412 -11.992
  205    HB3  LEU  25           HB3      LEU  25   8.764   6.439 -13.417
  206    HG   LEU  25           HG       LEU  25   9.754   9.333 -13.554
  207   HD11  LEU  25          HD11      LEU  25  11.228   6.678 -13.643
  208   HD12  LEU  25          HD12      LEU  25  11.922   8.217 -14.221
  209   HD13  LEU  25          HD13      LEU  25  11.440   8.042 -12.530
  210   HD21  LEU  25          HD21      LEU  25   9.506   7.142 -15.671
  211   HD22  LEU  25          HD22      LEU  25   8.538   8.631 -15.582
  212   HD23  LEU  25          HD23      LEU  25  10.269   8.730 -15.910
  213    H    GLY  26           H        GLY  26   7.070   7.583 -10.566
  214    HA2  GLY  26           HA2      GLY  26   5.165   5.294 -10.922
  215    HA3  GLY  26           HA3      GLY  26   6.504   5.372  -9.785
  216    H    ALA  27           H        ALA  27   5.273   8.429  -9.409
  217    HA   ALA  27           HA       ALA  27   3.905   7.881  -7.005
  218    HB1  ALA  27           HB1      ALA  27   3.612  10.254  -8.874
  219    HB2  ALA  27           HB2      ALA  27   2.887  10.163  -7.257
  220    HB3  ALA  27           HB3      ALA  27   4.636  10.147  -7.398
  221    H    GLY  28           H        GLY  28   2.038   6.981  -6.592
  222    HA2  GLY  28           HA2      GLY  28  -0.441   6.917  -7.139
  223    HA3  GLY  28           HA3      GLY  28   0.062   6.519  -8.792
  224    H    LYS  29           H        LYS  29   2.384   4.854  -7.983
  225    HA   LYS  29           HA       LYS  29   1.085   2.634  -6.494
  226    HB2  LYS  29           HB2      LYS  29   2.300   1.076  -8.018
  227    HB3  LYS  29           HB3      LYS  29   0.895   1.926  -8.656
  228    HG2  LYS  29           HG2      LYS  29   2.374   1.893 -10.434
  229    HG3  LYS  29           HG3      LYS  29   2.460   3.534  -9.844
  230    HD2  LYS  29           HD2      LYS  29   4.679   2.724 -10.436
  231    HD3  LYS  29           HD3      LYS  29   4.585   3.018  -8.703
  232    HE2  LYS  29           HE2      LYS  29   5.778   0.885  -9.189
  233    HE3  LYS  29           HE3      LYS  29   4.293   0.606  -8.277
  234    HZ1  LYS  29           HZ1      LYS  29   3.215   0.059 -10.436
  235    HZ2  LYS  29           HZ2      LYS  29   4.673   0.125 -11.171
  236    HZ3  LYS  29           HZ3      LYS  29   4.360  -0.995  -9.992
  237    H    ILE  30           H        ILE  30   3.812   4.738  -6.784
  238    HA   ILE  30           HA       ILE  30   4.877   3.349  -4.407
  239    HB   ILE  30           HB       ILE  30   7.135   4.114  -4.992
  240   HG12  ILE  30          HG12      ILE  30   6.321   4.377  -7.880
  241   HG13  ILE  30          HG13      ILE  30   6.300   5.792  -6.822
  242   HG21  ILE  30          HG21      ILE  30   5.802   2.087  -6.844
  243   HG22  ILE  30          HG22      ILE  30   7.558   2.292  -6.663
  244   HG23  ILE  30          HG23      ILE  30   6.580   1.815  -5.270
  245   HD11  ILE  30          HD11      ILE  30   8.390   5.705  -8.065
  246   HD12  ILE  30          HD12      ILE  30   8.674   5.531  -6.327
  247   HD13  ILE  30          HD13      ILE  30   8.776   4.105  -7.428
  248    H    ALA  31           H        ALA  31   5.788   4.745  -2.887
  249    HA   ALA  31           HA       ALA  31   5.214   7.667  -3.212
  250    HB1  ALA  31           HB1      ALA  31   5.201   5.863  -0.740
  251    HB2  ALA  31           HB2      ALA  31   5.118   7.639  -0.692
  252    HB3  ALA  31           HB3      ALA  31   3.803   6.708  -1.441
  253    H    VAL  32           H        VAL  32   7.136   8.885  -3.093
  254    HA   VAL  32           HA       VAL  32   9.565   7.381  -2.278
  255    HB   VAL  32           HB       VAL  32   9.209   7.685  -4.672
  256   HG11  VAL  32          HG11      VAL  32   8.035   9.728  -4.858
  257   HG12  VAL  32          HG12      VAL  32   9.401  10.647  -4.173
  258   HG13  VAL  32          HG13      VAL  32   9.535   9.860  -5.752
  259   HG21  VAL  32          HG21      VAL  32  11.360   7.846  -5.110
  260   HG22  VAL  32          HG22      VAL  32  11.642   9.257  -4.039
  261   HG23  VAL  32          HG23      VAL  32  11.488   7.625  -3.382
  262    H    THR  33           H        THR  33  11.229   8.410  -1.288
  263    HA   THR  33           HA       THR  33  11.013  11.247  -0.719
  264    HB   THR  33           HB       THR  33  11.710   9.217   1.458
  265    HG1  THR  33           HG1      THR  33   9.192  10.273   0.822
  266   HG21  THR  33          HG21      THR  33  11.093  12.189   1.549
  267   HG22  THR  33          HG22      THR  33  11.029  11.145   2.983
  268   HG23  THR  33          HG23      THR  33  12.549  11.331   2.118
  269    H    SER  34           H        SER  34  13.214  12.144  -0.255
  270    HA   SER  34           HA       SER  34  15.445  10.233  -0.506
  271    HB2  SER  34           HB2      SER  34  16.681  11.993  -1.539
  272    HB3  SER  34           HB3      SER  34  15.207  11.690  -2.462
  273    HG   SER  34           HG       SER  34  14.332  13.551  -1.585
  274    H    CYS  35           H        CYS  35  17.373  10.795   0.755
  275    HA   CYS  35           HA       CYS  35  17.198  12.936   2.673
  276    HB2  CYS  35           HB2      CYS  35  17.355  11.537   4.675
  277    HB3  CYS  35           HB3      CYS  35  15.861  11.163   3.815
  278    HG   CYS  35           HG       CYS  35  16.739   9.073   2.560
  279    H    GLY  36           H        GLY  36  19.392  12.073   4.273
  280    HA2  GLY  36           HA2      GLY  36  21.308  10.698   2.657
  281    HA3  GLY  36           HA3      GLY  36  21.713  12.422   2.804
  282    H    LEU  37           H        LEU  37  23.385  10.515   3.751
  283    HA   LEU  37           HA       LEU  37  23.183   9.771   6.491
  284    HB2  LEU  37           HB2      LEU  37  25.592  10.484   4.774
  285    HB3  LEU  37           HB3      LEU  37  25.725   9.844   6.406
  286    HG   LEU  37           HG       LEU  37  24.375   8.373   4.097
  287   HD11  LEU  37          HD11      LEU  37  26.374   6.943   4.097
  288   HD12  LEU  37          HD12      LEU  37  26.797   8.621   3.740
  289   HD13  LEU  37          HD13      LEU  37  27.119   7.955   5.357
  290   HD21  LEU  37          HD21      LEU  37  23.447   7.600   6.211
  291   HD22  LEU  37          HD22      LEU  37  24.601   6.390   5.647
  292   HD23  LEU  37          HD23      LEU  37  25.066   7.505   6.943
  293    H    GLU  38           H        GLU  38  23.920  12.821   4.928
  294    HA   GLU  38           HA       GLU  38  23.268  14.229   7.347
  295    HB2  GLU  38           HB2      GLU  38  25.772  14.084   7.473
  296    HB3  GLU  38           HB3      GLU  38  25.871  14.804   5.859
  297    HG2  GLU  38           HG2      GLU  38  26.350  16.446   7.599
  298    HG3  GLU  38           HG3      GLU  38  24.918  16.894   6.692
  299    H    SER  39           H        SER  39  22.351  16.237   6.727
  300    HA   SER  39           HA       SER  39  21.342  16.284   3.960
  301    HB2  SER  39           HB2      SER  39  20.067  18.315   4.897
  302    HB3  SER  39           HB3      SER  39  19.685  16.713   5.539
  303    HG   SER  39           HG       SER  39  19.933  18.330   7.172
  304    H    SER  40           H        SER  40  21.379  18.294   2.654
  305    HA   SER  40           HA       SER  40  23.131  20.479   3.295
  306    HB2  SER  40           HB2      SER  40  23.792  18.694   0.899
  307    HB3  SER  40           HB3      SER  40  24.481  20.292   1.197
  308    HG   SER  40           HG       SER  40  24.655  18.565   3.327
  309    H    ARG  41           H        ARG  41  22.839  22.154   1.463
  310    HA   ARG  41           HA       ARG  41  20.168  22.661   0.928
  311    HB2  ARG  41           HB2      ARG  41  20.993  24.462  -0.445
  312    HB3  ARG  41           HB3      ARG  41  22.151  24.249   0.865
  313    HG2  ARG  41           HG2      ARG  41  23.435  22.718  -0.877
  314    HG3  ARG  41           HG3      ARG  41  22.413  23.532  -2.070
  315    HD2  ARG  41           HD2      ARG  41  23.313  25.727  -0.966
  316    HD3  ARG  41           HD3      ARG  41  24.576  24.696  -0.287
  317    HE   ARG  41           HE       ARG  41  24.455  25.786  -2.872
  318   HH11  ARG  41          HH11      ARG  41  25.348  22.619  -1.491
  319   HH12  ARG  41          HH12      ARG  41  26.230  22.103  -2.895
  320   HH21  ARG  41          HH21      ARG  41  25.667  25.130  -4.671
  321   HH22  ARG  41          HH22      ARG  41  26.257  23.511  -4.787
  322    H    VAL  42           H        VAL  42  18.775  22.312  -0.894
  323    HA   VAL  42           HA       VAL  42  19.455  20.123  -2.692
  324    HB   VAL  42           HB       VAL  42  17.305  22.248  -3.100
  325   HG11  VAL  42          HG11      VAL  42  16.346  20.539  -4.667
  326   HG12  VAL  42          HG12      VAL  42  17.937  21.098  -5.204
  327   HG13  VAL  42          HG13      VAL  42  17.786  19.525  -4.427
  328   HG21  VAL  42          HG21      VAL  42  15.771  20.409  -2.303
  329   HG22  VAL  42          HG22      VAL  42  17.211  19.498  -1.791
  330   HG23  VAL  42          HG23      VAL  42  16.835  21.060  -1.044
  331    H    HIS  43           H        HIS  43  20.625  20.239  -4.592
  332    HA   HIS  43           HA       HIS  43  22.215  22.566  -4.908
  333    HB2  HIS  43           HB2      HIS  43  22.654  19.997  -5.363
  334    HB3  HIS  43           HB3      HIS  43  22.005  20.348  -6.960
  335    HD1  HIS  43           HD1      HIS  43  23.698  21.776  -8.556
  336    HD2  HIS  43           HD2      HIS  43  24.867  21.312  -4.557
  337    HE1  HIS  43           HE1      HIS  43  26.050  22.733  -8.387
  338    HA   PRO  44           HA       PRO  44  19.376  24.675  -7.492
  339    HB2  PRO  44           HB2      PRO  44  20.883  26.647  -8.686
  340    HB3  PRO  44           HB3      PRO  44  20.503  26.628  -6.937
  341    HG2  PRO  44           HG2      PRO  44  23.040  25.702  -8.305
  342    HG3  PRO  44           HG3      PRO  44  22.873  26.692  -6.824
  343    HD2  PRO  44           HD2      PRO  44  23.327  23.977  -6.798
  344    HD3  PRO  44           HD3      PRO  44  22.398  24.806  -5.508
  345    H    THR  45           H        THR  45  22.406  23.818  -9.313
  346    HA   THR  45           HA       THR  45  21.123  23.891 -11.783
  347    HB   THR  45           HB       THR  45  23.452  22.157 -10.862
  348    HG1  THR  45           HG1      THR  45  24.744  23.973 -11.234
  349   HG21  THR  45          HG21      THR  45  24.448  22.549 -13.076
  350   HG22  THR  45          HG22      THR  45  22.930  21.665 -13.178
  351   HG23  THR  45          HG23      THR  45  22.956  23.398 -13.593
  352    H    ALA  46           H        ALA  46  20.753  21.532  -9.292
  353    HA   ALA  46           HA       ALA  46  19.994  19.207 -10.782
  354    HB1  ALA  46           HB1      ALA  46  20.313  19.546  -8.213
  355    HB2  ALA  46           HB2      ALA  46  18.634  20.230  -8.262
  356    HB3  ALA  46           HB3      ALA  46  18.943  18.551  -8.747
  357    H    ILE  47           H        ILE  47  18.300  22.243  -9.814
  358    HA   ILE  47           HA       ILE  47  15.706  21.468 -10.404
  359    HB   ILE  47           HB       ILE  47  17.072  24.178 -10.642
  360   HG12  ILE  47          HG12      ILE  47  15.536  23.222  -8.197
  361   HG13  ILE  47          HG13      ILE  47  17.265  22.972  -8.330
  362   HG21  ILE  47          HG21      ILE  47  14.156  23.483 -10.265
  363   HG22  ILE  47          HG22      ILE  47  14.827  25.133 -10.249
  364   HG23  ILE  47          HG23      ILE  47  14.897  24.173 -11.720
  365   HD11  ILE  47          HD11      ILE  47  16.862  24.984  -7.073
  366   HD12  ILE  47          HD12      ILE  47  17.654  25.384  -8.630
  367   HD13  ILE  47          HD13      ILE  47  15.934  25.702  -8.395
  368    H    ALA  48           H        ALA  48  18.320  22.937 -12.363
  369    HA   ALA  48           HA       ALA  48  16.840  23.398 -14.678
  370    HB1  ALA  48           HB1      ALA  48  19.002  23.656 -15.796
  371    HB2  ALA  48           HB2      ALA  48  19.042  24.429 -14.195
  372    HB3  ALA  48           HB3      ALA  48  19.825  22.848 -14.448
  373    H    MET  49           H        MET  49  18.703  20.537 -13.696
  374    HA   MET  49           HA       MET  49  18.524  19.060 -16.132
  375    HB2  MET  49           HB2      MET  49  18.760  18.267 -13.196
  376    HB3  MET  49           HB3      MET  49  18.574  17.040 -14.429
  377    HG2  MET  49           HG2      MET  49  20.790  19.084 -14.289
  378    HG3  MET  49           HG3      MET  49  20.881  17.357 -13.909
  379    HE1  MET  49           HE1      MET  49  21.284  19.371 -17.950
  380    HE2  MET  49           HE2      MET  49  20.918  20.123 -16.383
  381    HE3  MET  49           HE3      MET  49  22.508  19.347 -16.669
  382    H    MET  50           H        MET  50  16.375  19.176 -13.328
  383    HA   MET  50           HA       MET  50  14.542  17.210 -14.396
  384    HB2  MET  50           HB2      MET  50  14.311  19.193 -12.083
  385    HB3  MET  50           HB3      MET  50  13.149  17.915 -12.460
  386    HG2  MET  50           HG2      MET  50  15.520  16.489 -12.521
  387    HG3  MET  50           HG3      MET  50  15.924  17.715 -11.356
  388    HE1  MET  50           HE1      MET  50  12.138  15.257 -11.161
  389    HE2  MET  50           HE2      MET  50  13.127  15.624 -12.591
  390    HE3  MET  50           HE3      MET  50  13.510  14.214 -11.576
  391    H    GLU  51           H        GLU  51  14.736  20.795 -14.390
  392    HA   GLU  51           HA       GLU  51  12.260  21.228 -15.707
  393    HB2  GLU  51           HB2      GLU  51  14.871  22.720 -15.488
  394    HB3  GLU  51           HB3      GLU  51  13.617  23.346 -16.538
  395    HG2  GLU  51           HG2      GLU  51  13.145  22.720 -13.588
  396    HG3  GLU  51           HG3      GLU  51  13.701  24.282 -14.177
  397    H    GLU  52           H        GLU  52  15.406  20.145 -16.995
  398    HA   GLU  52           HA       GLU  52  14.709  20.530 -19.726
  399    HB2  GLU  52           HB2      GLU  52  16.404  18.241 -18.712
  400    HB3  GLU  52           HB3      GLU  52  16.353  18.897 -20.336
  401    HG2  GLU  52           HG2      GLU  52  17.109  21.146 -19.028
  402    HG3  GLU  52           HG3      GLU  52  17.757  19.928 -17.920
  403    H    VAL  53           H        VAL  53  14.051  17.913 -17.402
  404    HA   VAL  53           HA       VAL  53  12.746  16.272 -19.477
  405    HB   VAL  53           HB       VAL  53  12.896  15.934 -16.464
  406   HG11  VAL  53          HG11      VAL  53  12.324  13.548 -16.912
  407   HG12  VAL  53          HG12      VAL  53  10.998  14.627 -17.339
  408   HG13  VAL  53          HG13      VAL  53  12.027  13.949 -18.618
  409   HG21  VAL  53          HG21      VAL  53  15.115  15.810 -17.499
  410   HG22  VAL  53          HG22      VAL  53  14.596  14.163 -17.109
  411   HG23  VAL  53          HG23      VAL  53  14.505  14.743 -18.777
  412    H    GLY  54           H        GLY  54  11.775  18.790 -17.254
  413    HA2  GLY  54           HA2      GLY  54   9.766  20.038 -17.706
  414    HA3  GLY  54           HA3      GLY  54   8.935  18.551 -18.179
  415    H    ILE  55           H        ILE  55  11.079  18.702 -15.380
  416    HA   ILE  55           HA       ILE  55   8.773  18.573 -13.481
  417    HB   ILE  55           HB       ILE  55  11.306  16.905 -13.398
  418   HG12  ILE  55          HG12      ILE  55   8.585  15.636 -13.794
  419   HG13  ILE  55          HG13      ILE  55   9.418  16.262 -15.203
  420   HG21  ILE  55          HG21      ILE  55   9.903  15.560 -11.660
  421   HG22  ILE  55          HG22      ILE  55  10.573  17.082 -11.126
  422   HG23  ILE  55          HG23      ILE  55   8.852  16.969 -11.592
  423   HD11  ILE  55          HD11      ILE  55  10.608  14.214 -13.321
  424   HD12  ILE  55          HD12      ILE  55   9.987  13.946 -14.964
  425   HD13  ILE  55          HD13      ILE  55  11.412  14.976 -14.717
  426    H    ASP  56           H        ASP  56  10.081  18.858 -11.090
  427    HA   ASP  56           HA       ASP  56  12.034  21.065 -11.276
  428    HB2  ASP  56           HB2      ASP  56   9.957  22.289 -11.414
  429    HB3  ASP  56           HB3      ASP  56   9.206  21.277 -10.170
  430    H    ILE  57           H        ILE  57  13.023  21.460  -9.241
  431    HA   ILE  57           HA       ILE  57  12.258  19.750  -6.978
  432    HB   ILE  57           HB       ILE  57  15.121  20.286  -7.012
  433   HG12  ILE  57          HG12      ILE  57  14.122  18.242  -9.000
  434   HG13  ILE  57          HG13      ILE  57  15.001  19.709  -9.407
  435   HG21  ILE  57          HG21      ILE  57  13.971  18.993  -5.309
  436   HG22  ILE  57          HG22      ILE  57  13.438  17.799  -6.535
  437   HG23  ILE  57          HG23      ILE  57  15.142  17.979  -6.089
  438   HD11  ILE  57          HD11      ILE  57  16.811  18.822  -7.730
  439   HD12  ILE  57          HD12      ILE  57  16.032  17.253  -8.015
  440   HD13  ILE  57          HD13      ILE  57  16.711  18.158  -9.381
  441    H    SER  58           H        SER  58  13.136  22.897  -8.145
  442    HA   SER  58           HA       SER  58  14.112  24.160  -5.870
  443    HB2  SER  58           HB2      SER  58  13.217  26.214  -6.779
  444    HB3  SER  58           HB3      SER  58  13.907  25.211  -8.060
  445    HG   SER  58           HG       SER  58  11.835  24.567  -8.658
  446    H    GLY  59           H        GLY  59  10.767  23.115  -6.530
  447    HA2  GLY  59           HA2      GLY  59   9.525  24.575  -4.405
  448    HA3  GLY  59           HA3      GLY  59   8.832  23.271  -5.374
  449    H    GLN  60           H        GLN  60  11.518  21.770  -4.141
  450    HA   GLN  60           HA       GLN  60  10.273  21.086  -1.570
  451    HB2  GLN  60           HB2      GLN  60  10.696  18.765  -1.935
  452    HB3  GLN  60           HB3      GLN  60   9.778  19.411  -3.306
  453    HG2  GLN  60           HG2      GLN  60  11.747  19.397  -4.722
  454    HG3  GLN  60           HG3      GLN  60  12.780  18.950  -3.362
  455   HE21  GLN  60          HE22      GLN  60  13.547  16.985  -4.046
  456   HE22  GLN  60          HE21      GLN  60  12.526  15.613  -4.433
  457    H    THR  61           H        THR  61  11.877  19.957  -0.089
  458    HA   THR  61           HA       THR  61  14.532  21.275  -0.286
  459    HB   THR  61           HB       THR  61  14.248  21.550   2.208
  460    HG1  THR  61           HG1      THR  61  12.579  20.174   2.708
  461   HG21  THR  61          HG21      THR  61  12.139  22.898   0.476
  462   HG22  THR  61          HG22      THR  61  12.804  23.506   2.013
  463   HG23  THR  61          HG23      THR  61  13.852  23.378   0.588
  464    H    SER  62           H        SER  62  16.071  20.392   1.417
  465    HA   SER  62           HA       SER  62  16.316  17.485   1.124
  466    HB2  SER  62           HB2      SER  62  18.558  18.106   2.262
  467    HB3  SER  62           HB3      SER  62  18.273  18.642   0.602
  468    HG   SER  62           HG       SER  62  19.127  20.250   1.837
  469    H    ASP  63           H        ASP  63  17.011  16.221   3.006
  470    HA   ASP  63           HA       ASP  63  16.146  17.132   5.656
  471    HB2  ASP  63           HB2      ASP  63  14.086  16.238   4.152
  472    HB3  ASP  63           HB3      ASP  63  14.721  14.672   4.638
  473    HA   PRO  64           HA       PRO  64  19.298  14.030   6.326
  474    HB2  PRO  64           HB2      PRO  64  19.383  13.818   9.025
  475    HB3  PRO  64           HB3      PRO  64  19.808  15.341   8.191
  476    HG2  PRO  64           HG2      PRO  64  17.171  14.600   9.494
  477    HG3  PRO  64           HG3      PRO  64  18.108  16.115   9.679
  478    HD2  PRO  64           HD2      PRO  64  16.002  15.827   7.926
  479    HD3  PRO  64           HD3      PRO  64  17.379  16.928   7.608
  480    H    ILE  65           H        ILE  65  19.590  11.811   6.742
  481    HA   ILE  65           HA       ILE  65  17.436  10.019   6.530
  482    HB   ILE  65           HB       ILE  65  19.757   9.560   5.985
  483   HG12  ILE  65          HG12      ILE  65  18.476   7.525   7.848
  484   HG13  ILE  65          HG13      ILE  65  18.006   7.849   6.171
  485   HG21  ILE  65          HG21      ILE  65  20.251   9.068   8.960
  486   HG22  ILE  65          HG22      ILE  65  21.393   8.826   7.634
  487   HG23  ILE  65          HG23      ILE  65  20.886  10.459   8.049
  488   HD11  ILE  65          HD11      ILE  65  19.430   6.029   5.947
  489   HD12  ILE  65          HD12      ILE  65  20.491   7.406   5.608
  490   HD13  ILE  65          HD13      ILE  65  20.558   6.612   7.197
  491    H    GLU  66           H        GLU  66  18.974  11.387   9.376
  492    HA   GLU  66           HA       GLU  66  18.137   9.754  11.408
  493    HB2  GLU  66           HB2      GLU  66  18.333  12.788  11.604
  494    HB3  GLU  66           HB3      GLU  66  18.641  11.595  12.868
  495    HG2  GLU  66           HG2      GLU  66  20.585  10.762  11.370
  496    HG3  GLU  66           HG3      GLU  66  20.363  12.242  10.428
  497    H    ASN  67           H        ASN  67  16.125  11.952   9.573
  498    HA   ASN  67           HA       ASN  67  14.124  12.285  11.680
  499    HB2  ASN  67           HB2      ASN  67  14.818  14.083  10.050
  500    HB3  ASN  67           HB3      ASN  67  14.081  13.121   8.766
  501   HD21  ASN  67          HD22      ASN  67  12.548  14.688   8.256
  502   HD22  ASN  67          HD21      ASN  67  11.191  15.096   9.312
  503    H    PHE  68           H        PHE  68  14.758   9.698   9.504
  504    HA   PHE  68           HA       PHE  68  11.888   8.918   9.456
  505    HB2  PHE  68           HB2      PHE  68  14.093   8.272   7.479
  506    HB3  PHE  68           HB3      PHE  68  12.390   7.807   7.383
  507    HD1  PHE  68           HD2      PHE  68  10.688   9.407   6.675
  508    HD2  PHE  68           HD1      PHE  68  14.851  10.513   6.898
  509    HE1  PHE  68           HE2      PHE  68  10.211  11.488   5.395
  510    HE2  PHE  68           HE1      PHE  68  14.384  12.552   5.581
  511    HZ   PHE  68           HZ       PHE  68  12.063  13.058   4.836
  512    H    ASN  69           H        ASN  69  12.038   6.432   8.725
  513    HA   ASN  69           HA       ASN  69  13.990   4.867  10.261
  514    HB2  ASN  69           HB2      ASN  69  11.965   3.390  10.976
  515    HB3  ASN  69           HB3      ASN  69  12.396   4.802  11.931
  516   HD21  ASN  69          HD22      ASN  69  10.470   4.789   8.847
  517   HD22  ASN  69          HD21      ASN  69   9.025   5.433   9.607
  518    H    ALA  70           H        ALA  70  14.696   3.352   8.935
  519    HA   ALA  70           HA       ALA  70  13.937   3.018   6.316
  520    HB1  ALA  70           HB1      ALA  70  15.396   1.092   6.265
  521    HB2  ALA  70           HB2      ALA  70  16.098   2.222   7.439
  522    HB3  ALA  70           HB3      ALA  70  15.192   0.808   8.001
  523    H    ASP  71           H        ASP  71  12.522   1.424   9.114
  524    HA   ASP  71           HA       ASP  71  11.430  -0.868   7.928
  525    HB2  ASP  71           HB2      ASP  71  11.545  -0.476  10.346
  526    HB3  ASP  71           HB3      ASP  71  10.385   0.849  10.209
  527    H    ASP  72           H        ASP  72  10.451   2.474   7.508
  528    HA   ASP  72           HA       ASP  72   7.721   1.804   6.738
  529    HB2  ASP  72           HB2      ASP  72   8.269   3.857   8.003
  530    HB3  ASP  72           HB3      ASP  72   9.231   4.437   6.635
  531    H    TYR  73           H        TYR  73  10.824   1.805   5.238
  532    HA   TYR  73           HA       TYR  73   9.763   2.443   2.609
  533    HB2  TYR  73           HB2      TYR  73  12.554   2.628   3.751
  534    HB3  TYR  73           HB3      TYR  73  12.161   2.867   2.050
  535    HD1  TYR  73           HD2      TYR  73  10.733   4.763   1.318
  536    HD2  TYR  73           HD1      TYR  73  12.023   4.373   5.408
  537    HE1  TYR  73           HE2      TYR  73  10.072   7.099   1.732
  538    HE2  TYR  73           HE1      TYR  73  11.449   6.758   5.838
  539    HH   TYR  73           HH       TYR  73   9.985   8.812   3.224
  540    H    ASP  74           H        ASP  74   9.615   0.850   1.129
  541    HA   ASP  74           HA       ASP  74  10.299  -1.893   1.977
  542    HB2  ASP  74           HB2      ASP  74   8.130  -1.272   0.774
  543    HB3  ASP  74           HB3      ASP  74   9.108  -0.962  -0.655
  544    H    VAL  75           H        VAL  75  11.391   0.679  -0.170
  545    HA   VAL  75           HA       VAL  75  13.675  -1.030  -1.041
  546    HB   VAL  75           HB       VAL  75  12.578  -1.161  -2.947
  547   HG11  VAL  75          HG11      VAL  75  10.463  -0.353  -2.456
  548   HG12  VAL  75          HG12      VAL  75  11.003   1.327  -2.562
  549   HG13  VAL  75          HG13      VAL  75  10.967   0.299  -4.008
  550   HG21  VAL  75          HG21      VAL  75  14.602   0.173  -3.449
  551   HG22  VAL  75          HG22      VAL  75  13.325   0.260  -4.658
  552   HG23  VAL  75          HG23      VAL  75  13.564   1.616  -3.526
  553    H    VAL  76           H        VAL  76  15.630  -0.200  -0.715
  554    HA   VAL  76           HA       VAL  76  15.826   2.705  -0.173
  555    HB   VAL  76           HB       VAL  76  17.605   1.890   1.447
  556   HG11  VAL  76          HG11      VAL  76  15.465   2.900   2.099
  557   HG12  VAL  76          HG12      VAL  76  14.668   1.318   2.037
  558   HG13  VAL  76          HG13      VAL  76  15.932   1.630   3.246
  559   HG21  VAL  76          HG21      VAL  76  17.234  -0.306   2.513
  560   HG22  VAL  76          HG22      VAL  76  16.007  -0.694   1.312
  561   HG23  VAL  76          HG23      VAL  76  17.691  -0.508   0.811
  562    H    ILE  77           H        ILE  77  16.939   3.700  -1.581
  563    HA   ILE  77           HA       ILE  77  19.056   2.329  -3.138
  564    HB   ILE  77           HB       ILE  77  17.289   4.722  -3.742
  565   HG12  ILE  77          HG12      ILE  77  15.997   2.711  -3.988
  566   HG13  ILE  77          HG13      ILE  77  16.393   3.347  -5.576
  567   HG21  ILE  77          HG21      ILE  77  19.528   3.477  -5.380
  568   HG22  ILE  77          HG22      ILE  77  18.353   4.679  -5.981
  569   HG23  ILE  77          HG23      ILE  77  19.481   5.113  -4.714
  570   HD11  ILE  77          HD11      ILE  77  17.823   1.001  -4.246
  571   HD12  ILE  77          HD12      ILE  77  16.575   0.889  -5.504
  572   HD13  ILE  77          HD13      ILE  77  18.136   1.643  -5.872
  573    H    SER  78           H        SER  78  20.887   2.652  -2.171
  574    HA   SER  78           HA       SER  78  21.559   5.186  -0.836
  575    HB2  SER  78           HB2      SER  78  22.440   3.047  -0.026
  576    HB3  SER  78           HB3      SER  78  23.162   2.765  -1.632
  577    HG   SER  78           HG       SER  78  24.686   4.118  -1.254
  578    H    LEU  79           H        LEU  79  23.129   6.544  -1.799
  579    HA   LEU  79           HA       LEU  79  24.294   6.006  -4.375
  580    HB2  LEU  79           HB2      LEU  79  23.310   8.591  -4.921
  581    HB3  LEU  79           HB3      LEU  79  23.000   7.110  -5.725
  582    HG   LEU  79           HG       LEU  79  20.998   6.798  -3.995
  583   HD11  LEU  79          HD11      LEU  79  20.171   8.850  -3.083
  584   HD12  LEU  79          HD12      LEU  79  21.873   8.693  -2.633
  585   HD13  LEU  79          HD13      LEU  79  21.412   9.802  -3.927
  586   HD21  LEU  79          HD21      LEU  79  19.521   8.147  -5.450
  587   HD22  LEU  79          HD22      LEU  79  20.941   8.891  -6.219
  588   HD23  LEU  79          HD23      LEU  79  20.644   7.148  -6.376
  589    H    CYS  80           H        CYS  80  25.487   5.858  -2.148
  590    HA   CYS  80           HA       CYS  80  26.529   8.353  -1.071
  591    HB2  CYS  80           HB2      CYS  80  27.457   5.458  -0.835
  592    HB3  CYS  80           HB3      CYS  80  28.224   6.838  -0.014
  593    HG   CYS  80           HG       CYS  80  25.157   5.621   0.252
  594    H    GLY  81           H        GLY  81  27.229   6.383  -3.855
  595    HA2  GLY  81           HA2      GLY  81  28.205   7.275  -5.786
  596    HA3  GLY  81           HA3      GLY  81  28.989   8.540  -4.843
  597    H    CYS  82           H        CYS  82  30.608   7.567  -3.121
  598    HA   CYS  82           HA       CYS  82  32.632   6.273  -4.670
  599    HB2  CYS  82           HB2      CYS  82  32.631   6.956  -1.687
  600    HB3  CYS  82           HB3      CYS  82  34.053   6.696  -2.705
  601    HG   CYS  82           HG       CYS  82  33.612   8.684  -4.349
  602    H    GLY  83           H        GLY  83  30.316   4.582  -4.072
  603    HA2  GLY  83           HA2      GLY  83  29.773   2.449  -3.608
  604    HA3  GLY  83           HA3      GLY  83  31.510   2.059  -3.652
  605    H    VAL  84           H        VAL  84  30.405   4.381  -1.325
  606    HA   VAL  84           HA       VAL  84  30.920   2.692   0.968
  607    HB   VAL  84           HB       VAL  84  29.997   5.526   0.653
  608   HG11  VAL  84          HG11      VAL  84  30.595   5.825   3.080
  609   HG12  VAL  84          HG12      VAL  84  29.170   4.828   2.828
  610   HG13  VAL  84          HG13      VAL  84  30.734   4.064   3.221
  611   HG21  VAL  84          HG21      VAL  84  32.342   5.179  -0.047
  612   HG22  VAL  84          HG22      VAL  84  32.287   6.100   1.455
  613   HG23  VAL  84          HG23      VAL  84  32.688   4.373   1.493
  614    H    ASN  85           H        ASN  85  29.128   2.539   2.632
  615    HA   ASN  85           HA       ASN  85  26.463   2.099   1.405
  616    HB2  ASN  85           HB2      ASN  85  28.164   0.019   1.459
  617    HB3  ASN  85           HB3      ASN  85  27.641  -0.075   3.137
  618   HD21  ASN  85          HD22      ASN  85  27.064  -1.492   0.280
  619   HD22  ASN  85          HD21      ASN  85  25.334  -1.751   0.384
  620    H    LEU  86           H        LEU  86  24.935   1.395   3.191
  621    HA   LEU  86           HA       LEU  86  25.029   3.525   5.240
  622    HB2  LEU  86           HB2      LEU  86  22.772   1.675   4.398
  623    HB3  LEU  86           HB3      LEU  86  22.647   3.150   5.358
  624    HG   LEU  86           HG       LEU  86  23.365   2.920   2.396
  625   HD11  LEU  86          HD11      LEU  86  21.238   4.011   1.992
  626   HD12  LEU  86          HD12      LEU  86  20.991   2.538   2.930
  627   HD13  LEU  86          HD13      LEU  86  20.919   4.118   3.739
  628   HD21  LEU  86          HD21      LEU  86  23.092   5.449   4.075
  629   HD22  LEU  86          HD22      LEU  86  24.591   4.828   3.330
  630   HD23  LEU  86          HD23      LEU  86  23.270   5.379   2.305
  631    HA   PRO  87           HA       PRO  87  26.029   0.044   8.021
  632    HB2  PRO  87           HB2      PRO  87  26.245   1.588  10.351
  633    HB3  PRO  87           HB3      PRO  87  27.559   1.110   9.241
  634    HG2  PRO  87           HG2      PRO  87  26.108   3.728   9.413
  635    HG3  PRO  87           HG3      PRO  87  27.808   3.411   8.985
  636    HD2  PRO  87           HD2      PRO  87  25.839   3.973   7.137
  637    HD3  PRO  87           HD3      PRO  87  27.282   2.984   6.771
  638    HA   PRO  88           HA       PRO  88  22.136   0.800  10.632
  639    HB2  PRO  88           HB2      PRO  88  20.244   2.670   9.998
  640    HB3  PRO  88           HB3      PRO  88  21.696   3.039  10.961
  641    HG2  PRO  88           HG2      PRO  88  21.368   3.433   7.952
  642    HG3  PRO  88           HG3      PRO  88  21.887   4.636   9.179
  643    HD2  PRO  88           HD2      PRO  88  23.583   3.239   7.685
  644    HD3  PRO  88           HD3      PRO  88  23.944   3.567   9.415
  645    H    GLU  89           H        GLU  89  19.667   0.463  10.292
  646    HA   GLU  89           HA       GLU  89  19.257  -1.807   8.796
  647    HB2  GLU  89           HB2      GLU  89  16.835  -1.364   9.262
  648    HB3  GLU  89           HB3      GLU  89  17.899  -1.400  10.662
  649    HG2  GLU  89           HG2      GLU  89  17.310   1.292   9.445
  650    HG3  GLU  89           HG3      GLU  89  15.982   0.460  10.242
  651    H    TRP  90           H        TRP  90  19.286   1.243   7.493
  652    HA   TRP  90           HA       TRP  90  17.547   0.989   5.241
  653    HB2  TRP  90           HB2      TRP  90  20.074   2.637   5.582
  654    HB3  TRP  90           HB3      TRP  90  18.843   2.867   4.343
  655    HD1  TRP  90           HD1      TRP  90  19.357   3.324   8.108
  656    HE1  TRP  90           HE1      TRP  90  17.834   5.106   8.980
  657    HE3  TRP  90           HE3      TRP  90  16.436   3.812   3.979
  658    HZ2  TRP  90           HZ2      TRP  90  15.366   6.417   8.080
  659    HZ3  TRP  90           HZ3      TRP  90  14.356   5.163   4.084
  660    HH2  TRP  90           HH2      TRP  90  13.833   6.485   6.094
  661    H    VAL  91           H        VAL  91  20.065  -1.018   6.002
  662    HA   VAL  91           HA       VAL  91  20.524  -1.627   3.157
  663    HB   VAL  91           HB       VAL  91  22.476  -0.814   4.507
  664   HG11  VAL  91          HG11      VAL  91  23.636  -2.266   6.026
  665   HG12  VAL  91          HG12      VAL  91  21.977  -2.130   6.612
  666   HG13  VAL  91          HG13      VAL  91  22.497  -3.593   5.746
  667   HG21  VAL  91          HG21      VAL  91  22.781  -1.993   2.387
  668   HG22  VAL  91          HG22      VAL  91  24.086  -2.332   3.533
  669   HG23  VAL  91          HG23      VAL  91  22.836  -3.551   3.241
  670    H    THR  92           H        THR  92  18.588  -2.598   5.667
  671    HA   THR  92           HA       THR  92  18.687  -5.438   4.847
  672    HB   THR  92           HB       THR  92  18.103  -5.933   7.264
  673    HG1  THR  92           HG1      THR  92  17.431  -3.939   7.980
  674   HG21  THR  92          HG21      THR  92  20.343  -5.762   8.109
  675   HG22  THR  92          HG22      THR  92  20.456  -6.107   6.374
  676   HG23  THR  92          HG23      THR  92  20.745  -4.458   6.979
  677    H    GLN  93           H        GLN  93  17.030  -3.304   3.785
  678    HA   GLN  93           HA       GLN  93  14.306  -4.280   4.513
  679    HB2  GLN  93           HB2      GLN  93  14.984  -2.047   2.592
  680    HB3  GLN  93           HB3      GLN  93  13.405  -2.473   3.235
  681    HG2  GLN  93           HG2      GLN  93  15.719  -1.207   4.733
  682    HG3  GLN  93           HG3      GLN  93  14.165  -0.486   4.358
  683   HE21  GLN  93          HE22      GLN  93  15.870  -1.688   6.883
  684   HE22  GLN  93          HE21      GLN  93  14.568  -2.325   7.874
  685    H    GLU  94           H        GLU  94  12.993  -4.269   2.149
  686    HA   GLU  94           HA       GLU  94  13.793  -6.806   1.203
  687    HB2  GLU  94           HB2      GLU  94  11.734  -4.830   0.161
  688    HB3  GLU  94           HB3      GLU  94  11.889  -6.483  -0.430
  689    HG2  GLU  94           HG2      GLU  94  11.203  -5.674   2.428
  690    HG3  GLU  94           HG3      GLU  94  10.082  -6.285   1.217
  691    H    ILE  95           H        ILE  95  14.370  -3.589  -0.199
  692    HA   ILE  95           HA       ILE  95  15.945  -4.899  -2.398
  693    HB   ILE  95           HB       ILE  95  13.931  -2.683  -2.515
  694   HG12  ILE  95          HG12      ILE  95  14.192  -5.450  -3.747
  695   HG13  ILE  95          HG13      ILE  95  12.903  -4.819  -2.714
  696   HG21  ILE  95          HG21      ILE  95  15.901  -3.503  -4.714
  697   HG22  ILE  95          HG22      ILE  95  14.617  -2.281  -4.866
  698   HG23  ILE  95          HG23      ILE  95  15.969  -1.977  -3.804
  699   HD11  ILE  95          HD11      ILE  95  12.053  -4.983  -4.928
  700   HD12  ILE  95          HD12      ILE  95  12.296  -3.248  -4.587
  701   HD13  ILE  95          HD13      ILE  95  13.461  -4.144  -5.602
  702    H    PHE  96           H        PHE  96  18.033  -3.993  -2.531
  703    HA   PHE  96           HA       PHE  96  18.499  -1.354  -1.461
  704    HB2  PHE  96           HB2      PHE  96  19.137  -2.714   0.452
  705    HB3  PHE  96           HB3      PHE  96  20.106  -3.771  -0.580
  706    HD1  PHE  96           HD1      PHE  96  19.886  -0.395   0.948
  707    HD2  PHE  96           HD2      PHE  96  22.273  -2.994  -1.533
  708    HE1  PHE  96           HE1      PHE  96  21.738   1.232   1.022
  709    HE2  PHE  96           HE2      PHE  96  24.074  -1.281  -1.580
  710    HZ   PHE  96           HZ       PHE  96  23.835   0.803  -0.249
  711    H    GLU  97           H        GLU  97  19.914  -0.265  -2.728
  712    HA   GLU  97           HA       GLU  97  21.944  -1.662  -4.315
  713    HB2  GLU  97           HB2      GLU  97  19.792   0.113  -5.542
  714    HB3  GLU  97           HB3      GLU  97  21.398  -0.027  -6.257
  715    HG2  GLU  97           HG2      GLU  97  21.144  -2.453  -6.443
  716    HG3  GLU  97           HG3      GLU  97  19.468  -2.327  -5.860
  717    H    ASP  98           H        ASP  98  23.599  -0.130  -4.938
  718    HA   ASP  98           HA       ASP  98  23.433   2.553  -3.743
  719    HB2  ASP  98           HB2      ASP  98  25.091   1.362  -2.390
  720    HB3  ASP  98           HB3      ASP  98  26.017   0.988  -3.858
  721    H    TRP  99           H        TRP  99  23.243   3.967  -5.362
  722    HA   TRP  99           HA       TRP  99  24.154   3.248  -8.072
  723    HB2  TRP  99           HB2      TRP  99  22.562   5.631  -7.102
  724    HB3  TRP  99           HB3      TRP  99  22.938   5.251  -8.756
  725    HD1  TRP  99           HD1      TRP  99  22.052   1.966  -7.373
  726    HE1  TRP  99           HE1      TRP  99  19.637   1.361  -7.886
  727    HE3  TRP  99           HE3      TRP  99  20.362   6.626  -8.619
  728    HZ2  TRP  99           HZ2      TRP  99  17.136   2.824  -8.437
  729    HZ3  TRP  99           HZ3      TRP  99  17.955   7.007  -9.057
  730    HH2  TRP  99           HH2      TRP  99  16.364   5.131  -8.938
  731    H    GLN 100           H        GLN 100  26.303   3.322  -8.107
  732    HA   GLN 100           HA       GLN 100  27.939   5.492  -7.200
  733    HB2  GLN 100           HB2      GLN 100  28.748   3.231  -7.701
  734    HB3  GLN 100           HB3      GLN 100  28.350   3.415  -9.407
  735    HG2  GLN 100           HG2      GLN 100  30.162   4.789  -9.836
  736    HG3  GLN 100           HG3      GLN 100  30.157   5.507  -8.228
  737   HE21  GLN 100          HE22      GLN 100  30.861   4.139  -6.391
  738   HE22  GLN 100          HE21      GLN 100  32.062   2.878  -6.647
  739    H    LEU 101           H        LEU 101  27.933   7.537  -8.017
  740    HA   LEU 101           HA       LEU 101  27.056   8.167 -10.765
  741    HB2  LEU 101           HB2      LEU 101  25.677   8.950  -8.157
  742    HB3  LEU 101           HB3      LEU 101  25.482   9.891  -9.634
  743    HG   LEU 101           HG       LEU 101  24.655   6.965  -9.368
  744   HD11  LEU 101          HD11      LEU 101  22.374   7.860  -9.230
  745   HD12  LEU 101          HD12      LEU 101  23.372   8.345  -7.857
  746   HD13  LEU 101          HD13      LEU 101  23.037   9.516  -9.146
  747   HD21  LEU 101          HD21      LEU 101  24.128   8.973 -11.575
  748   HD22  LEU 101          HD22      LEU 101  25.096   7.493 -11.677
  749   HD23  LEU 101          HD23      LEU 101  23.355   7.384 -11.402
  750    H    GLU 102           H        GLU 102  27.774  10.222 -11.362
  751    HA   GLU 102           HA       GLU 102  30.050  11.164  -9.932
  752    HB2  GLU 102           HB2      GLU 102  28.835  12.052 -12.595
  753    HB3  GLU 102           HB3      GLU 102  30.384  12.582 -11.953
  754    HG2  GLU 102           HG2      GLU 102  30.920  10.908 -13.484
  755    HG3  GLU 102           HG3      GLU 102  31.151  10.215 -11.879
  756    H    ASP 103           H        ASP 103  28.504  11.600  -8.200
  757    HA   ASP 103           HA       ASP 103  27.025  13.225  -7.142
  758    HB2  ASP 103           HB2      ASP 103  28.770  12.461  -5.818
  759    HB3  ASP 103           HB3      ASP 103  29.990  13.450  -6.647
  760    HA   PRO 104           HA       PRO 104  27.331  16.633 -10.108
  761    HB2  PRO 104           HB2      PRO 104  24.529  17.152  -9.211
  762    HB3  PRO 104           HB3      PRO 104  25.257  17.185 -10.863
  763    HG2  PRO 104           HG2      PRO 104  23.855  15.022 -10.025
  764    HG3  PRO 104           HG3      PRO 104  25.352  14.872 -11.003
  765    HD2  PRO 104           HD2      PRO 104  24.982  14.449  -8.050
  766    HD3  PRO 104           HD3      PRO 104  26.005  13.546  -9.214
  767    H    ASP 105           H        ASP 105  27.064  17.012  -6.699
  768    HA   ASP 105           HA       ASP 105  26.626  19.781  -6.458
  769    HB2  ASP 105           HB2      ASP 105  26.624  18.346  -4.538
  770    HB3  ASP 105           HB3      ASP 105  28.329  17.943  -4.762
  771    H    GLY 106           H        GLY 106  27.537  21.036  -7.915
  772    HA2  GLY 106           HA2      GLY 106  29.042  22.808  -8.153
  773    HA3  GLY 106           HA3      GLY 106  30.327  21.848  -7.410
  774    H    GLN 107           H        GLN 107  28.442  20.285  -9.967
  775    HA   GLN 107           HA       GLN 107  30.961  20.154 -11.497
  776    HB2  GLN 107           HB2      GLN 107  28.432  18.547 -11.905
  777    HB3  GLN 107           HB3      GLN 107  30.061  18.179 -12.480
  778    HG2  GLN 107           HG2      GLN 107  29.269  18.236  -9.550
  779    HG3  GLN 107           HG3      GLN 107  29.283  16.812 -10.600
  780   HE21  GLN 107          HE22      GLN 107  30.580  16.128  -8.697
  781   HE22  GLN 107          HE21      GLN 107  32.331  16.266  -8.868
  782    H    SER 108           H        SER 108  30.555  19.627 -13.903
  783    HA   SER 108           HA       SER 108  29.606  22.010 -15.262
  784    HB2  SER 108           HB2      SER 108  30.679  19.319 -16.211
  785    HB3  SER 108           HB3      SER 108  30.532  20.786 -17.211
  786    HG   SER 108           HG       SER 108  32.658  20.505 -16.403
  787    H    LEU 109           H        LEU 109  27.934  21.957 -16.949
  788    HA   LEU 109           HA       LEU 109  25.585  20.579 -16.240
  789    HB2  LEU 109           HB2      LEU 109  26.426  21.909 -18.838
  790    HB3  LEU 109           HB3      LEU 109  24.822  21.218 -18.614
  791    HG   LEU 109           HG       LEU 109  25.968  23.370 -16.795
  792   HD11  LEU 109          HD11      LEU 109  24.059  23.655 -19.159
  793   HD12  LEU 109          HD12      LEU 109  24.531  24.950 -18.035
  794   HD13  LEU 109          HD13      LEU 109  25.742  24.222 -19.099
  795   HD21  LEU 109          HD21      LEU 109  23.121  22.314 -17.162
  796   HD22  LEU 109          HD22      LEU 109  24.147  22.091 -15.730
  797   HD23  LEU 109          HD23      LEU 109  23.580  23.703 -16.155
  798    H    GLU 110           H        GLU 110  28.145  19.611 -18.514
  799    HA   GLU 110           HA       GLU 110  26.831  17.401 -19.674
  800    HB2  GLU 110           HB2      GLU 110  29.781  17.845 -19.006
  801    HB3  GLU 110           HB3      GLU 110  29.167  16.514 -19.977
  802    HG2  GLU 110           HG2      GLU 110  29.984  18.159 -21.482
  803    HG3  GLU 110           HG3      GLU 110  28.231  18.094 -21.626
  804    H    VAL 111           H        VAL 111  28.569  17.691 -16.541
  805    HA   VAL 111           HA       VAL 111  28.447  14.868 -15.928
  806    HB   VAL 111           HB       VAL 111  28.865  17.287 -14.155
  807   HG11  VAL 111          HG11      VAL 111  28.117  15.498 -12.723
  808   HG12  VAL 111          HG12      VAL 111  29.160  14.321 -13.559
  809   HG13  VAL 111          HG13      VAL 111  29.873  15.596 -12.557
  810   HG21  VAL 111          HG21      VAL 111  30.862  15.305 -15.338
  811   HG22  VAL 111          HG22      VAL 111  30.667  16.993 -15.845
  812   HG23  VAL 111          HG23      VAL 111  31.254  16.628 -14.221
  813    H    PHE 112           H        PHE 112  26.474  17.769 -15.122
  814    HA   PHE 112           HA       PHE 112  24.535  16.470 -13.524
  815    HB2  PHE 112           HB2      PHE 112  24.520  18.944 -15.245
  816    HB3  PHE 112           HB3      PHE 112  23.008  18.309 -14.652
  817    HD1  PHE 112           HD1      PHE 112  22.390  18.272 -12.311
  818    HD2  PHE 112           HD2      PHE 112  26.176  19.867 -13.637
  819    HE1  PHE 112           HE1      PHE 112  22.764  19.276 -10.070
  820    HE2  PHE 112           HE2      PHE 112  26.546  20.840 -11.393
  821    HZ   PHE 112           HZ       PHE 112  24.887  20.494  -9.620
  822    H    ARG 113           H        ARG 113  24.366  17.051 -17.122
  823    HA   ARG 113           HA       ARG 113  22.067  15.470 -17.503
  824    HB2  ARG 113           HB2      ARG 113  24.386  16.100 -19.378
  825    HB3  ARG 113           HB3      ARG 113  22.952  15.186 -19.883
  826    HG2  ARG 113           HG2      ARG 113  21.483  17.051 -19.209
  827    HG3  ARG 113           HG3      ARG 113  22.895  17.969 -18.668
  828    HD2  ARG 113           HD2      ARG 113  22.039  18.756 -20.820
  829    HD3  ARG 113           HD3      ARG 113  23.720  18.229 -20.882
  830    HE   ARG 113           HE       ARG 113  23.197  16.499 -22.281
  831   HH11  ARG 113          HH11      ARG 113  20.088  17.953 -21.188
  832   HH12  ARG 113          HH12      ARG 113  19.197  17.194 -22.456
  833   HH21  ARG 113          HH21      ARG 113  21.937  15.458 -23.862
  834   HH22  ARG 113          HH22      ARG 113  20.235  15.693 -23.936
  835    H    THR 114           H        THR 114  25.511  14.347 -17.430
  836    HA   THR 114           HA       THR 114  24.978  11.707 -18.235
  837    HB   THR 114           HB       THR 114  27.120  12.985 -16.473
  838    HG1  THR 114           HG1      THR 114  27.214  13.822 -18.457
  839   HG21  THR 114          HG21      THR 114  27.047  10.245 -17.757
  840   HG22  THR 114          HG22      THR 114  28.523  11.042 -17.139
  841   HG23  THR 114          HG23      THR 114  27.202  10.655 -16.026
  842    H    VAL 115           H        VAL 115  25.092  13.161 -14.916
  843    HA   VAL 115           HA       VAL 115  24.355  10.683 -13.676
  844    HB   VAL 115           HB       VAL 115  24.367  13.531 -12.733
  845   HG11  VAL 115          HG11      VAL 115  23.712  11.046 -11.105
  846   HG12  VAL 115          HG12      VAL 115  24.180  12.580 -10.380
  847   HG13  VAL 115          HG13      VAL 115  22.696  12.480 -11.329
  848   HG21  VAL 115          HG21      VAL 115  26.576  12.538 -13.157
  849   HG22  VAL 115          HG22      VAL 115  26.341  12.734 -11.423
  850   HG23  VAL 115          HG23      VAL 115  26.149  11.131 -12.163
  851    H    ARG 116           H        ARG 116  22.385  13.537 -14.724
  852    HA   ARG 116           HA       ARG 116  19.974  12.642 -13.603
  853    HB2  ARG 116           HB2      ARG 116  20.358  14.891 -14.738
  854    HB3  ARG 116           HB3      ARG 116  20.270  14.054 -16.293
  855    HG2  ARG 116           HG2      ARG 116  17.959  13.113 -15.172
  856    HG3  ARG 116           HG3      ARG 116  18.162  14.549 -14.197
  857    HD2  ARG 116           HD2      ARG 116  16.595  14.647 -16.159
  858    HD3  ARG 116           HD3      ARG 116  17.761  15.959 -16.081
  859    HE   ARG 116           HE       ARG 116  18.122  13.535 -17.826
  860   HH11  ARG 116          HH11      ARG 116  17.856  17.039 -17.581
  861   HH12  ARG 116          HH12      ARG 116  18.803  17.394 -18.988
  862   HH21  ARG 116          HH21      ARG 116  19.244  13.951 -19.828
  863   HH22  ARG 116          HH22      ARG 116  19.435  15.575 -20.378
  864    H    GLY 117           H        GLY 117  21.446  11.828 -16.794
  865    HA2  GLY 117           HA2      GLY 117  19.294  10.235 -17.702
  866    HA3  GLY 117           HA3      GLY 117  20.996  10.073 -18.226
  867    H    GLN 118           H        GLN 118  22.254   9.263 -15.837
  868    HA   GLN 118           HA       GLN 118  21.622   6.499 -15.734
  869    HB2  GLN 118           HB2      GLN 118  23.215   8.281 -13.853
  870    HB3  GLN 118           HB3      GLN 118  23.149   6.520 -13.723
  871    HG2  GLN 118           HG2      GLN 118  24.218   6.249 -15.890
  872    HG3  GLN 118           HG3      GLN 118  24.145   7.990 -16.187
  873   HE21  GLN 118          HE22      GLN 118  25.493   9.412 -15.047
  874   HE22  GLN 118          HE21      GLN 118  26.891   8.888 -14.097
  875    H    VAL 119           H        VAL 119  21.171   9.027 -13.260
  876    HA   VAL 119           HA       VAL 119  19.661   7.697 -11.378
  877    HB   VAL 119           HB       VAL 119  19.441  10.609 -12.300
  878   HG11  VAL 119          HG11      VAL 119  18.412  11.052 -10.082
  879   HG12  VAL 119          HG12      VAL 119  17.368  10.097 -11.140
  880   HG13  VAL 119          HG13      VAL 119  18.255   9.297  -9.833
  881   HG21  VAL 119          HG21      VAL 119  21.645   9.762 -11.239
  882   HG22  VAL 119          HG22      VAL 119  20.839  11.075 -10.368
  883   HG23  VAL 119          HG23      VAL 119  20.699   9.408  -9.787
  884    H    LYS 120           H        LYS 120  18.257   9.395 -14.308
  885    HA   LYS 120           HA       LYS 120  15.608   8.771 -13.497
  886    HB2  LYS 120           HB2      LYS 120  16.069  10.578 -15.059
  887    HB3  LYS 120           HB3      LYS 120  16.826   9.461 -16.211
  888    HG2  LYS 120           HG2      LYS 120  14.687   8.337 -16.597
  889    HG3  LYS 120           HG3      LYS 120  13.890   9.378 -15.397
  890    HD2  LYS 120           HD2      LYS 120  14.333  11.361 -16.767
  891    HD3  LYS 120           HD3      LYS 120  15.258  10.409 -17.936
  892    HE2  LYS 120           HE2      LYS 120  12.331   9.921 -17.243
  893    HE3  LYS 120           HE3      LYS 120  12.874  10.925 -18.600
  894    HZ1  LYS 120           HZ1      LYS 120  13.990   8.910 -19.482
  895    HZ2  LYS 120           HZ2      LYS 120  13.292   7.997 -18.297
  896    HZ3  LYS 120           HZ3      LYS 120  12.372   8.761 -19.400
  897    H    GLU 121           H        GLU 121  17.810   7.113 -15.765
  898    HA   GLU 121           HA       GLU 121  16.106   5.005 -16.520
  899    HB2  GLU 121           HB2      GLU 121  18.060   5.027 -17.777
  900    HB3  GLU 121           HB3      GLU 121  18.999   5.675 -16.443
  901    HG2  GLU 121           HG2      GLU 121  19.951   3.644 -17.027
  902    HG3  GLU 121           HG3      GLU 121  19.316   3.590 -15.409
  903    H    ARG 122           H        ARG 122  18.260   5.421 -13.640
  904    HA   ARG 122           HA       ARG 122  17.851   2.706 -12.780
  905    HB2  ARG 122           HB2      ARG 122  19.047   5.152 -11.456
  906    HB3  ARG 122           HB3      ARG 122  18.957   3.548 -10.712
  907    HG2  ARG 122           HG2      ARG 122  20.400   2.529 -12.212
  908    HG3  ARG 122           HG3      ARG 122  20.328   3.856 -13.374
  909    HD2  ARG 122           HD2      ARG 122  21.485   5.356 -11.878
  910    HD3  ARG 122           HD3      ARG 122  21.429   4.191 -10.561
  911    HE   ARG 122           HE       ARG 122  23.227   4.187 -12.883
  912   HH11  ARG 122          HH11      ARG 122  22.020   2.294 -10.126
  913   HH12  ARG 122          HH12      ARG 122  23.361   1.206 -10.114
  914   HH21  ARG 122          HH21      ARG 122  25.046   2.788 -12.807
  915   HH22  ARG 122          HH22      ARG 122  25.127   1.515 -11.653
  916    H    VAL 123           H        VAL 123  16.305   5.853 -11.648
  917    HA   VAL 123           HA       VAL 123  14.483   4.732  -9.933
  918    HB   VAL 123           HB       VAL 123  14.054   6.962 -11.968
  919   HG11  VAL 123          HG11      VAL 123  12.268   7.679 -10.432
  920   HG12  VAL 123          HG12      VAL 123  11.871   6.132 -11.168
  921   HG13  VAL 123          HG13      VAL 123  12.445   6.176  -9.492
  922   HG21  VAL 123          HG21      VAL 123  15.875   7.467 -10.353
  923   HG22  VAL 123          HG22      VAL 123  14.453   8.444 -10.021
  924   HG23  VAL 123          HG23      VAL 123  14.824   7.030  -9.020
  925    H    GLU 124           H        GLU 124  14.143   4.917 -13.581
  926    HA   GLU 124           HA       GLU 124  11.669   3.544 -13.613
  927    HB2  GLU 124           HB2      GLU 124  13.864   3.665 -15.735
  928    HB3  GLU 124           HB3      GLU 124  12.271   2.955 -15.991
  929    HG2  GLU 124           HG2      GLU 124  11.209   5.136 -15.497
  930    HG3  GLU 124           HG3      GLU 124  12.806   5.851 -15.250
  931    H    ASN 125           H        ASN 125  14.980   2.355 -13.496
  932    HA   ASN 125           HA       ASN 125  14.477  -0.399 -13.907
  933    HB2  ASN 125           HB2      ASN 125  16.689   1.070 -13.817
  934    HB3  ASN 125           HB3      ASN 125  16.728   0.565 -12.132
  935   HD21  ASN 125          HD22      ASN 125  18.062  -0.061 -15.018
  936   HD22  ASN 125          HD21      ASN 125  18.318  -1.796 -14.865
  937    H    LEU 126           H        LEU 126  14.695   1.549 -10.923
  938    HA   LEU 126           HA       LEU 126  14.189  -0.624  -9.181
  939    HB2  LEU 126           HB2      LEU 126  14.497   0.725  -7.449
  940    HB3  LEU 126           HB3      LEU 126  15.164   1.761  -8.691
  941    HG   LEU 126           HG       LEU 126  12.683   2.679  -8.810
  942   HD11  LEU 126          HD11      LEU 126  12.041   0.859  -7.014
  943   HD12  LEU 126          HD12      LEU 126  12.649   2.047  -5.877
  944   HD13  LEU 126          HD13      LEU 126  11.322   2.482  -6.973
  945   HD21  LEU 126          HD21      LEU 126  14.316   3.468  -6.381
  946   HD22  LEU 126          HD22      LEU 126  14.770   3.918  -8.018
  947   HD23  LEU 126          HD23      LEU 126  13.223   4.471  -7.359
  948    H    ILE 127           H        ILE 127  11.923   1.741 -10.576
  949    HA   ILE 127           HA       ILE 127   9.509   0.621  -9.586
  950    HB   ILE 127           HB       ILE 127  10.292   2.061 -12.151
  951   HG12  ILE 127          HG12      ILE 127   8.722   3.060  -9.716
  952   HG13  ILE 127          HG13      ILE 127  10.447   3.317  -9.930
  953   HG21  ILE 127          HG21      ILE 127   7.486   1.414 -11.177
  954   HG22  ILE 127          HG22      ILE 127   7.886   2.456 -12.569
  955   HG23  ILE 127          HG23      ILE 127   8.272   0.743 -12.619
  956   HD11  ILE 127          HD11      ILE 127   9.979   4.590 -12.043
  957   HD12  ILE 127          HD12      ILE 127   8.242   4.483 -11.680
  958   HD13  ILE 127          HD13      ILE 127   9.324   5.332 -10.573
  959    H    ALA 128           H        ALA 128  11.654  -0.442 -12.302
  960    HA   ALA 128           HA       ALA 128   9.716  -2.257 -13.324
  961    HB1  ALA 128           HB1      ALA 128  11.637  -1.446 -14.671
  962    HB2  ALA 128           HB2      ALA 128  12.735  -2.429 -13.671
  963    HB3  ALA 128           HB3      ALA 128  11.498  -3.212 -14.660
  964    H    LYS 129           H        LYS 129  12.256  -2.601 -10.870
  965    HA   LYS 129           HA       LYS 129  12.124  -5.391 -10.417
  966    HB2  LYS 129           HB2      LYS 129  12.563  -3.130  -8.471
  967    HB3  LYS 129           HB3      LYS 129  12.846  -4.828  -8.099
  968    HG2  LYS 129           HG2      LYS 129  14.659  -4.944  -9.740
  969    HG3  LYS 129           HG3      LYS 129  14.317  -3.291 -10.282
  970    HD2  LYS 129           HD2      LYS 129  14.638  -2.563  -7.850
  971    HD3  LYS 129           HD3      LYS 129  15.310  -4.164  -7.548
  972    HE2  LYS 129           HE2      LYS 129  16.368  -2.127  -9.583
  973    HE3  LYS 129           HE3      LYS 129  16.980  -2.317  -7.942
  974    HZ1  LYS 129           HZ1      LYS 129  18.408  -3.486  -9.284
  975    HZ2  LYS 129           HZ2      LYS 129  17.524  -4.663  -8.579
  976    HZ3  LYS 129           HZ3      LYS 129  17.227  -4.256 -10.144
  977    H    ILE 130           H        ILE 130  10.310  -2.716  -8.829
  978    HA   ILE 130           HA       ILE 130   8.781  -4.518  -7.228
  979    HB   ILE 130           HB       ILE 130   7.703  -2.332  -6.485
  980   HG12  ILE 130          HG12      ILE 130   9.479  -1.149  -8.502
  981   HG13  ILE 130          HG13      ILE 130   7.809  -0.798  -8.139
  982   HG21  ILE 130          HG21      ILE 130   9.674  -3.565  -5.425
  983   HG22  ILE 130          HG22      ILE 130  10.747  -2.473  -6.328
  984   HG23  ILE 130          HG23      ILE 130   9.643  -1.841  -5.088
  985   HD11  ILE 130          HD11      ILE 130   8.532   0.315  -6.026
  986   HD12  ILE 130          HD12      ILE 130  10.217  -0.051  -6.418
  987   HD13  ILE 130          HD13      ILE 130   9.332   1.046  -7.454
  988    H    SER 131           H        SER 131   8.109  -2.577 -10.028
  989    HA   SER 131           HA       SER 131   6.151  -2.067 -11.080
  990    HB2  SER 131           HB2      SER 131   5.907  -3.929 -12.803
  991    HB3  SER 131           HB3      SER 131   7.424  -3.044 -12.627
  992    HG   SER 131           HG       SER 131   8.424  -4.796 -12.039
  Start of MODEL    6
    1    H    MET   1           H        MET   1   1.515  -1.217  -3.466
    2    HA   MET   1           HA       MET   1   2.359   0.902  -4.100
    3    HB2  MET   1           HB2      MET   1   0.720   2.309  -2.995
    4    HB3  MET   1           HB3      MET   1   1.265   1.797  -1.393
    5    HG2  MET   1           HG2      MET   1   3.355   2.941  -1.629
    6    HG3  MET   1           HG3      MET   1   3.083   3.232  -3.344
    7    HE1  MET   1           HE1      MET   1   0.673   6.202  -3.535
    8    HE2  MET   1           HE2      MET   1   1.927   5.268  -4.373
    9    HE3  MET   1           HE3      MET   1   0.403   4.485  -3.892
   10    H    LYS   2           H        LYS   2   4.553   1.436  -3.641
   11    HA   LYS   2           HA       LYS   2   5.795   0.058  -1.298
   12    HB2  LYS   2           HB2      LYS   2   6.583  -0.040  -4.215
   13    HB3  LYS   2           HB3      LYS   2   7.873   0.269  -3.063
   14    HG2  LYS   2           HG2      LYS   2   7.949  -1.997  -3.175
   15    HG3  LYS   2           HG3      LYS   2   6.960  -1.739  -1.733
   16    HD2  LYS   2           HD2      LYS   2   4.919  -2.070  -3.267
   17    HD3  LYS   2           HD3      LYS   2   6.056  -2.648  -4.483
   18    HE2  LYS   2           HE2      LYS   2   5.524  -3.800  -1.707
   19    HE3  LYS   2           HE3      LYS   2   5.129  -4.545  -3.256
   20    HZ1  LYS   2           HZ1      LYS   2   7.866  -4.101  -2.171
   21    HZ2  LYS   2           HZ2      LYS   2   7.092  -5.531  -2.317
   22    HZ3  LYS   2           HZ3      LYS   2   7.541  -4.735  -3.665
   23    H    LYS   3           H        LYS   3   7.398   1.193  -0.256
   24    HA   LYS   3           HA       LYS   3   7.563   4.082  -0.890
   25    HB2  LYS   3           HB2      LYS   3   7.671   2.490   1.666
   26    HB3  LYS   3           HB3      LYS   3   8.609   3.966   1.580
   27    HG2  LYS   3           HG2      LYS   3   6.771   5.315   0.872
   28    HG3  LYS   3           HG3      LYS   3   5.680   3.915   0.753
   29    HD2  LYS   3           HD2      LYS   3   5.731   3.601   3.157
   30    HD3  LYS   3           HD3      LYS   3   7.030   4.812   3.327
   31    HE2  LYS   3           HE2      LYS   3   5.536   6.568   2.497
   32    HE3  LYS   3           HE3      LYS   3   4.221   5.395   2.299
   33    HZ1  LYS   3           HZ1      LYS   3   4.132   6.684   4.410
   34    HZ2  LYS   3           HZ2      LYS   3   4.201   5.069   4.668
   35    HZ3  LYS   3           HZ3      LYS   3   5.542   5.968   4.890
   36    H    VAL   4           H        VAL   4   9.157   4.555  -2.118
   37    HA   VAL   4           HA       VAL   4  11.763   3.163  -2.087
   38    HB   VAL   4           HB       VAL   4  10.656   5.475  -3.747
   39   HG11  VAL   4          HG11      VAL   4  13.112   3.727  -4.241
   40   HG12  VAL   4          HG12      VAL   4  12.471   4.979  -5.330
   41   HG13  VAL   4          HG13      VAL   4  13.136   5.441  -3.770
   42   HG21  VAL   4          HG21      VAL   4  10.403   3.816  -5.569
   43   HG22  VAL   4          HG22      VAL   4  10.834   2.521  -4.442
   44   HG23  VAL   4          HG23      VAL   4   9.341   3.456  -4.209
   45    H    MET   5           H        MET   5  13.513   3.944  -1.095
   46    HA   MET   5           HA       MET   5  13.567   6.880  -0.412
   47    HB2  MET   5           HB2      MET   5  13.406   5.577   1.622
   48    HB3  MET   5           HB3      MET   5  14.765   4.566   1.117
   49    HG2  MET   5           HG2      MET   5  15.525   6.188   2.756
   50    HG3  MET   5           HG3      MET   5  16.247   6.507   1.203
   51    HE1  MET   5           HE1      MET   5  13.810   9.332   3.766
   52    HE2  MET   5           HE2      MET   5  13.574   7.568   3.772
   53    HE3  MET   5           HE3      MET   5  15.145   8.245   4.218
   54    H    PHE   6           H        PHE   6  15.416   8.006  -0.912
   55    HA   PHE   6           HA       PHE   6  17.704   6.590  -2.251
   56    HB2  PHE   6           HB2      PHE   6  16.693   9.395  -2.720
   57    HB3  PHE   6           HB3      PHE   6  18.065   8.628  -3.490
   58    HD1  PHE   6           HD2      PHE   6  17.632   6.451  -4.872
   59    HD2  PHE   6           HD1      PHE   6  14.596   9.322  -3.789
   60    HE1  PHE   6           HE2      PHE   6  16.178   5.606  -6.730
   61    HE2  PHE   6           HE1      PHE   6  13.289   8.593  -5.770
   62    HZ   PHE   6           HZ       PHE   6  13.958   6.638  -7.093
   63    H    VAL   7           H        VAL   7  19.533   6.671  -0.850
   64    HA   VAL   7           HA       VAL   7  19.692   8.862   1.184
   65    HB   VAL   7           HB       VAL   7  20.675   5.977   1.401
   66   HG11  VAL   7          HG11      VAL   7  20.687   6.445   3.846
   67   HG12  VAL   7          HG12      VAL   7  21.785   7.497   2.968
   68   HG13  VAL   7          HG13      VAL   7  20.212   8.124   3.514
   69   HG21  VAL   7          HG21      VAL   7  18.035   7.031   2.436
   70   HG22  VAL   7          HG22      VAL   7  18.298   5.734   1.232
   71   HG23  VAL   7          HG23      VAL   7  18.770   5.486   2.908
   72    H    CYS   8           H        CYS   8  21.837   9.757   1.502
   73    HA   CYS   8           HA       CYS   8  24.071   8.692  -0.125
   74    HB2  CYS   8           HB2      CYS   8  24.258  10.897  -1.222
   75    HB3  CYS   8           HB3      CYS   8  22.688  10.174  -1.558
   76    HG   CYS   8           HG       CYS   8  21.339  11.381   0.357
   77    H    LYS   9           H        LYS   9  25.854  10.686  -0.005
   78    HA   LYS   9           HA       LYS   9  26.488  11.165   2.824
   79    HB2  LYS   9           HB2      LYS   9  27.812  11.565   0.124
   80    HB3  LYS   9           HB3      LYS   9  28.386  12.517   1.498
   81    HG2  LYS   9           HG2      LYS   9  28.943  10.584   2.776
   82    HG3  LYS   9           HG3      LYS   9  28.139   9.491   1.637
   83    HD2  LYS   9           HD2      LYS   9  29.730   9.979  -0.106
   84    HD3  LYS   9           HD3      LYS   9  30.485  11.276   0.826
   85    HE2  LYS   9           HE2      LYS   9  30.461   8.350   1.690
   86    HE3  LYS   9           HE3      LYS   9  31.767   9.090   0.756
   87    HZ1  LYS   9           HZ1      LYS   9  32.140  10.631   2.590
   88    HZ2  LYS   9           HZ2      LYS   9  30.955   9.939   3.480
   89    HZ3  LYS   9           HZ3      LYS   9  32.296   9.096   3.100
   90    H    ARG  10           H        ARG  10  24.770  12.937   0.279
   91    HA   ARG  10           HA       ARG  10  24.421  15.257   1.884
   92    HB2  ARG  10           HB2      ARG  10  25.444  16.877   0.340
   93    HB3  ARG  10           HB3      ARG  10  26.586  15.900   1.228
   94    HG2  ARG  10           HG2      ARG  10  26.997  14.543  -0.912
   95    HG3  ARG  10           HG3      ARG  10  25.990  15.712  -1.780
   96    HD2  ARG  10           HD2      ARG  10  27.405  17.568  -1.068
   97    HD3  ARG  10           HD3      ARG  10  28.327  16.515   0.018
   98    HE   ARG  10           HE       ARG  10  28.547  15.535  -2.663
   99   HH11  ARG  10          HH11      ARG  10  29.719  18.218  -0.616
  100   HH12  ARG  10          HH12      ARG  10  31.206  18.374  -1.474
  101   HH21  ARG  10          HH21      ARG  10  30.398  15.719  -3.722
  102   HH22  ARG  10          HH22      ARG  10  31.631  16.914  -3.349
  103    H    ASN  11           H        ASN  11  22.351  15.279   1.529
  104    HA   ASN  11           HA       ASN  11  20.849  14.019  -0.443
  105    HB2  ASN  11           HB2      ASN  11  19.983  14.810   1.724
  106    HB3  ASN  11           HB3      ASN  11  20.039  16.477   1.133
  107   HD21  ASN  11          HD22      ASN  11  18.707  13.251   0.025
  108   HD22  ASN  11          HD21      ASN  11  17.205  13.949  -0.579
  109    H    SER  12           H        SER  12  22.548  17.000  -0.879
  110    HA   SER  12           HA       SER  12  21.140  18.713  -2.203
  111    HB2  SER  12           HB2      SER  12  23.721  18.256  -3.573
  112    HB3  SER  12           HB3      SER  12  23.100  19.694  -2.775
  113    HG   SER  12           HG       SER  12  24.963  18.703  -1.890
  114    H    CYS  13           H        CYS  13  22.445  15.870  -4.062
  115    HA   CYS  13           HA       CYS  13  20.821  16.874  -6.358
  116    HB2  CYS  13           HB2      CYS  13  22.794  16.221  -7.828
  117    HB3  CYS  13           HB3      CYS  13  22.880  17.735  -6.924
  118    HG   CYS  13           HG       CYS  13  24.409  17.033  -5.060
  119    H    ARG  14           H        ARG  14  22.981  13.937  -6.114
  120    HA   ARG  14           HA       ARG  14  21.545  12.568  -7.950
  121    HB2  ARG  14           HB2      ARG  14  22.573  11.045  -5.525
  122    HB3  ARG  14           HB3      ARG  14  22.176  10.382  -7.069
  123    HG2  ARG  14           HG2      ARG  14  24.188  10.661  -7.847
  124    HG3  ARG  14           HG3      ARG  14  24.146  12.383  -7.565
  125    HD2  ARG  14           HD2      ARG  14  24.804  10.376  -5.357
  126    HD3  ARG  14           HD3      ARG  14  26.025  10.986  -6.447
  127    HE   ARG  14           HE       ARG  14  25.966  13.101  -5.460
  128   HH11  ARG  14          HH21      ARG  14  23.712  11.034  -3.669
  129   HH12  ARG  14          HH22      ARG  14  23.064  12.376  -2.761
  130   HH21  ARG  14          HH11      ARG  14  25.577  14.574  -4.037
  131   HH22  ARG  14          HH12      ARG  14  24.386  14.383  -2.754
  132    H    SER  15           H        SER  15  20.877  12.424  -4.430
  133    HA   SER  15           HA       SER  15  18.758  10.604  -4.439
  134    HB2  SER  15           HB2      SER  15  18.842  12.715  -2.343
  135    HB3  SER  15           HB3      SER  15  18.874  10.952  -2.188
  136    HG   SER  15           HG       SER  15  20.834  11.825  -1.540
  137    H    GLN  16           H        GLN  16  18.762  14.213  -4.388
  138    HA   GLN  16           HA       GLN  16  15.928  14.574  -4.199
  139    HB2  GLN  16           HB2      GLN  16  18.354  16.250  -4.915
  140    HB3  GLN  16           HB3      GLN  16  16.767  16.908  -5.238
  141    HG2  GLN  16           HG2      GLN  16  17.533  15.781  -2.533
  142    HG3  GLN  16           HG3      GLN  16  17.819  17.463  -2.966
  143   HE21  GLN  16          HE22      GLN  16  16.199  16.539  -0.813
  144   HE22  GLN  16          HE21      GLN  16  14.565  17.147  -1.084
  145    H    MET  17           H        MET  17  18.183  14.461  -6.954
  146    HA   MET  17           HA       MET  17  16.320  15.051  -9.042
  147    HB2  MET  17           HB2      MET  17  18.918  13.479  -8.892
  148    HB3  MET  17           HB3      MET  17  18.087  13.806 -10.412
  149    HG2  MET  17           HG2      MET  17  18.473  16.131 -10.297
  150    HG3  MET  17           HG3      MET  17  18.752  16.099  -8.564
  151    HE1  MET  17           HE1      MET  17  21.950  14.779 -11.653
  152    HE2  MET  17           HE2      MET  17  20.480  13.825 -11.374
  153    HE3  MET  17           HE3      MET  17  20.365  15.463 -12.093
  154    H    ALA  18           H        ALA  18  17.497  11.939  -7.623
  155    HA   ALA  18           HA       ALA  18  15.908  10.245  -9.187
  156    HB1  ALA  18           HB1      ALA  18  17.841   9.585  -7.682
  157    HB2  ALA  18           HB2      ALA  18  16.751   9.771  -6.300
  158    HB3  ALA  18           HB3      ALA  18  16.410   8.563  -7.555
  159    H    GLU  19           H        GLU  19  15.127  11.887  -6.104
  160    HA   GLU  19           HA       GLU  19  12.548  10.681  -5.702
  161    HB2  GLU  19           HB2      GLU  19  13.891  11.990  -4.021
  162    HB3  GLU  19           HB3      GLU  19  13.469  13.475  -4.880
  163    HG2  GLU  19           HG2      GLU  19  11.031  12.897  -4.499
  164    HG3  GLU  19           HG3      GLU  19  11.570  11.546  -3.496
  165    H    GLY  20           H        GLY  20  13.551  13.684  -7.440
  166    HA2  GLY  20           HA2      GLY  20  10.967  14.583  -8.146
  167    HA3  GLY  20           HA3      GLY  20  12.482  14.948  -8.990
  168    H    PHE  21           H        PHE  21  13.256  12.399  -9.973
  169    HA   PHE  21           HA       PHE  21  11.388  12.042 -12.147
  170    HB2  PHE  21           HB2      PHE  21  13.654  10.219 -11.248
  171    HB3  PHE  21           HB3      PHE  21  12.736  10.044 -12.739
  172    HD1  PHE  21           HD1      PHE  21  12.626  12.283 -14.266
  173    HD2  PHE  21           HD2      PHE  21  15.700  11.338 -11.398
  174    HE1  PHE  21           HE1      PHE  21  14.081  14.113 -15.186
  175    HE2  PHE  21           HE2      PHE  21  17.118  13.158 -12.323
  176    HZ   PHE  21           HZ       PHE  21  16.248  14.566 -14.187
  177    H    ALA  22           H        ALA  22  12.122  10.036  -9.249
  178    HA   ALA  22           HA       ALA  22  10.372   7.943  -9.789
  179    HB1  ALA  22           HB1      ALA  22  10.474   7.493  -7.341
  180    HB2  ALA  22           HB2      ALA  22  12.077   7.879  -7.994
  181    HB3  ALA  22           HB3      ALA  22  11.191   9.109  -7.101
  182    H    LYS  23           H        LYS  23   9.547  10.998  -8.020
  183    HA   LYS  23           HA       LYS  23   6.890  10.020  -7.609
  184    HB2  LYS  23           HB2      LYS  23   6.329  12.107  -6.710
  185    HB3  LYS  23           HB3      LYS  23   7.977  11.769  -6.192
  186    HG2  LYS  23           HG2      LYS  23   8.805  13.269  -8.032
  187    HG3  LYS  23           HG3      LYS  23   7.111  13.648  -8.412
  188    HD2  LYS  23           HD2      LYS  23   6.965  14.260  -5.837
  189    HD3  LYS  23           HD3      LYS  23   8.738  14.372  -5.963
  190    HE2  LYS  23           HE2      LYS  23   8.400  15.894  -7.963
  191    HE3  LYS  23           HE3      LYS  23   6.652  15.798  -7.672
  192    HZ1  LYS  23           HZ1      LYS  23   8.664  16.927  -5.792
  193    HZ2  LYS  23           HZ2      LYS  23   7.604  17.796  -6.687
  194    HZ3  LYS  23           HZ3      LYS  23   7.050  16.832  -5.493
  195    H    THR  24           H        THR  24   8.447  11.736 -10.380
  196    HA   THR  24           HA       THR  24   5.878  12.454 -11.456
  197    HB   THR  24           HB       THR  24   8.637  12.063 -12.801
  198    HG1  THR  24           HG1      THR  24   8.897  13.630 -11.268
  199   HG21  THR  24          HG21      THR  24   7.806  13.682 -14.471
  200   HG22  THR  24          HG22      THR  24   6.838  12.206 -14.432
  201   HG23  THR  24          HG23      THR  24   6.214  13.686 -13.661
  202    H    LEU  25           H        LEU  25   8.181   9.812 -11.833
  203    HA   LEU  25           HA       LEU  25   6.914   8.423 -13.970
  204    HB2  LEU  25           HB2      LEU  25   8.909   7.587 -11.847
  205    HB3  LEU  25           HB3      LEU  25   8.492   6.608 -13.253
  206    HG   LEU  25           HG       LEU  25   9.699   9.417 -13.480
  207   HD11  LEU  25          HD11      LEU  25  11.207   8.014 -12.287
  208   HD12  LEU  25          HD12      LEU  25  11.007   6.674 -13.429
  209   HD13  LEU  25          HD13      LEU  25  11.818   8.174 -13.946
  210   HD21  LEU  25          HD21      LEU  25  10.249   8.654 -15.778
  211   HD22  LEU  25          HD22      LEU  25   9.371   7.134 -15.483
  212   HD23  LEU  25          HD23      LEU  25   8.503   8.685 -15.501
  213    H    GLY  26           H        GLY  26   6.915   7.994 -10.454
  214    HA2  GLY  26           HA2      GLY  26   4.692   6.021 -10.754
  215    HA3  GLY  26           HA3      GLY  26   6.088   5.841  -9.696
  216    H    ALA  27           H        ALA  27   4.993   9.090  -9.275
  217    HA   ALA  27           HA       ALA  27   3.740   8.610  -6.791
  218    HB1  ALA  27           HB1      ALA  27   4.436  10.899  -7.366
  219    HB2  ALA  27           HB2      ALA  27   3.330  10.947  -8.746
  220    HB3  ALA  27           HB3      ALA  27   2.694  10.892  -7.086
  221    H    GLY  28           H        GLY  28   1.995   7.465  -6.375
  222    HA2  GLY  28           HA2      GLY  28  -0.506   7.397  -6.693
  223    HA3  GLY  28           HA3      GLY  28  -0.173   7.194  -8.420
  224    H    LYS  29           H        LYS  29   2.307   5.492  -7.757
  225    HA   LYS  29           HA       LYS  29   0.974   3.066  -6.679
  226    HB2  LYS  29           HB2      LYS  29   2.191   1.751  -8.443
  227    HB3  LYS  29           HB3      LYS  29   0.801   2.701  -8.935
  228    HG2  LYS  29           HG2      LYS  29   2.281   3.001 -10.694
  229    HG3  LYS  29           HG3      LYS  29   2.411   4.493  -9.801
  230    HD2  LYS  29           HD2      LYS  29   4.624   3.848 -10.438
  231    HD3  LYS  29           HD3      LYS  29   4.477   3.621  -8.705
  232    HE2  LYS  29           HE2      LYS  29   5.667   1.731  -9.680
  233    HE3  LYS  29           HE3      LYS  29   4.098   1.142  -9.142
  234    HZ1  LYS  29           HZ1      LYS  29   3.332   1.148 -11.404
  235    HZ2  LYS  29           HZ2      LYS  29   4.647   1.968 -11.944
  236    HZ3  LYS  29           HZ3      LYS  29   4.817   0.445 -11.419
  237    H    ILE  30           H        ILE  30   3.810   5.100  -6.767
  238    HA   ILE  30           HA       ILE  30   4.806   3.523  -4.478
  239    HB   ILE  30           HB       ILE  30   7.096   4.129  -5.049
  240   HG12  ILE  30          HG12      ILE  30   6.386   4.631  -7.929
  241   HG13  ILE  30          HG13      ILE  30   6.378   5.980  -6.794
  242   HG21  ILE  30          HG21      ILE  30   7.391   2.398  -6.857
  243   HG22  ILE  30          HG22      ILE  30   6.410   1.903  -5.471
  244   HG23  ILE  30          HG23      ILE  30   5.634   2.311  -7.018
  245   HD11  ILE  30          HD11      ILE  30   8.801   4.190  -7.311
  246   HD12  ILE  30          HD12      ILE  30   8.533   5.811  -7.955
  247   HD13  ILE  30          HD13      ILE  30   8.707   5.599  -6.204
  248    H    ALA  31           H        ALA  31   5.820   4.841  -2.920
  249    HA   ALA  31           HA       ALA  31   5.379   7.790  -3.178
  250    HB1  ALA  31           HB1      ALA  31   3.943   6.900  -1.412
  251    HB2  ALA  31           HB2      ALA  31   5.286   5.950  -0.742
  252    HB3  ALA  31           HB3      ALA  31   5.322   7.726  -0.657
  253    H    VAL  32           H        VAL  32   7.292   8.944  -2.953
  254    HA   VAL  32           HA       VAL  32   9.721   7.420  -2.227
  255    HB   VAL  32           HB       VAL  32   9.299   7.687  -4.600
  256   HG11  VAL  32          HG11      VAL  32   9.491  10.673  -4.230
  257   HG12  VAL  32          HG12      VAL  32   9.571   9.817  -5.772
  258   HG13  VAL  32          HG13      VAL  32   8.101   9.736  -4.824
  259   HG21  VAL  32          HG21      VAL  32  11.605   7.637  -3.429
  260   HG22  VAL  32          HG22      VAL  32  11.441   7.945  -5.140
  261   HG23  VAL  32          HG23      VAL  32  11.734   9.306  -4.009
  262    H    THR  33           H        THR  33  11.354   8.403  -1.223
  263    HA   THR  33           HA       THR  33  11.238  11.258  -0.714
  264    HB   THR  33           HB       THR  33  11.865   9.211   1.473
  265    HG1  THR  33           HG1      THR  33   9.911   9.484   2.314
  266   HG21  THR  33          HG21      THR  33  12.856  11.290   2.085
  267   HG22  THR  33          HG22      THR  33  11.428  12.222   1.566
  268   HG23  THR  33          HG23      THR  33  11.365  11.185   3.009
  269    H    SER  34           H        SER  34  13.450  12.102  -0.315
  270    HA   SER  34           HA       SER  34  15.639  10.139  -0.485
  271    HB2  SER  34           HB2      SER  34  16.888  11.761  -1.728
  272    HB3  SER  34           HB3      SER  34  15.351  11.467  -2.549
  273    HG   SER  34           HG       SER  34  14.564  13.392  -1.744
  274    H    CYS  35           H        CYS  35  17.634  10.863   0.710
  275    HA   CYS  35           HA       CYS  35  17.327  13.083   2.511
  276    HB2  CYS  35           HB2      CYS  35  17.545  11.797   4.595
  277    HB3  CYS  35           HB3      CYS  35  16.058  11.356   3.758
  278    HG   CYS  35           HG       CYS  35  16.944   9.212   2.624
  279    H    GLY  36           H        GLY  36  19.481  12.382   4.219
  280    HA2  GLY  36           HA2      GLY  36  21.591  11.143   2.700
  281    HA3  GLY  36           HA3      GLY  36  21.858  12.878   2.966
  282    H    LEU  37           H        LEU  37  23.462  10.864   4.017
  283    HA   LEU  37           HA       LEU  37  23.060  10.162   6.740
  284    HB2  LEU  37           HB2      LEU  37  25.553  10.774   5.118
  285    HB3  LEU  37           HB3      LEU  37  25.632  10.235   6.790
  286    HG   LEU  37           HG       LEU  37  24.232   8.617   4.614
  287   HD11  LEU  37          HD11      LEU  37  27.074   8.334   5.676
  288   HD12  LEU  37          HD12      LEU  37  26.254   7.214   4.562
  289   HD13  LEU  37          HD13      LEU  37  26.607   8.867   4.044
  290   HD21  LEU  37          HD21      LEU  37  24.546   6.747   6.232
  291   HD22  LEU  37          HD22      LEU  37  25.178   7.899   7.424
  292   HD23  LEU  37          HD23      LEU  37  23.493   8.010   6.867
  293    H    GLU  38           H        GLU  38  23.851  13.213   5.214
  294    HA   GLU  38           HA       GLU  38  23.206  14.605   7.668
  295    HB2  GLU  38           HB2      GLU  38  25.752  14.450   7.603
  296    HB3  GLU  38           HB3      GLU  38  25.699  15.365   6.083
  297    HG2  GLU  38           HG2      GLU  38  24.638  17.261   7.246
  298    HG3  GLU  38           HG3      GLU  38  24.544  16.325   8.737
  299    H    SER  39           H        SER  39  22.218  16.608   7.080
  300    HA   SER  39           HA       SER  39  20.994  16.650   4.459
  301    HB2  SER  39           HB2      SER  39  20.087  18.886   5.524
  302    HB3  SER  39           HB3      SER  39  19.543  17.314   6.120
  303    HG   SER  39           HG       SER  39  20.144  18.779   7.805
  304    H    SER  40           H        SER  40  21.009  18.505   3.029
  305    HA   SER  40           HA       SER  40  22.945  20.625   3.286
  306    HB2  SER  40           HB2      SER  40  23.832  20.166   0.935
  307    HB3  SER  40           HB3      SER  40  24.454  19.110   2.206
  308    HG   SER  40           HG       SER  40  23.553  18.313   0.031
  309    H    ARG  41           H        ARG  41  22.413  22.235   1.366
  310    HA   ARG  41           HA       ARG  41  19.534  22.376   1.023
  311    HB2  ARG  41           HB2      ARG  41  20.006  24.274  -0.450
  312    HB3  ARG  41           HB3      ARG  41  20.779  24.455   1.113
  313    HG2  ARG  41           HG2      ARG  41  22.946  24.186   0.266
  314    HG3  ARG  41           HG3      ARG  41  22.422  23.320  -1.178
  315    HD2  ARG  41           HD2      ARG  41  21.849  26.261  -0.670
  316    HD3  ARG  41           HD3      ARG  41  23.204  25.643  -1.639
  317    HE   ARG  41           HE       ARG  41  20.978  24.391  -2.705
  318   HH11  ARG  41          HH11      ARG  41  21.934  27.795  -2.364
  319   HH12  ARG  41          HH12      ARG  41  20.935  28.333  -3.663
  320   HH21  ARG  41          HH22      ARG  41  19.678  25.049  -4.323
  321   HH22  ARG  41          HH21      ARG  41  19.579  26.714  -4.822
  322    H    VAL  42           H        VAL  42  18.404  22.194  -1.031
  323    HA   VAL  42           HA       VAL  42  19.310  20.062  -2.763
  324    HB   VAL  42           HB       VAL  42  17.210  22.195  -3.356
  325   HG11  VAL  42          HG11      VAL  42  18.012  20.998  -5.371
  326   HG12  VAL  42          HG12      VAL  42  17.734  19.439  -4.583
  327   HG13  VAL  42          HG13      VAL  42  16.360  20.503  -4.970
  328   HG21  VAL  42          HG21      VAL  42  16.541  21.039  -1.329
  329   HG22  VAL  42          HG22      VAL  42  15.584  20.392  -2.668
  330   HG23  VAL  42          HG23      VAL  42  16.956  19.463  -2.024
  331    H    HIS  43           H        HIS  43  20.576  20.193  -4.613
  332    HA   HIS  43           HA       HIS  43  22.193  22.543  -4.811
  333    HB2  HIS  43           HB2      HIS  43  22.721  19.957  -5.141
  334    HB3  HIS  43           HB3      HIS  43  22.237  20.259  -6.801
  335    HD1  HIS  43           HD1      HIS  43  24.104  21.506  -8.272
  336    HD2  HIS  43           HD2      HIS  43  24.863  21.365  -4.137
  337    HE1  HIS  43           HE1      HIS  43  26.468  22.382  -7.948
  338    HA   PRO  44           HA       PRO  44  19.560  24.507  -7.668
  339    HB2  PRO  44           HB2      PRO  44  21.116  26.476  -8.796
  340    HB3  PRO  44           HB3      PRO  44  20.652  26.479  -7.069
  341    HG2  PRO  44           HG2      PRO  44  23.258  25.558  -8.301
  342    HG3  PRO  44           HG3      PRO  44  23.011  26.556  -6.837
  343    HD2  PRO  44           HD2      PRO  44  23.480  23.836  -6.789
  344    HD3  PRO  44           HD3      PRO  44  22.518  24.679  -5.530
  345    H    THR  45           H        THR  45  22.697  23.650  -9.330
  346    HA   THR  45           HA       THR  45  21.552  23.768 -11.875
  347    HB   THR  45           HB       THR  45  23.754  21.947 -10.785
  348    HG1  THR  45           HG1      THR  45  25.134  23.673 -11.185
  349   HG21  THR  45          HG21      THR  45  23.355  22.971 -13.622
  350   HG22  THR  45          HG22      THR  45  24.841  22.177 -12.996
  351   HG23  THR  45          HG23      THR  45  23.325  21.289 -13.051
  352    H    ALA  46           H        ALA  46  21.139  21.304  -9.441
  353    HA   ALA  46           HA       ALA  46  20.327  19.055 -10.963
  354    HB1  ALA  46           HB1      ALA  46  20.557  19.404  -8.374
  355    HB2  ALA  46           HB2      ALA  46  18.891  20.116  -8.491
  356    HB3  ALA  46           HB3      ALA  46  19.181  18.430  -8.949
  357    H    ILE  47           H        ILE  47  18.602  22.095 -10.093
  358    HA   ILE  47           HA       ILE  47  16.033  21.337 -10.782
  359    HB   ILE  47           HB       ILE  47  17.503  23.997 -11.005
  360   HG12  ILE  47          HG12      ILE  47  15.668  23.144  -8.729
  361   HG13  ILE  47          HG13      ILE  47  17.393  22.831  -8.670
  362   HG21  ILE  47          HG21      ILE  47  14.540  23.483 -10.985
  363   HG22  ILE  47          HG22      ILE  47  15.317  25.085 -10.885
  364   HG23  ILE  47          HG23      ILE  47  15.510  24.114 -12.331
  365   HD11  ILE  47          HD11      ILE  47  16.142  25.590  -8.852
  366   HD12  ILE  47          HD12      ILE  47  16.965  24.858  -7.471
  367   HD13  ILE  47          HD13      ILE  47  17.877  25.245  -8.961
  368    H    ALA  48           H        ALA  48  18.804  22.553 -12.696
  369    HA   ALA  48           HA       ALA  48  17.324  23.272 -14.985
  370    HB1  ALA  48           HB1      ALA  48  19.529  24.249 -14.346
  371    HB2  ALA  48           HB2      ALA  48  20.299  22.689 -14.687
  372    HB3  ALA  48           HB3      ALA  48  19.527  23.593 -16.004
  373    H    MET  49           H        MET  49  19.195  20.425 -14.021
  374    HA   MET  49           HA       MET  49  19.060  19.064 -16.486
  375    HB2  MET  49           HB2      MET  49  19.181  17.651 -13.837
  376    HB3  MET  49           HB3      MET  49  20.009  17.280 -15.370
  377    HG2  MET  49           HG2      MET  49  20.699  19.175 -13.192
  378    HG3  MET  49           HG3      MET  49  21.669  17.972 -13.986
  379    HE1  MET  49           HE1      MET  49  22.626  18.357 -16.510
  380    HE2  MET  49           HE2      MET  49  21.122  19.039 -17.182
  381    HE3  MET  49           HE3      MET  49  22.655  19.930 -17.335
  382    H    MET  50           H        MET  50  16.946  18.937 -13.620
  383    HA   MET  50           HA       MET  50  15.134  16.943 -14.664
  384    HB2  MET  50           HB2      MET  50  14.860  19.024 -12.441
  385    HB3  MET  50           HB3      MET  50  13.654  17.797 -12.832
  386    HG2  MET  50           HG2      MET  50  15.896  16.223 -12.691
  387    HG3  MET  50           HG3      MET  50  16.348  17.491 -11.578
  388    HE1  MET  50           HE1      MET  50  13.487  15.523 -12.821
  389    HE2  MET  50           HE2      MET  50  13.847  14.136 -11.767
  390    HE3  MET  50           HE3      MET  50  12.456  15.167 -11.409
  391    H    GLU  51           H        GLU  51  15.296  20.535 -14.767
  392    HA   GLU  51           HA       GLU  51  12.847  20.909 -16.144
  393    HB2  GLU  51           HB2      GLU  51  15.437  22.408 -15.911
  394    HB3  GLU  51           HB3      GLU  51  14.241  22.989 -17.049
  395    HG2  GLU  51           HG2      GLU  51  13.524  22.487 -14.130
  396    HG3  GLU  51           HG3      GLU  51  14.281  23.981 -14.665
  397    H    GLU  52           H        GLU  52  15.963  19.692 -17.331
  398    HA   GLU  52           HA       GLU  52  15.333  20.064 -20.097
  399    HB2  GLU  52           HB2      GLU  52  17.001  17.804 -18.960
  400    HB3  GLU  52           HB3      GLU  52  16.968  18.371 -20.621
  401    HG2  GLU  52           HG2      GLU  52  17.694  20.700 -19.579
  402    HG3  GLU  52           HG3      GLU  52  18.198  19.689 -18.222
  403    H    VAL  53           H        VAL  53  14.639  17.555 -17.682
  404    HA   VAL  53           HA       VAL  53  13.312  15.853 -19.714
  405    HB   VAL  53           HB       VAL  53  13.472  15.634 -16.697
  406   HG11  VAL  53          HG11      VAL  53  11.457  14.428 -17.449
  407   HG12  VAL  53          HG12      VAL  53  12.389  13.624 -18.730
  408   HG13  VAL  53          HG13      VAL  53  12.716  13.273 -17.018
  409   HG21  VAL  53          HG21      VAL  53  15.074  13.787 -17.248
  410   HG22  VAL  53          HG22      VAL  53  14.876  14.137 -18.971
  411   HG23  VAL  53          HG23      VAL  53  15.631  15.330 -17.908
  412    H    GLY  54           H        GLY  54  12.393  18.462 -17.574
  413    HA2  GLY  54           HA2      GLY  54  10.452  19.782 -18.121
  414    HA3  GLY  54           HA3      GLY  54   9.571  18.315 -18.571
  415    H    ILE  55           H        ILE  55  11.660  18.526 -15.716
  416    HA   ILE  55           HA       ILE  55   9.286  18.529 -13.895
  417    HB   ILE  55           HB       ILE  55  11.757  16.789 -13.666
  418   HG12  ILE  55          HG12      ILE  55   8.991  15.612 -14.000
  419   HG13  ILE  55          HG13      ILE  55   9.834  16.136 -15.443
  420   HG21  ILE  55          HG21      ILE  55  10.306  15.601 -11.864
  421   HG22  ILE  55          HG22      ILE  55  11.017  17.135 -11.416
  422   HG23  ILE  55          HG23      ILE  55   9.294  17.041 -11.887
  423   HD11  ILE  55          HD11      ILE  55  10.323  13.814 -15.092
  424   HD12  ILE  55          HD12      ILE  55  11.784  14.810 -14.908
  425   HD13  ILE  55          HD13      ILE  55  10.967  14.143 -13.468
  426    H    ASP  56           H        ASP  56  10.388  18.954 -11.495
  427    HA   ASP  56           HA       ASP  56  12.436  21.087 -11.679
  428    HB2  ASP  56           HB2      ASP  56  10.354  22.314 -11.931
  429    HB3  ASP  56           HB3      ASP  56   9.595  21.381 -10.627
  430    H    ILE  57           H        ILE  57  13.351  21.526  -9.606
  431    HA   ILE  57           HA       ILE  57  12.492  19.820  -7.368
  432    HB   ILE  57           HB       ILE  57  15.358  20.385  -7.342
  433   HG12  ILE  57          HG12      ILE  57  14.332  18.245  -9.232
  434   HG13  ILE  57          HG13      ILE  57  15.283  19.648  -9.700
  435   HG21  ILE  57          HG21      ILE  57  15.399  18.238  -6.228
  436   HG22  ILE  57          HG22      ILE  57  14.072  19.168  -5.605
  437   HG23  ILE  57          HG23      ILE  57  13.758  17.876  -6.806
  438   HD11  ILE  57          HD11      ILE  57  16.169  17.239  -8.128
  439   HD12  ILE  57          HD12      ILE  57  16.897  17.975  -9.571
  440   HD13  ILE  57          HD13      ILE  57  17.040  18.777  -7.988
  441    H    SER  58           H        SER  58  13.471  22.979  -8.482
  442    HA   SER  58           HA       SER  58  14.142  24.408  -6.276
  443    HB2  SER  58           HB2      SER  58  11.849  25.399  -7.975
  444    HB3  SER  58           HB3      SER  58  13.237  26.288  -7.329
  445    HG   SER  58           HG       SER  58  13.017  24.502  -9.500
  446    H    GLY  59           H        GLY  59  10.859  23.167  -7.026
  447    HA2  GLY  59           HA2      GLY  59   9.510  24.619  -4.961
  448    HA3  GLY  59           HA3      GLY  59   8.858  23.335  -5.986
  449    H    GLN  60           H        GLN  60  11.476  21.833  -4.589
  450    HA   GLN  60           HA       GLN  60  10.047  21.094  -2.130
  451    HB2  GLN  60           HB2      GLN  60  10.510  18.776  -2.521
  452    HB3  GLN  60           HB3      GLN  60   9.677  19.464  -3.926
  453    HG2  GLN  60           HG2      GLN  60  11.780  19.549  -5.181
  454    HG3  GLN  60           HG3      GLN  60  12.669  18.948  -3.780
  455   HE21  GLN  60          HE22      GLN  60  13.421  17.026  -4.607
  456   HE22  GLN  60          HE21      GLN  60  12.392  15.746  -5.233
  457    H    THR  61           H        THR  61  11.507  20.027  -0.514
  458    HA   THR  61           HA       THR  61  14.193  21.297  -0.540
  459    HB   THR  61           HB       THR  61  13.726  21.672   1.907
  460    HG1  THR  61           HG1      THR  61  12.004  20.323   2.322
  461   HG21  THR  61          HG21      THR  61  11.762  22.979  -0.017
  462   HG22  THR  61          HG22      THR  61  12.327  23.635   1.540
  463   HG23  THR  61          HG23      THR  61  13.470  23.443   0.197
  464    H    SER  62           H        SER  62  15.565  20.459   1.317
  465    HA   SER  62           HA       SER  62  15.883  17.583   0.954
  466    HB2  SER  62           HB2      SER  62  18.066  18.227   2.203
  467    HB3  SER  62           HB3      SER  62  17.822  18.811   0.553
  468    HG   SER  62           HG       SER  62  18.587  20.360   2.008
  469    H    ASP  63           H        ASP  63  16.766  16.367   2.904
  470    HA   ASP  63           HA       ASP  63  15.494  16.999   5.471
  471    HB2  ASP  63           HB2      ASP  63  13.881  15.783   3.592
  472    HB3  ASP  63           HB3      ASP  63  14.611  14.375   4.335
  473    HA   PRO  64           HA       PRO  64  19.092  14.310   6.257
  474    HB2  PRO  64           HB2      PRO  64  19.089  14.215   8.984
  475    HB3  PRO  64           HB3      PRO  64  19.524  15.693   8.078
  476    HG2  PRO  64           HG2      PRO  64  16.846  14.987   9.317
  477    HG3  PRO  64           HG3      PRO  64  17.759  16.522   9.461
  478    HD2  PRO  64           HD2      PRO  64  15.732  16.181   7.648
  479    HD3  PRO  64           HD3      PRO  64  17.158  17.192   7.284
  480    H    ILE  65           H        ILE  65  19.514  12.115   6.823
  481    HA   ILE  65           HA       ILE  65  17.462  10.210   6.623
  482    HB   ILE  65           HB       ILE  65  19.825   9.867   6.166
  483   HG12  ILE  65          HG12      ILE  65  18.597   7.823   8.055
  484   HG13  ILE  65          HG13      ILE  65  18.147   8.073   6.360
  485   HG21  ILE  65          HG21      ILE  65  20.847  10.886   8.211
  486   HG22  ILE  65          HG22      ILE  65  20.219   9.528   9.178
  487   HG23  ILE  65          HG23      ILE  65  21.419   9.246   7.918
  488   HD11  ILE  65          HD11      ILE  65  20.647   7.734   5.837
  489   HD12  ILE  65          HD12      ILE  65  20.750   7.017   7.461
  490   HD13  ILE  65          HD13      ILE  65  19.663   6.314   6.239
  491    H    GLU  66           H        GLU  66  18.831  11.777   9.476
  492    HA   GLU  66           HA       GLU  66  18.006  10.106  11.504
  493    HB2  GLU  66           HB2      GLU  66  18.144  13.148  11.655
  494    HB3  GLU  66           HB3      GLU  66  18.391  11.993  12.969
  495    HG2  GLU  66           HG2      GLU  66  20.415  11.124  11.654
  496    HG3  GLU  66           HG3      GLU  66  20.218  12.513  10.577
  497    H    ASN  67           H        ASN  67  15.991  12.199   9.589
  498    HA   ASN  67           HA       ASN  67  13.903  12.558  11.594
  499    HB2  ASN  67           HB2      ASN  67  14.548  14.245   9.829
  500    HB3  ASN  67           HB3      ASN  67  13.910  13.136   8.616
  501   HD21  ASN  67          HD22      ASN  67  12.413  14.727   7.953
  502   HD22  ASN  67          HD21      ASN  67  10.953  15.078   8.883
  503    H    PHE  68           H        PHE  68  14.749   9.808   9.717
  504    HA   PHE  68           HA       PHE  68  11.921   8.908   9.576
  505    HB2  PHE  68           HB2      PHE  68  14.211   8.379   7.652
  506    HB3  PHE  68           HB3      PHE  68  12.560   7.768   7.534
  507    HD1  PHE  68           HD1      PHE  68  10.693   9.248   6.925
  508    HD2  PHE  68           HD2      PHE  68  14.778  10.629   6.957
  509    HE1  PHE  68           HE1      PHE  68  10.022  11.287   5.649
  510    HE2  PHE  68           HE2      PHE  68  14.121  12.628   5.670
  511    HZ   PHE  68           HZ       PHE  68  11.738  12.979   5.021
  512    H    ASN  69           H        ASN  69  12.025   6.511   8.986
  513    HA   ASN  69           HA       ASN  69  14.073   4.905  10.348
  514    HB2  ASN  69           HB2      ASN  69  12.124   3.325  10.990
  515    HB3  ASN  69           HB3      ASN  69  12.478   4.697  12.033
  516   HD21  ASN  69          HD22      ASN  69  10.553   4.885   8.942
  517   HD22  ASN  69          HD21      ASN  69   9.067   5.310   9.768
  518    H    ALA  70           H        ALA  70  14.470   3.058   9.187
  519    HA   ALA  70           HA       ALA  70  13.849   3.095   6.367
  520    HB1  ALA  70           HB1      ALA  70  15.082   0.851   8.007
  521    HB2  ALA  70           HB2      ALA  70  15.219   1.108   6.259
  522    HB3  ALA  70           HB3      ALA  70  16.001   2.237   7.385
  523    H    ASP  71           H        ASP  71  12.415   1.558   9.185
  524    HA   ASP  71           HA       ASP  71  11.320  -0.753   8.040
  525    HB2  ASP  71           HB2      ASP  71  11.455  -0.327  10.450
  526    HB3  ASP  71           HB3      ASP  71  10.288   0.991  10.308
  527    H    ASP  72           H        ASP  72  10.280   2.575   7.630
  528    HA   ASP  72           HA       ASP  72   7.557   1.891   6.862
  529    HB2  ASP  72           HB2      ASP  72   8.099   3.956   8.120
  530    HB3  ASP  72           HB3      ASP  72   9.084   4.518   6.762
  531    H    TYR  73           H        TYR  73  10.683   1.977   5.377
  532    HA   TYR  73           HA       TYR  73   9.655   2.592   2.741
  533    HB2  TYR  73           HB2      TYR  73  12.464   2.536   3.858
  534    HB3  TYR  73           HB3      TYR  73  12.075   2.773   2.156
  535    HD1  TYR  73           HD1      TYR  73  10.755   4.765   1.415
  536    HD2  TYR  73           HD2      TYR  73  12.190   4.369   5.452
  537    HE1  TYR  73           HE1      TYR  73  10.297   7.157   1.802
  538    HE2  TYR  73           HE2      TYR  73  11.805   6.780   5.868
  539    HH   TYR  73           HH       TYR  73  10.999   8.811   4.885
  540    H    ASP  74           H        ASP  74   9.355   0.974   1.321
  541    HA   ASP  74           HA       ASP  74   9.900  -1.806   2.161
  542    HB2  ASP  74           HB2      ASP  74   7.813  -1.057   0.876
  543    HB3  ASP  74           HB3      ASP  74   8.861  -0.819  -0.515
  544    H    VAL  75           H        VAL  75  11.253   0.730   0.131
  545    HA   VAL  75           HA       VAL  75  13.465  -1.106  -0.660
  546    HB   VAL  75           HB       VAL  75  12.275  -1.326  -2.506
  547   HG11  VAL  75          HG11      VAL  75  10.882   0.290  -3.734
  548   HG12  VAL  75          HG12      VAL  75  10.267  -0.288  -2.194
  549   HG13  VAL  75          HG13      VAL  75  10.971   1.326  -2.306
  550   HG21  VAL  75          HG21      VAL  75  14.445  -0.251  -3.117
  551   HG22  VAL  75          HG22      VAL  75  13.178  -0.191  -4.340
  552   HG23  VAL  75          HG23      VAL  75  13.542   1.262  -3.372
  553    H    VAL  76           H        VAL  76  15.461  -0.310  -0.552
  554    HA   VAL  76           HA       VAL  76  15.766   2.612  -0.081
  555    HB   VAL  76           HB       VAL  76  17.706   1.737   1.363
  556   HG11  VAL  76          HG11      VAL  76  14.825   1.429   2.300
  557   HG12  VAL  76          HG12      VAL  76  16.245   1.580   3.359
  558   HG13  VAL  76          HG13      VAL  76  15.798   2.919   2.293
  559   HG21  VAL  76          HG21      VAL  76  15.970  -0.747   1.545
  560   HG22  VAL  76          HG22      VAL  76  17.570  -0.668   0.792
  561   HG23  VAL  76          HG23      VAL  76  17.387  -0.383   2.527
  562    H    ILE  77           H        ILE  77  17.082   3.623  -1.410
  563    HA   ILE  77           HA       ILE  77  19.154   2.120  -2.903
  564    HB   ILE  77           HB       ILE  77  17.734   4.738  -3.494
  565   HG12  ILE  77          HG12      ILE  77  16.146   2.945  -3.835
  566   HG13  ILE  77          HG13      ILE  77  16.657   3.629  -5.368
  567   HG21  ILE  77          HG21      ILE  77  19.962   4.818  -4.420
  568   HG22  ILE  77          HG22      ILE  77  19.791   3.205  -5.124
  569   HG23  ILE  77          HG23      ILE  77  18.821   4.567  -5.733
  570   HD11  ILE  77          HD11      ILE  77  17.803   1.059  -4.196
  571   HD12  ILE  77          HD12      ILE  77  16.496   1.126  -5.399
  572   HD13  ILE  77          HD13      ILE  77  18.116   1.727  -5.805
  573    H    SER  78           H        SER  78  21.156   2.681  -2.598
  574    HA   SER  78           HA       SER  78  21.787   5.114  -0.980
  575    HB2  SER  78           HB2      SER  78  23.317   2.554  -1.427
  576    HB3  SER  78           HB3      SER  78  24.080   4.056  -0.822
  577    HG   SER  78           HG       SER  78  23.363   2.737   0.865
  578    H    LEU  79           H        LEU  79  23.176   6.608  -1.789
  579    HA   LEU  79           HA       LEU  79  24.562   6.367  -4.316
  580    HB2  LEU  79           HB2      LEU  79  23.207   8.624  -4.981
  581    HB3  LEU  79           HB3      LEU  79  22.965   7.029  -5.638
  582    HG   LEU  79           HG       LEU  79  21.082   6.756  -3.862
  583   HD11  LEU  79          HD11      LEU  79  20.138   8.821  -3.009
  584   HD12  LEU  79          HD12      LEU  79  21.813   8.679  -2.537
  585   HD13  LEU  79          HD13      LEU  79  21.378   9.780  -3.851
  586   HD21  LEU  79          HD21      LEU  79  20.795   8.781  -6.123
  587   HD22  LEU  79          HD22      LEU  79  20.615   7.019  -6.238
  588   HD23  LEU  79          HD23      LEU  79  19.461   7.960  -5.292
  589    H    CYS  80           H        CYS  80  25.739   6.537  -2.055
  590    HA   CYS  80           HA       CYS  80  26.303   9.164  -1.012
  591    HB2  CYS  80           HB2      CYS  80  27.917   6.576  -1.072
  592    HB3  CYS  80           HB3      CYS  80  28.347   8.016  -0.139
  593    HG   CYS  80           HG       CYS  80  27.280   6.220   1.458
  594    H    GLY  81           H        GLY  81  27.768   7.193  -3.581
  595    HA2  GLY  81           HA2      GLY  81  28.298   8.545  -5.662
  596    HA3  GLY  81           HA3      GLY  81  29.354   9.514  -4.575
  597    H    CYS  82           H        CYS  82  30.800   8.158  -3.121
  598    HA   CYS  82           HA       CYS  82  32.188   6.048  -4.586
  599    HB2  CYS  82           HB2      CYS  82  32.384   6.979  -1.668
  600    HB3  CYS  82           HB3      CYS  82  33.502   5.873  -2.480
  601    HG   CYS  82           HG       CYS  82  34.644   8.207  -2.199
  602    H    GLY  83           H        GLY  83  32.295   3.864  -3.472
  603    HA2  GLY  83           HA2      GLY  83  29.587   2.894  -3.219
  604    HA3  GLY  83           HA3      GLY  83  31.064   1.909  -3.227
  605    H    VAL  84           H        VAL  84  30.072   4.542  -0.998
  606    HA   VAL  84           HA       VAL  84  30.611   3.020   1.393
  607    HB   VAL  84           HB       VAL  84  29.442   5.723   0.857
  608   HG11  VAL  84          HG11      VAL  84  29.817   6.235   3.267
  609   HG12  VAL  84          HG12      VAL  84  28.570   5.017   3.038
  610   HG13  VAL  84          HG13      VAL  84  30.203   4.526   3.554
  611   HG21  VAL  84          HG21      VAL  84  31.648   6.516   1.777
  612   HG22  VAL  84          HG22      VAL  84  32.180   4.831   1.852
  613   HG23  VAL  84          HG23      VAL  84  31.824   5.589   0.288
  614    H    ASN  85           H        ASN  85  28.892   2.549   2.931
  615    HA   ASN  85           HA       ASN  85  26.252   1.921   1.714
  616    HB2  ASN  85           HB2      ASN  85  28.070   0.002   1.648
  617    HB3  ASN  85           HB3      ASN  85  27.753  -0.129   3.374
  618   HD21  ASN  85          HD22      ASN  85  26.469  -0.663   0.117
  619   HD22  ASN  85          HD21      ASN  85  25.004  -1.472   0.622
  620    H    LEU  86           H        LEU  86  25.005   0.690   3.760
  621    HA   LEU  86           HA       LEU  86  24.912   2.807   5.882
  622    HB2  LEU  86           HB2      LEU  86  22.558   1.439   4.545
  623    HB3  LEU  86           HB3      LEU  86  22.532   2.737   5.734
  624    HG   LEU  86           HG       LEU  86  23.494   2.939   2.841
  625   HD11  LEU  86          HD11      LEU  86  21.036   4.106   4.211
  626   HD12  LEU  86          HD12      LEU  86  21.479   4.243   2.500
  627   HD13  LEU  86          HD13      LEU  86  21.036   2.671   3.151
  628   HD21  LEU  86          HD21      LEU  86  23.569   5.378   3.216
  629   HD22  LEU  86          HD22      LEU  86  23.255   5.127   4.950
  630   HD23  LEU  86          HD23      LEU  86  24.759   4.531   4.203
  631    HA   PRO  87           HA       PRO  87  25.520  -1.205   8.047
  632    HB2  PRO  87           HB2      PRO  87  25.787   0.846  10.247
  633    HB3  PRO  87           HB3      PRO  87  26.680  -0.686  10.014
  634    HG2  PRO  87           HG2      PRO  87  27.807   1.678   9.301
  635    HG3  PRO  87           HG3      PRO  87  27.974   0.241   8.242
  636    HD2  PRO  87           HD2      PRO  87  26.101   2.589   7.938
  637    HD3  PRO  87           HD3      PRO  87  27.033   1.705   6.694
  638    HA   PRO  88           HA       PRO  88  21.822  -0.123  10.891
  639    HB2  PRO  88           HB2      PRO  88  20.339   2.088   9.573
  640    HB3  PRO  88           HB3      PRO  88  20.754   1.890  11.293
  641    HG2  PRO  88           HG2      PRO  88  21.969   3.727   9.651
  642    HG3  PRO  88           HG3      PRO  88  22.826   2.918  11.007
  643    HD2  PRO  88           HD2      PRO  88  22.968   2.287   8.065
  644    HD3  PRO  88           HD3      PRO  88  24.250   2.277   9.301
  645    H    GLU  89           H        GLU  89  19.289  -0.054  10.587
  646    HA   GLU  89           HA       GLU  89  18.272  -2.041   9.028
  647    HB2  GLU  89           HB2      GLU  89  16.077  -0.858   9.434
  648    HB3  GLU  89           HB3      GLU  89  17.069  -1.193  10.860
  649    HG2  GLU  89           HG2      GLU  89  17.812   1.152  10.943
  650    HG3  GLU  89           HG3      GLU  89  16.956   1.505   9.448
  651    H    TRP  90           H        TRP  90  19.146   1.034   7.853
  652    HA   TRP  90           HA       TRP  90  17.550   1.214   5.501
  653    HB2  TRP  90           HB2      TRP  90  20.288   2.371   6.121
  654    HB3  TRP  90           HB3      TRP  90  19.242   2.833   4.773
  655    HD1  TRP  90           HD1      TRP  90  19.931   3.740   8.299
  656    HE1  TRP  90           HE1      TRP  90  18.251   5.413   9.176
  657    HE3  TRP  90           HE3      TRP  90  16.671   3.609   4.394
  658    HZ2  TRP  90           HZ2      TRP  90  15.695   6.589   8.255
  659    HZ3  TRP  90           HZ3      TRP  90  14.619   5.001   4.403
  660    HH2  TRP  90           HH2      TRP  90  14.135   6.487   6.314
  661    H    VAL  91           H        VAL  91  19.631  -1.257   6.232
  662    HA   VAL  91           HA       VAL  91  19.908  -1.810   3.351
  663    HB   VAL  91           HB       VAL  91  22.044  -1.239   4.565
  664   HG11  VAL  91          HG11      VAL  91  21.857  -4.084   5.654
  665   HG12  VAL  91          HG12      VAL  91  23.206  -2.945   5.836
  666   HG13  VAL  91          HG13      VAL  91  21.674  -2.618   6.633
  667   HG21  VAL  91          HG21      VAL  91  22.005  -3.878   3.079
  668   HG22  VAL  91          HG22      VAL  91  22.071  -2.250   2.369
  669   HG23  VAL  91          HG23      VAL  91  23.407  -2.838   3.363
  670    H    THR  92           H        THR  92  17.997  -2.660   5.879
  671    HA   THR  92           HA       THR  92  18.019  -5.531   5.151
  672    HB   THR  92           HB       THR  92  17.347  -5.974   7.479
  673    HG1  THR  92           HG1      THR  92  16.348  -4.139   8.110
  674   HG21  THR  92          HG21      THR  92  19.815  -4.183   7.474
  675   HG22  THR  92          HG22      THR  92  19.431  -5.504   8.590
  676   HG23  THR  92          HG23      THR  92  19.797  -5.867   6.894
  677    H    GLN  93           H        GLN  93  16.484  -3.374   3.894
  678    HA   GLN  93           HA       GLN  93  13.696  -4.219   4.484
  679    HB2  GLN  93           HB2      GLN  93  14.570  -2.061   2.549
  680    HB3  GLN  93           HB3      GLN  93  12.952  -2.388   3.152
  681    HG2  GLN  93           HG2      GLN  93  15.290  -1.223   4.696
  682    HG3  GLN  93           HG3      GLN  93  13.776  -0.439   4.296
  683   HE21  GLN  93          HE22      GLN  93  15.371  -1.603   6.883
  684   HE22  GLN  93          HE21      GLN  93  14.043  -2.240   7.838
  685    H    GLU  94           H        GLU  94  12.496  -4.155   2.065
  686    HA   GLU  94           HA       GLU  94  13.166  -6.772   1.202
  687    HB2  GLU  94           HB2      GLU  94  11.266  -4.694   0.069
  688    HB3  GLU  94           HB3      GLU  94  11.361  -6.348  -0.529
  689    HG2  GLU  94           HG2      GLU  94  10.583  -5.512   2.294
  690    HG3  GLU  94           HG3      GLU  94   9.498  -6.082   1.027
  691    H    ILE  95           H        ILE  95  14.006  -3.625  -0.181
  692    HA   ILE  95           HA       ILE  95  15.657  -5.061  -2.235
  693    HB   ILE  95           HB       ILE  95  13.861  -2.694  -2.586
  694   HG12  ILE  95          HG12      ILE  95  13.870  -5.548  -3.621
  695   HG13  ILE  95          HG13      ILE  95  12.585  -4.684  -2.765
  696   HG21  ILE  95          HG21      ILE  95  16.027  -2.275  -3.763
  697   HG22  ILE  95          HG22      ILE  95  15.869  -3.841  -4.591
  698   HG23  ILE  95          HG23      ILE  95  14.733  -2.512  -4.909
  699   HD11  ILE  95          HD11      ILE  95  13.477  -4.344  -5.630
  700   HD12  ILE  95          HD12      ILE  95  11.911  -4.925  -5.032
  701   HD13  ILE  95          HD13      ILE  95  12.365  -3.213  -4.809
  702    H    PHE  96           H        PHE  96  17.744  -4.202  -2.345
  703    HA   PHE  96           HA       PHE  96  18.290  -1.577  -1.269
  704    HB2  PHE  96           HB2      PHE  96  18.973  -2.914   0.625
  705    HB3  PHE  96           HB3      PHE  96  19.824  -4.055  -0.428
  706    HD1  PHE  96           HD2      PHE  96  19.801  -0.516   0.793
  707    HD2  PHE  96           HD1      PHE  96  22.020  -3.530  -1.359
  708    HE1  PHE  96           HE2      PHE  96  21.689   1.043   0.536
  709    HE2  PHE  96           HE1      PHE  96  23.892  -1.927  -1.657
  710    HZ   PHE  96           HZ       PHE  96  23.747   0.347  -0.649
  711    H    GLU  97           H        GLU  97  19.631  -0.524  -2.676
  712    HA   GLU  97           HA       GLU  97  21.514  -2.015  -4.370
  713    HB2  GLU  97           HB2      GLU  97  19.381  -0.090  -5.358
  714    HB3  GLU  97           HB3      GLU  97  20.909  -0.273  -6.210
  715    HG2  GLU  97           HG2      GLU  97  20.511  -2.562  -6.685
  716    HG3  GLU  97           HG3      GLU  97  19.063  -2.604  -5.660
  717    H    ASP  98           H        ASP  98  23.230  -0.664  -4.969
  718    HA   ASP  98           HA       ASP  98  23.369   2.043  -3.795
  719    HB2  ASP  98           HB2      ASP  98  24.947   0.692  -2.542
  720    HB3  ASP  98           HB3      ASP  98  25.628   0.036  -4.038
  721    H    TRP  99           H        TRP  99  23.827   3.621  -5.228
  722    HA   TRP  99           HA       TRP  99  24.325   2.877  -8.075
  723    HB2  TRP  99           HB2      TRP  99  22.755   5.184  -6.874
  724    HB3  TRP  99           HB3      TRP  99  23.067   4.933  -8.571
  725    HD1  TRP  99           HD1      TRP  99  22.039   1.592  -7.282
  726    HE1  TRP  99           HE1      TRP  99  19.616   1.140  -7.858
  727    HE3  TRP  99           HE3      TRP  99  20.644   6.356  -8.504
  728    HZ2  TRP  99           HZ2      TRP  99  17.196   2.747  -8.388
  729    HZ3  TRP  99           HZ3      TRP  99  18.268   6.880  -8.969
  730    HH2  TRP  99           HH2      TRP  99  16.565   5.100  -8.892
  731    H    GLN 100           H        GLN 100  26.503   3.075  -8.159
  732    HA   GLN 100           HA       GLN 100  28.031   5.168  -6.893
  733    HB2  GLN 100           HB2      GLN 100  28.837   2.889  -7.239
  734    HB3  GLN 100           HB3      GLN 100  28.731   3.057  -8.990
  735    HG2  GLN 100           HG2      GLN 100  30.558   4.599  -9.064
  736    HG3  GLN 100           HG3      GLN 100  30.477   4.908  -7.334
  737   HE21  GLN 100          HE22      GLN 100  30.856   2.951  -5.860
  738   HE22  GLN 100          HE21      GLN 100  32.117   1.845  -6.348
  739    H    LEU 101           H        LEU 101  26.976   7.055  -7.642
  740    HA   LEU 101           HA       LEU 101  27.253   7.762 -10.530
  741    HB2  LEU 101           HB2      LEU 101  25.390   8.546  -8.276
  742    HB3  LEU 101           HB3      LEU 101  25.619   9.655  -9.602
  743    HG   LEU 101           HG       LEU 101  24.403   8.506 -11.078
  744   HD11  LEU 101          HD11      LEU 101  25.745   6.527 -11.361
  745   HD12  LEU 101          HD12      LEU 101  25.089   5.820  -9.860
  746   HD13  LEU 101          HD13      LEU 101  24.039   6.096 -11.264
  747   HD21  LEU 101          HD21      LEU 101  22.459   7.438 -10.004
  748   HD22  LEU 101          HD22      LEU 101  23.384   7.263  -8.493
  749   HD23  LEU 101          HD23      LEU 101  22.985   8.875  -9.103
  750    H    GLU 102           H        GLU 102  27.944   9.767 -11.103
  751    HA   GLU 102           HA       GLU 102  30.128  10.754  -9.536
  752    HB2  GLU 102           HB2      GLU 102  29.101  11.528 -12.294
  753    HB3  GLU 102           HB3      GLU 102  30.532  12.248 -11.536
  754    HG2  GLU 102           HG2      GLU 102  31.555   9.996 -11.322
  755    HG3  GLU 102           HG3      GLU 102  30.172   9.291 -12.166
  756    H    ASP 103           H        ASP 103  28.688  11.222  -7.819
  757    HA   ASP 103           HA       ASP 103  26.958  12.860  -7.045
  758    HB2  ASP 103           HB2      ASP 103  28.331  11.999  -5.438
  759    HB3  ASP 103           HB3      ASP 103  29.751  12.910  -6.002
  760    HA   PRO 104           HA       PRO 104  27.580  16.260  -9.839
  761    HB2  PRO 104           HB2      PRO 104  24.755  16.881  -9.081
  762    HB3  PRO 104           HB3      PRO 104  25.558  16.868 -10.692
  763    HG2  PRO 104           HG2      PRO 104  24.014  14.775  -9.908
  764    HG3  PRO 104           HG3      PRO 104  25.552  14.534 -10.804
  765    HD2  PRO 104           HD2      PRO 104  25.039  14.224  -7.843
  766    HD3  PRO 104           HD3      PRO 104  26.044  13.221  -8.947
  767    H    ASP 105           H        ASP 105  27.180  16.593  -6.462
  768    HA   ASP 105           HA       ASP 105  26.612  19.331  -6.146
  769    HB2  ASP 105           HB2      ASP 105  26.529  17.514  -4.425
  770    HB3  ASP 105           HB3      ASP 105  28.280  17.552  -4.345
  771    H    GLY 106           H        GLY 106  27.754  20.435  -7.742
  772    HA2  GLY 106           HA2      GLY 106  29.269  22.291  -7.731
  773    HA3  GLY 106           HA3      GLY 106  30.492  21.294  -6.942
  774    H    GLN 107           H        GLN 107  28.758  19.721  -9.586
  775    HA   GLN 107           HA       GLN 107  31.345  19.579 -10.973
  776    HB2  GLN 107           HB2      GLN 107  28.786  18.075 -11.573
  777    HB3  GLN 107           HB3      GLN 107  30.425  17.665 -12.093
  778    HG2  GLN 107           HG2      GLN 107  29.466  17.646  -9.223
  779    HG3  GLN 107           HG3      GLN 107  29.557  16.254 -10.302
  780   HE21  GLN 107          HE22      GLN 107  30.721  15.649  -8.218
  781   HE22  GLN 107          HE21      GLN 107  32.481  15.757  -8.296
  782    H    SER 108           H        SER 108  31.017  19.068 -13.445
  783    HA   SER 108           HA       SER 108  30.252  21.528 -14.795
  784    HB2  SER 108           HB2      SER 108  31.290  18.823 -15.754
  785    HB3  SER 108           HB3      SER 108  31.208  20.301 -16.737
  786    HG   SER 108           HG       SER 108  33.300  19.961 -15.848
  787    H    LEU 109           H        LEU 109  28.719  21.547 -16.596
  788    HA   LEU 109           HA       LEU 109  26.240  20.348 -16.047
  789    HB2  LEU 109           HB2      LEU 109  27.324  21.396 -18.693
  790    HB3  LEU 109           HB3      LEU 109  25.639  20.971 -18.413
  791    HG   LEU 109           HG       LEU 109  27.149  23.144 -16.904
  792   HD11  LEU 109          HD11      LEU 109  26.771  23.714 -19.276
  793   HD12  LEU 109          HD12      LEU 109  25.039  23.359 -19.098
  794   HD13  LEU 109          HD13      LEU 109  25.773  24.716 -18.213
  795   HD21  LEU 109          HD21      LEU 109  25.356  22.258 -15.497
  796   HD22  LEU 109          HD22      LEU 109  24.873  23.833 -16.119
  797   HD23  LEU 109          HD23      LEU 109  24.198  22.356 -16.841
  798    H    GLU 110           H        GLU 110  28.849  19.167 -18.177
  799    HA   GLU 110           HA       GLU 110  27.317  17.105 -19.341
  800    HB2  GLU 110           HB2      GLU 110  29.614  18.052 -20.040
  801    HB3  GLU 110           HB3      GLU 110  30.306  16.986 -18.817
  802    HG2  GLU 110           HG2      GLU 110  30.484  15.782 -20.820
  803    HG3  GLU 110           HG3      GLU 110  29.088  15.055 -20.035
  804    H    VAL 111           H        VAL 111  29.111  17.209 -16.251
  805    HA   VAL 111           HA       VAL 111  28.849  14.395 -15.648
  806    HB   VAL 111           HB       VAL 111  29.257  16.795 -13.850
  807   HG11  VAL 111          HG11      VAL 111  28.404  15.059 -12.436
  808   HG12  VAL 111          HG12      VAL 111  29.399  13.824 -13.247
  809   HG13  VAL 111          HG13      VAL 111  30.156  15.054 -12.222
  810   HG21  VAL 111          HG21      VAL 111  31.252  14.760 -14.942
  811   HG22  VAL 111          HG22      VAL 111  31.130  16.455 -15.452
  812   HG23  VAL 111          HG23      VAL 111  31.629  16.069 -13.803
  813    H    PHE 112           H        PHE 112  27.003  17.372 -14.863
  814    HA   PHE 112           HA       PHE 112  24.944  16.187 -13.328
  815    HB2  PHE 112           HB2      PHE 112  25.233  18.680 -14.995
  816    HB3  PHE 112           HB3      PHE 112  23.638  18.172 -14.545
  817    HD1  PHE 112           HD2      PHE 112  22.917  18.012 -12.166
  818    HD2  PHE 112           HD1      PHE 112  26.737  19.635 -13.346
  819    HE1  PHE 112           HE2      PHE 112  23.158  19.083  -9.940
  820    HE2  PHE 112           HE1      PHE 112  26.990  20.652 -11.102
  821    HZ   PHE 112           HZ       PHE 112  25.250  20.316  -9.405
  822    H    ARG 113           H        ARG 113  25.041  16.780 -16.895
  823    HA   ARG 113           HA       ARG 113  22.553  15.569 -17.497
  824    HB2  ARG 113           HB2      ARG 113  25.130  16.082 -19.015
  825    HB3  ARG 113           HB3      ARG 113  23.869  15.123 -19.783
  826    HG2  ARG 113           HG2      ARG 113  22.412  16.862 -20.019
  827    HG3  ARG 113           HG3      ARG 113  22.951  17.684 -18.566
  828    HD2  ARG 113           HD2      ARG 113  23.472  18.936 -20.650
  829    HD3  ARG 113           HD3      ARG 113  24.853  18.617 -19.615
  830    HE   ARG 113           HE       ARG 113  25.791  17.171 -21.176
  831   HH11  ARG 113          HH11      ARG 113  22.556  18.088 -22.367
  832   HH12  ARG 113          HH12      ARG 113  22.830  17.409 -23.930
  833   HH21  ARG 113          HH21      ARG 113  26.142  16.345 -23.067
  834   HH22  ARG 113          HH22      ARG 113  24.978  16.362 -24.383
  835    H    THR 114           H        THR 114  25.844  14.047 -17.277
  836    HA   THR 114           HA       THR 114  25.021  11.515 -18.180
  837    HB   THR 114           HB       THR 114  27.256  12.395 -16.285
  838    HG1  THR 114           HG1      THR 114  27.504  13.413 -18.202
  839   HG21  THR 114          HG21      THR 114  26.908   9.865 -17.924
  840   HG22  THR 114          HG22      THR 114  28.405  10.355 -17.082
  841   HG23  THR 114          HG23      THR 114  26.941   9.998 -16.147
  842    H    VAL 115           H        VAL 115  25.376  12.803 -14.796
  843    HA   VAL 115           HA       VAL 115  24.361  10.439 -13.608
  844    HB   VAL 115           HB       VAL 115  24.606  13.240 -12.593
  845   HG11  VAL 115          HG11      VAL 115  24.418  12.187 -10.282
  846   HG12  VAL 115          HG12      VAL 115  22.906  12.227 -11.189
  847   HG13  VAL 115          HG13      VAL 115  23.832  10.719 -11.075
  848   HG21  VAL 115          HG21      VAL 115  26.751  12.128 -13.096
  849   HG22  VAL 115          HG22      VAL 115  26.539  12.267 -11.353
  850   HG23  VAL 115          HG23      VAL 115  26.249  10.708 -12.155
  851    H    ARG 116           H        ARG 116  22.640  13.454 -14.671
  852    HA   ARG 116           HA       ARG 116  20.171  12.745 -13.515
  853    HB2  ARG 116           HB2      ARG 116  20.767  14.957 -14.394
  854    HB3  ARG 116           HB3      ARG 116  20.771  14.376 -16.039
  855    HG2  ARG 116           HG2      ARG 116  18.336  14.044 -14.266
  856    HG3  ARG 116           HG3      ARG 116  18.683  15.619 -14.876
  857    HD2  ARG 116           HD2      ARG 116  17.408  13.382 -16.244
  858    HD3  ARG 116           HD3      ARG 116  17.266  15.134 -16.491
  859    HE   ARG 116           HE       ARG 116  18.972  13.239 -17.921
  860   HH11  ARG 116          HH21      ARG 116  18.200  16.667 -17.391
  861   HH12  ARG 116          HH22      ARG 116  19.386  17.224 -18.542
  862   HH21  ARG 116          HH11      ARG 116  20.424  14.047 -19.568
  863   HH22  ARG 116          HH12      ARG 116  20.474  15.750 -19.877
  864    H    GLY 117           H        GLY 117  21.490  11.904 -16.749
  865    HA2  GLY 117           HA2      GLY 117  19.248  10.356 -17.584
  866    HA3  GLY 117           HA3      GLY 117  20.924  10.181 -18.165
  867    H    GLN 118           H        GLN 118  22.305   9.374 -15.862
  868    HA   GLN 118           HA       GLN 118  21.765   6.610 -15.805
  869    HB2  GLN 118           HB2      GLN 118  23.318   8.445 -13.940
  870    HB3  GLN 118           HB3      GLN 118  23.271   6.704 -13.702
  871    HG2  GLN 118           HG2      GLN 118  24.303   6.282 -15.842
  872    HG3  GLN 118           HG3      GLN 118  24.262   7.983 -16.281
  873   HE21  GLN 118          HE22      GLN 118  26.651   6.292 -16.151
  874   HE22  GLN 118          HE21      GLN 118  27.693   6.999 -14.943
  875    H    VAL 119           H        VAL 119  21.086   9.091 -13.365
  876    HA   VAL 119           HA       VAL 119  19.760   7.562 -11.429
  877    HB   VAL 119           HB       VAL 119  19.511  10.503 -12.238
  878   HG11  VAL 119          HG11      VAL 119  17.420   9.966 -11.136
  879   HG12  VAL 119          HG12      VAL 119  18.276   9.108  -9.845
  880   HG13  VAL 119          HG13      VAL 119  18.450  10.873 -10.022
  881   HG21  VAL 119          HG21      VAL 119  21.689   9.624 -11.178
  882   HG22  VAL 119          HG22      VAL 119  20.874  10.909 -10.273
  883   HG23  VAL 119          HG23      VAL 119  20.728   9.222  -9.745
  884    H    LYS 120           H        LYS 120  18.268   9.406 -14.223
  885    HA   LYS 120           HA       LYS 120  15.635   8.689 -13.432
  886    HB2  LYS 120           HB2      LYS 120  16.055  10.531 -14.972
  887    HB3  LYS 120           HB3      LYS 120  16.806   9.444 -16.152
  888    HG2  LYS 120           HG2      LYS 120  14.676   8.311 -16.546
  889    HG3  LYS 120           HG3      LYS 120  13.881   9.295 -15.296
  890    HD2  LYS 120           HD2      LYS 120  14.335  11.337 -16.594
  891    HD3  LYS 120           HD3      LYS 120  15.179  10.409 -17.835
  892    HE2  LYS 120           HE2      LYS 120  12.242  10.028 -17.076
  893    HE3  LYS 120           HE3      LYS 120  12.805  11.050 -18.402
  894    HZ1  LYS 120           HZ1      LYS 120  13.787   9.053 -19.416
  895    HZ2  LYS 120           HZ2      LYS 120  13.156   8.100 -18.230
  896    HZ3  LYS 120           HZ3      LYS 120  12.175   8.918 -19.243
  897    H    GLU 121           H        GLU 121  17.876   7.099 -15.691
  898    HA   GLU 121           HA       GLU 121  16.167   5.000 -16.498
  899    HB2  GLU 121           HB2      GLU 121  18.061   4.980 -17.794
  900    HB3  GLU 121           HB3      GLU 121  19.020   5.756 -16.527
  901    HG2  GLU 121           HG2      GLU 121  19.623   3.835 -15.480
  902    HG3  GLU 121           HG3      GLU 121  18.515   2.803 -16.423
  903    H    ARG 122           H        ARG 122  18.327   5.319 -13.654
  904    HA   ARG 122           HA       ARG 122  17.874   2.579 -12.818
  905    HB2  ARG 122           HB2      ARG 122  19.129   4.992 -11.473
  906    HB3  ARG 122           HB3      ARG 122  18.934   3.423 -10.673
  907    HG2  ARG 122           HG2      ARG 122  20.411   2.294 -11.980
  908    HG3  ARG 122           HG3      ARG 122  20.215   3.387 -13.339
  909    HD2  ARG 122           HD2      ARG 122  21.461   5.169 -12.044
  910    HD3  ARG 122           HD3      ARG 122  21.691   4.002 -10.743
  911    HE   ARG 122           HE       ARG 122  23.453   3.129 -11.876
  912   HH11  ARG 122          HH11      ARG 122  21.382   4.688 -14.282
  913   HH12  ARG 122          HH12      ARG 122  22.242   4.094 -15.658
  914   HH21  ARG 122          HH21      ARG 122  24.790   2.547 -13.679
  915   HH22  ARG 122          HH22      ARG 122  24.351   3.028 -15.274
  916    H    VAL 123           H        VAL 123  16.440   5.736 -11.587
  917    HA   VAL 123           HA       VAL 123  14.584   4.663  -9.888
  918    HB   VAL 123           HB       VAL 123  14.254   6.918 -11.911
  919   HG11  VAL 123          HG11      VAL 123  12.634   6.225  -9.425
  920   HG12  VAL 123          HG12      VAL 123  12.534   7.736 -10.373
  921   HG13  VAL 123          HG13      VAL 123  12.048   6.207 -11.095
  922   HG21  VAL 123          HG21      VAL 123  15.015   6.989  -8.962
  923   HG22  VAL 123          HG22      VAL 123  16.127   7.296 -10.283
  924   HG23  VAL 123          HG23      VAL 123  14.776   8.391 -10.017
  925    H    GLU 124           H        GLU 124  14.186   4.944 -13.527
  926    HA   GLU 124           HA       GLU 124  11.625   3.748 -13.559
  927    HB2  GLU 124           HB2      GLU 124  13.829   3.812 -15.675
  928    HB3  GLU 124           HB3      GLU 124  12.220   3.145 -15.963
  929    HG2  GLU 124           HG2      GLU 124  11.228   5.365 -15.378
  930    HG3  GLU 124           HG3      GLU 124  12.868   6.016 -15.232
  931    H    ASN 125           H        ASN 125  14.847   2.315 -13.726
  932    HA   ASN 125           HA       ASN 125  14.072  -0.360 -14.235
  933    HB2  ASN 125           HB2      ASN 125  16.423   0.844 -14.259
  934    HB3  ASN 125           HB3      ASN 125  16.501   0.391 -12.562
  935   HD21  ASN 125          HD22      ASN 125  17.151  -0.558 -15.729
  936   HD22  ASN 125          HD21      ASN 125  17.385  -2.270 -15.457
  937    H    LEU 126           H        LEU 126  14.623   1.404 -11.197
  938    HA   LEU 126           HA       LEU 126  14.056  -0.820  -9.545
  939    HB2  LEU 126           HB2      LEU 126  14.808   0.354  -7.868
  940    HB3  LEU 126           HB3      LEU 126  15.300   1.497  -9.090
  941    HG   LEU 126           HG       LEU 126  12.903   2.539  -8.688
  942   HD11  LEU 126          HD11      LEU 126  13.427   1.273  -5.976
  943   HD12  LEU 126          HD12      LEU 126  12.009   2.216  -6.482
  944   HD13  LEU 126          HD13      LEU 126  12.280   0.575  -7.108
  945   HD21  LEU 126          HD21      LEU 126  15.062   3.624  -8.143
  946   HD22  LEU 126          HD22      LEU 126  13.811   3.992  -6.952
  947   HD23  LEU 126          HD23      LEU 126  15.072   2.789  -6.592
  948    H    ILE 127           H        ILE 127  11.915   1.863 -10.564
  949    HA   ILE 127           HA       ILE 127   9.548   1.004  -9.308
  950    HB   ILE 127           HB       ILE 127  10.123   2.386 -11.956
  951   HG12  ILE 127          HG12      ILE 127   8.700   3.443  -9.472
  952   HG13  ILE 127          HG13      ILE 127  10.451   3.576  -9.681
  953   HG21  ILE 127          HG21      ILE 127   7.637   2.904 -12.041
  954   HG22  ILE 127          HG22      ILE 127   8.043   1.220 -12.337
  955   HG23  ILE 127          HG23      ILE 127   7.416   1.696 -10.749
  956   HD11  ILE 127          HD11      ILE 127  10.040   4.882 -11.808
  957   HD12  ILE 127          HD12      ILE 127   8.310   4.914 -11.403
  958   HD13  ILE 127          HD13      ILE 127   9.478   5.673 -10.325
  959    H    ALA 128           H        ALA 128  11.135  -0.239 -12.311
  960    HA   ALA 128           HA       ALA 128   8.872  -1.702 -13.172
  961    HB1  ALA 128           HB1      ALA 128  10.829  -1.179 -14.612
  962    HB2  ALA 128           HB2      ALA 128  11.804  -2.356 -13.701
  963    HB3  ALA 128           HB3      ALA 128  10.409  -2.903 -14.645
  964    H    LYS 129           H        LYS 129  11.342  -2.493 -10.813
  965    HA   LYS 129           HA       LYS 129  10.819  -5.284 -10.541
  966    HB2  LYS 129           HB2      LYS 129  12.100  -3.247  -8.714
  967    HB3  LYS 129           HB3      LYS 129  12.149  -5.000  -8.445
  968    HG2  LYS 129           HG2      LYS 129  13.371  -5.327 -10.550
  969    HG3  LYS 129           HG3      LYS 129  13.186  -3.627 -10.964
  970    HD2  LYS 129           HD2      LYS 129  14.430  -3.204  -8.663
  971    HD3  LYS 129           HD3      LYS 129  14.965  -4.888  -8.913
  972    HE2  LYS 129           HE2      LYS 129  15.500  -4.024 -11.365
  973    HE3  LYS 129           HE3      LYS 129  15.374  -2.414 -10.641
  974    HZ1  LYS 129           HZ1      LYS 129  17.169  -3.030  -9.126
  975    HZ2  LYS 129           HZ2      LYS 129  17.279  -4.526  -9.804
  976    HZ3  LYS 129           HZ3      LYS 129  17.644  -3.201 -10.686
  977    H    ILE 130           H        ILE 130   9.758  -2.366  -8.745
  978    HA   ILE 130           HA       ILE 130   8.281  -3.919  -6.836
  979    HB   ILE 130           HB       ILE 130   7.735  -1.597  -5.962
  980   HG12  ILE 130          HG12      ILE 130   9.629  -0.689  -8.047
  981   HG13  ILE 130          HG13      ILE 130   7.967  -0.176  -7.795
  982   HG21  ILE 130          HG21      ILE 130   9.889  -1.525  -4.819
  983   HG22  ILE 130          HG22      ILE 130   9.605  -3.212  -5.205
  984   HG23  ILE 130          HG23      ILE 130  10.706  -2.254  -6.220
  985   HD11  ILE 130          HD11      ILE 130   8.688   0.853  -5.617
  986   HD12  ILE 130          HD12      ILE 130  10.354   0.376  -5.979
  987   HD13  ILE 130          HD13      ILE 130   9.552   1.534  -7.026
  988    H    SER 131           H        SER 131   7.480  -2.057  -9.621
  989    HA   SER 131           HA       SER 131   4.845  -1.419  -9.460
  990    HB2  SER 131           HB2      SER 131   6.318  -2.700 -11.801
  991    HB3  SER 131           HB3      SER 131   4.710  -1.961 -11.924
  992    HG   SER 131           HG       SER 131   7.164  -0.749 -11.159
  Start of MODEL    7
    1    H    MET   1           H        MET   1   1.655  -1.670  -3.588
    2    HA   MET   1           HA       MET   1   2.497   0.476  -4.151
    3    HB2  MET   1           HB2      MET   1   0.807   1.830  -3.050
    4    HB3  MET   1           HB3      MET   1   1.334   1.299  -1.450
    5    HG2  MET   1           HG2      MET   1   3.406   2.483  -1.630
    6    HG3  MET   1           HG3      MET   1   3.172   2.791  -3.347
    7    HE1  MET   1           HE1      MET   1   0.700   5.724  -3.540
    8    HE2  MET   1           HE2      MET   1   2.016   4.871  -4.365
    9    HE3  MET   1           HE3      MET   1   0.511   4.011  -3.961
   10    H    LYS   2           H        LYS   2   4.653   1.004  -3.637
   11    HA   LYS   2           HA       LYS   2   5.967  -0.424  -1.348
   12    HB2  LYS   2           HB2      LYS   2   6.934  -0.106  -4.231
   13    HB3  LYS   2           HB3      LYS   2   7.924  -0.697  -2.910
   14    HG2  LYS   2           HG2      LYS   2   5.435  -2.079  -4.038
   15    HG3  LYS   2           HG3      LYS   2   7.114  -2.498  -4.340
   16    HD2  LYS   2           HD2      LYS   2   7.122  -2.573  -1.648
   17    HD3  LYS   2           HD3      LYS   2   5.457  -3.082  -1.952
   18    HE2  LYS   2           HE2      LYS   2   6.258  -4.918  -3.399
   19    HE3  LYS   2           HE3      LYS   2   7.908  -4.279  -3.326
   20    HZ1  LYS   2           HZ1      LYS   2   7.886  -4.725  -0.927
   21    HZ2  LYS   2           HZ2      LYS   2   6.462  -5.556  -1.098
   22    HZ3  LYS   2           HZ3      LYS   2   7.863  -6.045  -1.839
   23    H    LYS   3           H        LYS   3   7.465   0.840  -0.289
   24    HA   LYS   3           HA       LYS   3   7.470   3.696  -1.071
   25    HB2  LYS   3           HB2      LYS   3   7.641   2.220   1.547
   26    HB3  LYS   3           HB3      LYS   3   8.585   3.692   1.417
   27    HG2  LYS   3           HG2      LYS   3   6.746   5.012   0.678
   28    HG3  LYS   3           HG3      LYS   3   5.665   3.602   0.566
   29    HD2  LYS   3           HD2      LYS   3   5.697   3.330   2.983
   30    HD3  LYS   3           HD3      LYS   3   6.975   4.564   3.142
   31    HE2  LYS   3           HE2      LYS   3   5.463   6.280   2.265
   32    HE3  LYS   3           HE3      LYS   3   4.167   5.084   2.078
   33    HZ1  LYS   3           HZ1      LYS   3   5.457   5.723   4.669
   34    HZ2  LYS   3           HZ2      LYS   3   4.041   6.412   4.165
   35    HZ3  LYS   3           HZ3      LYS   3   4.130   4.802   4.452
   36    H    VAL   4           H        VAL   4   9.161   4.519  -2.099
   37    HA   VAL   4           HA       VAL   4  11.759   3.123  -1.809
   38    HB   VAL   4           HB       VAL   4  10.880   3.358  -4.062
   39   HG11  VAL   4          HG11      VAL   4   9.610   5.446  -3.940
   40   HG12  VAL   4          HG12      VAL   4  11.134   6.363  -3.772
   41   HG13  VAL   4          HG13      VAL   4  10.792   5.473  -5.259
   42   HG21  VAL   4          HG21      VAL   4  13.332   5.142  -3.667
   43   HG22  VAL   4          HG22      VAL   4  13.364   3.369  -3.668
   44   HG23  VAL   4          HG23      VAL   4  12.883   4.254  -5.121
   45    H    MET   5           H        MET   5  13.439   3.994  -0.941
   46    HA   MET   5           HA       MET   5  13.401   6.933  -0.274
   47    HB2  MET   5           HB2      MET   5  13.322   5.604   1.776
   48    HB3  MET   5           HB3      MET   5  14.701   4.642   1.229
   49    HG2  MET   5           HG2      MET   5  15.490   6.288   2.819
   50    HG3  MET   5           HG3      MET   5  16.099   6.671   1.231
   51    HE1  MET   5           HE1      MET   5  13.335   9.196   3.855
   52    HE2  MET   5           HE2      MET   5  13.262   7.420   3.761
   53    HE3  MET   5           HE3      MET   5  14.725   8.212   4.364
   54    H    PHE   6           H        PHE   6  15.136   8.104  -0.959
   55    HA   PHE   6           HA       PHE   6  17.401   6.706  -2.314
   56    HB2  PHE   6           HB2      PHE   6  16.477   9.507  -2.808
   57    HB3  PHE   6           HB3      PHE   6  17.827   8.649  -3.569
   58    HD1  PHE   6           HD1      PHE   6  17.431   6.808  -5.158
   59    HD2  PHE   6           HD2      PHE   6  14.160   9.045  -3.436
   60    HE1  PHE   6           HE1      PHE   6  15.902   5.907  -6.920
   61    HE2  PHE   6           HE2      PHE   6  12.636   8.059  -5.144
   62    HZ   PHE   6           HZ       PHE   6  13.499   6.514  -6.863
   63    H    VAL   7           H        VAL   7  19.382   6.949  -1.092
   64    HA   VAL   7           HA       VAL   7  19.398   8.970   1.119
   65    HB   VAL   7           HB       VAL   7  20.601   6.158   1.188
   66   HG11  VAL   7          HG11      VAL   7  21.646   7.766   2.718
   67   HG12  VAL   7          HG12      VAL   7  20.052   8.225   3.362
   68   HG13  VAL   7          HG13      VAL   7  20.701   6.593   3.624
   69   HG21  VAL   7          HG21      VAL   7  17.948   7.010   2.366
   70   HG22  VAL   7          HG22      VAL   7  18.211   5.797   1.075
   71   HG23  VAL   7          HG23      VAL   7  18.785   5.487   2.711
   72    H    CYS   8           H        CYS   8  21.223  10.320   1.006
   73    HA   CYS   8           HA       CYS   8  23.589   9.249  -0.471
   74    HB2  CYS   8           HB2      CYS   8  22.017  10.741  -1.840
   75    HB3  CYS   8           HB3      CYS   8  22.386  12.038  -0.718
   76    HG   CYS   8           HG       CYS   8  23.818  12.693  -2.559
   77    H    LYS   9           H        LYS   9  25.566  10.226  -0.112
   78    HA   LYS   9           HA       LYS   9  26.237  10.985   2.560
   79    HB2  LYS   9           HB2      LYS   9  27.570  10.714  -0.105
   80    HB3  LYS   9           HB3      LYS   9  28.252  12.002   0.899
   81    HG2  LYS   9           HG2      LYS   9  28.575  10.426   2.758
   82    HG3  LYS   9           HG3      LYS   9  27.869   9.113   1.790
   83    HD2  LYS   9           HD2      LYS   9  29.686   9.309   0.148
   84    HD3  LYS   9           HD3      LYS   9  30.347  10.716   1.012
   85    HE2  LYS   9           HE2      LYS   9  30.644   9.257   3.048
   86    HE3  LYS   9           HE3      LYS   9  30.145   7.864   2.082
   87    HZ1  LYS   9           HZ1      LYS   9  32.073   8.299   0.633
   88    HZ2  LYS   9           HZ2      LYS   9  32.518   9.569   1.559
   89    HZ3  LYS   9           HZ3      LYS   9  32.553   8.067   2.177
   90    H    ARG  10           H        ARG  10  24.856  12.816  -0.079
   91    HA   ARG  10           HA       ARG  10  24.436  15.072   1.649
   92    HB2  ARG  10           HB2      ARG  10  25.011  16.692  -0.241
   93    HB3  ARG  10           HB3      ARG  10  26.330  16.098   0.757
   94    HG2  ARG  10           HG2      ARG  10  27.146  14.645  -0.975
   95    HG3  ARG  10           HG3      ARG  10  25.738  14.912  -2.002
   96    HD2  ARG  10           HD2      ARG  10  26.394  17.001  -2.662
   97    HD3  ARG  10           HD3      ARG  10  27.196  17.386  -1.148
   98    HE   ARG  10           HE       ARG  10  28.326  15.969  -3.479
   99   HH11  ARG  10          HH12      ARG  10  28.850  17.034  -0.102
  100   HH12  ARG  10          HH11      ARG  10  30.564  16.883  -0.185
  101   HH21  ARG  10          HH21      ARG  10  30.534  15.744  -3.560
  102   HH22  ARG  10          HH22      ARG  10  31.575  16.141  -2.211
  103    H    ASN  11           H        ASN  11  22.350  14.781   1.558
  104    HA   ASN  11           HA       ASN  11  20.691  13.570  -0.267
  105    HB2  ASN  11           HB2      ASN  11  19.856  14.365   1.879
  106    HB3  ASN  11           HB3      ASN  11  19.999  16.043   1.347
  107   HD21  ASN  11          HD22      ASN  11  18.520  12.948   0.071
  108   HD22  ASN  11          HD21      ASN  11  17.066  13.745  -0.522
  109    H    SER  12           H        SER  12  21.917  16.850  -0.399
  110    HA   SER  12           HA       SER  12  20.394  18.384  -1.833
  111    HB2  SER  12           HB2      SER  12  23.405  18.188  -2.187
  112    HB3  SER  12           HB3      SER  12  22.428  19.657  -2.209
  113    HG   SER  12           HG       SER  12  21.955  19.281   0.001
  114    H    CYS  13           H        CYS  13  22.145  15.768  -3.507
  115    HA   CYS  13           HA       CYS  13  21.473  17.087  -6.113
  116    HB2  CYS  13           HB2      CYS  13  23.724  16.236  -6.900
  117    HB3  CYS  13           HB3      CYS  13  23.765  17.561  -5.736
  118    HG   CYS  13           HG       CYS  13  25.778  15.879  -5.209
  119    H    ARG  14           H        ARG  14  23.049  13.994  -5.350
  120    HA   ARG  14           HA       ARG  14  22.050  12.691  -7.585
  121    HB2  ARG  14           HB2      ARG  14  23.059  11.568  -4.949
  122    HB3  ARG  14           HB3      ARG  14  22.692  10.542  -6.343
  123    HG2  ARG  14           HG2      ARG  14  24.374  11.440  -7.672
  124    HG3  ARG  14           HG3      ARG  14  24.535  12.915  -6.726
  125    HD2  ARG  14           HD2      ARG  14  25.152  10.298  -5.393
  126    HD3  ARG  14           HD3      ARG  14  26.318  10.952  -6.544
  127    HE   ARG  14           HE       ARG  14  25.791  13.117  -4.922
  128   HH11  ARG  14          HH21      ARG  14  26.711   9.811  -4.093
  129   HH12  ARG  14          HH22      ARG  14  28.014  10.258  -3.048
  130   HH21  ARG  14          HH11      ARG  14  27.407  13.752  -3.511
  131   HH22  ARG  14          HH12      ARG  14  28.226  12.597  -2.490
  132    H    SER  15           H        SER  15  20.921  12.403  -4.195
  133    HA   SER  15           HA       SER  15  18.705  10.692  -4.558
  134    HB2  SER  15           HB2      SER  15  18.213  12.250  -2.295
  135    HB3  SER  15           HB3      SER  15  19.101  10.726  -2.346
  136    HG   SER  15           HG       SER  15  20.095  13.385  -2.368
  137    H    GLN  16           H        GLN  16  18.879  14.306  -4.341
  138    HA   GLN  16           HA       GLN  16  16.075  14.699  -4.259
  139    HB2  GLN  16           HB2      GLN  16  18.482  16.407  -4.930
  140    HB3  GLN  16           HB3      GLN  16  16.881  17.058  -5.226
  141    HG2  GLN  16           HG2      GLN  16  17.690  15.868  -2.550
  142    HG3  GLN  16           HG3      GLN  16  17.916  17.564  -2.940
  143   HE21  GLN  16          HE22      GLN  16  16.389  16.664  -0.768
  144   HE22  GLN  16          HE21      GLN  16  14.738  17.217  -1.012
  145    H    MET  17           H        MET  17  18.307  14.592  -7.084
  146    HA   MET  17           HA       MET  17  16.256  15.052  -9.043
  147    HB2  MET  17           HB2      MET  17  18.976  13.699  -9.074
  148    HB3  MET  17           HB3      MET  17  17.912  13.656 -10.473
  149    HG2  MET  17           HG2      MET  17  17.711  16.209 -10.232
  150    HG3  MET  17           HG3      MET  17  19.127  16.106  -9.180
  151    HE1  MET  17           HE1      MET  17  21.538  15.754 -10.029
  152    HE2  MET  17           HE2      MET  17  21.064  14.080 -10.410
  153    HE3  MET  17           HE3      MET  17  21.952  15.049 -11.610
  154    H    ALA  18           H        ALA  18  17.554  11.984  -7.626
  155    HA   ALA  18           HA       ALA  18  15.987  10.256  -9.201
  156    HB1  ALA  18           HB1      ALA  18  16.808   9.770  -6.310
  157    HB2  ALA  18           HB2      ALA  18  16.526   8.576  -7.594
  158    HB3  ALA  18           HB3      ALA  18  17.938   9.643  -7.672
  159    H    GLU  19           H        GLU  19  15.223  11.923  -6.184
  160    HA   GLU  19           HA       GLU  19  12.719  10.687  -5.595
  161    HB2  GLU  19           HB2      GLU  19  14.283  12.088  -4.167
  162    HB3  GLU  19           HB3      GLU  19  13.671  13.526  -4.935
  163    HG2  GLU  19           HG2      GLU  19  12.018  11.524  -3.340
  164    HG3  GLU  19           HG3      GLU  19  12.750  12.965  -2.670
  165    H    GLY  20           H        GLY  20  13.471  13.812  -7.300
  166    HA2  GLY  20           HA2      GLY  20  10.843  14.452  -8.028
  167    HA3  GLY  20           HA3      GLY  20  12.307  14.960  -8.879
  168    H    PHE  21           H        PHE  21  13.252  12.425  -9.888
  169    HA   PHE  21           HA       PHE  21  11.412  12.061 -12.083
  170    HB2  PHE  21           HB2      PHE  21  13.752  10.303 -11.260
  171    HB3  PHE  21           HB3      PHE  21  12.846  10.157 -12.762
  172    HD1  PHE  21           HD1      PHE  21  12.593  12.644 -14.038
  173    HD2  PHE  21           HD2      PHE  21  15.835  11.305 -11.539
  174    HE1  PHE  21           HE1      PHE  21  13.991  14.547 -14.815
  175    HE2  PHE  21           HE2      PHE  21  17.253  13.158 -12.415
  176    HZ   PHE  21           HZ       PHE  21  16.304  14.804 -13.995
  177    H    ALA  22           H        ALA  22  12.156  10.017  -9.208
  178    HA   ALA  22           HA       ALA  22  10.416   7.898  -9.899
  179    HB1  ALA  22           HB1      ALA  22  12.163   7.694  -8.189
  180    HB2  ALA  22           HB2      ALA  22  11.350   8.869  -7.172
  181    HB3  ALA  22           HB3      ALA  22  10.581   7.292  -7.484
  182    H    LYS  23           H        LYS  23   9.616  10.940  -8.119
  183    HA   LYS  23           HA       LYS  23   6.959   9.929  -7.719
  184    HB2  LYS  23           HB2      LYS  23   6.404  11.890  -6.689
  185    HB3  LYS  23           HB3      LYS  23   8.116  11.704  -6.319
  186    HG2  LYS  23           HG2      LYS  23   8.635  13.332  -8.157
  187    HG3  LYS  23           HG3      LYS  23   6.882  13.583  -8.349
  188    HD2  LYS  23           HD2      LYS  23   6.868  14.053  -5.785
  189    HD3  LYS  23           HD3      LYS  23   8.636  14.158  -5.924
  190    HE2  LYS  23           HE2      LYS  23   8.306  15.844  -7.784
  191    HE3  LYS  23           HE3      LYS  23   6.559  15.753  -7.474
  192    HZ1  LYS  23           HZ1      LYS  23   8.630  16.726  -5.556
  193    HZ2  LYS  23           HZ2      LYS  23   7.531  17.646  -6.336
  194    HZ3  LYS  23           HZ3      LYS  23   7.029  16.582  -5.209
  195    H    THR  24           H        THR  24   8.503  11.689 -10.436
  196    HA   THR  24           HA       THR  24   5.929  12.289 -11.564
  197    HB   THR  24           HB       THR  24   8.715  11.977 -12.867
  198    HG1  THR  24           HG1      THR  24   8.882  13.538 -11.303
  199   HG21  THR  24          HG21      THR  24   6.239  13.495 -13.761
  200   HG22  THR  24          HG22      THR  24   7.841  13.587 -14.541
  201   HG23  THR  24          HG23      THR  24   6.957  12.055 -14.527
  202    H    LEU  25           H        LEU  25   8.304   9.701 -11.867
  203    HA   LEU  25           HA       LEU  25   7.013   8.260 -13.963
  204    HB2  LEU  25           HB2      LEU  25   9.201   7.517 -11.996
  205    HB3  LEU  25           HB3      LEU  25   8.735   6.532 -13.383
  206    HG   LEU  25           HG       LEU  25   9.804   9.396 -13.607
  207   HD11  LEU  25          HD11      LEU  25  11.190   6.707 -13.876
  208   HD12  LEU  25          HD12      LEU  25  11.872   8.251 -14.451
  209   HD13  LEU  25          HD13      LEU  25  11.526   8.027 -12.736
  210   HD21  LEU  25          HD21      LEU  25   8.419   8.770 -15.544
  211   HD22  LEU  25          HD22      LEU  25  10.122   8.789 -16.000
  212   HD23  LEU  25          HD23      LEU  25   9.305   7.236 -15.712
  213    H    GLY  26           H        GLY  26   6.940   7.968 -10.432
  214    HA2  GLY  26           HA2      GLY  26   4.881   5.831 -10.745
  215    HA3  GLY  26           HA3      GLY  26   6.276   5.734  -9.670
  216    H    ALA  27           H        ALA  27   5.000   8.934  -9.395
  217    HA   ALA  27           HA       ALA  27   3.801   8.470  -6.868
  218    HB1  ALA  27           HB1      ALA  27   4.473  10.763  -7.471
  219    HB2  ALA  27           HB2      ALA  27   3.382  10.775  -8.862
  220    HB3  ALA  27           HB3      ALA  27   2.729  10.744  -7.208
  221    H    GLY  28           H        GLY  28   2.084   7.281  -6.453
  222    HA2  GLY  28           HA2      GLY  28  -0.420   7.181  -6.794
  223    HA3  GLY  28           HA3      GLY  28  -0.058   6.933  -8.509
  224    H    LYS  29           H        LYS  29   2.434   5.288  -7.762
  225    HA   LYS  29           HA       LYS  29   1.111   2.869  -6.660
  226    HB2  LYS  29           HB2      LYS  29   2.349   1.535  -8.406
  227    HB3  LYS  29           HB3      LYS  29   0.925   2.443  -8.888
  228    HG2  LYS  29           HG2      LYS  29   2.360   2.735 -10.682
  229    HG3  LYS  29           HG3      LYS  29   2.471   4.250  -9.823
  230    HD2  LYS  29           HD2      LYS  29   4.695   3.667 -10.461
  231    HD3  LYS  29           HD3      LYS  29   4.572   3.413  -8.729
  232    HE2  LYS  29           HE2      LYS  29   5.790   1.563  -9.699
  233    HE3  LYS  29           HE3      LYS  29   4.223   0.928  -9.209
  234    HZ1  LYS  29           HZ1      LYS  29   4.808   1.821 -11.984
  235    HZ2  LYS  29           HZ2      LYS  29   5.009   0.289 -11.500
  236    HZ3  LYS  29           HZ3      LYS  29   3.509   0.957 -11.487
  237    H    ILE  30           H        ILE  30   3.929   4.908  -6.722
  238    HA   ILE  30           HA       ILE  30   4.930   3.295  -4.452
  239    HB   ILE  30           HB       ILE  30   7.224   4.007  -5.034
  240   HG12  ILE  30          HG12      ILE  30   6.362   4.497  -7.887
  241   HG13  ILE  30          HG13      ILE  30   6.434   5.837  -6.744
  242   HG21  ILE  30          HG21      ILE  30   7.568   2.258  -6.777
  243   HG22  ILE  30          HG22      ILE  30   6.506   1.750  -5.461
  244   HG23  ILE  30          HG23      ILE  30   5.817   2.175  -7.042
  245   HD11  ILE  30          HD11      ILE  30   8.489   5.639  -8.099
  246   HD12  ILE  30          HD12      ILE  30   8.779   5.512  -6.358
  247   HD13  ILE  30          HD13      ILE  30   8.828   4.053  -7.388
  248    H    ALA  31           H        ALA  31   5.724   4.530  -2.775
  249    HA   ALA  31           HA       ALA  31   5.171   7.467  -2.938
  250    HB1  ALA  31           HB1      ALA  31   4.995   5.513  -0.625
  251    HB2  ALA  31           HB2      ALA  31   5.117   7.275  -0.397
  252    HB3  ALA  31           HB3      ALA  31   3.737   6.577  -1.267
  253    H    VAL  32           H        VAL  32   6.945   8.583  -3.111
  254    HA   VAL  32           HA       VAL  32   9.553   7.416  -2.585
  255    HB   VAL  32           HB       VAL  32   9.294   7.808  -4.782
  256   HG11  VAL  32          HG11      VAL  32   8.146   9.464  -5.988
  257   HG12  VAL  32          HG12      VAL  32   7.045   8.575  -5.002
  258   HG13  VAL  32          HG13      VAL  32   7.542  10.223  -4.490
  259   HG21  VAL  32          HG21      VAL  32  10.035  10.640  -4.026
  260   HG22  VAL  32          HG22      VAL  32  11.178   9.274  -4.014
  261   HG23  VAL  32          HG23      VAL  32  10.426   9.827  -5.528
  262    H    THR  33           H        THR  33  11.080   8.458  -1.419
  263    HA   THR  33           HA       THR  33  10.845  11.274  -0.769
  264    HB   THR  33           HB       THR  33  10.971   9.058   1.341
  265    HG1  THR  33           HG1      THR  33   8.948  10.231   0.285
  266   HG21  THR  33          HG21      THR  33  11.267  12.062   1.763
  267   HG22  THR  33          HG22      THR  33  10.909  10.885   3.047
  268   HG23  THR  33          HG23      THR  33  12.438  10.786   2.184
  269    H    SER  34           H        SER  34  13.055  12.057  -0.087
  270    HA   SER  34           HA       SER  34  15.175  10.038  -0.238
  271    HB2  SER  34           HB2      SER  34  16.537  11.399  -1.536
  272    HB3  SER  34           HB3      SER  34  14.964  11.353  -2.341
  273    HG   SER  34           HG       SER  34  14.566  13.446  -1.639
  274    H    CYS  35           H        CYS  35  17.192  10.780   0.876
  275    HA   CYS  35           HA       CYS  35  16.946  12.947   2.744
  276    HB2  CYS  35           HB2      CYS  35  17.157  11.612   4.778
  277    HB3  CYS  35           HB3      CYS  35  15.677  11.152   3.938
  278    HG   CYS  35           HG       CYS  35  16.607   9.054   2.761
  279    H    GLY  36           H        GLY  36  19.172  12.306   4.357
  280    HA2  GLY  36           HA2      GLY  36  21.144  10.909   2.808
  281    HA3  GLY  36           HA3      GLY  36  21.459  12.655   2.842
  282    H    LEU  37           H        LEU  37  23.264  10.969   3.836
  283    HA   LEU  37           HA       LEU  37  23.182  10.199   6.548
  284    HB2  LEU  37           HB2      LEU  37  25.436  11.115   4.725
  285    HB3  LEU  37           HB3      LEU  37  25.727  10.772   6.422
  286    HG   LEU  37           HG       LEU  37  24.911   8.480   6.173
  287   HD11  LEU  37          HD11      LEU  37  24.722   9.061   3.194
  288   HD12  LEU  37          HD12      LEU  37  24.657   7.454   3.933
  289   HD13  LEU  37          HD13      LEU  37  23.379   8.613   4.280
  290   HD21  LEU  37          HD21      LEU  37  27.106   9.218   4.208
  291   HD22  LEU  37          HD22      LEU  37  27.304   8.995   5.958
  292   HD23  LEU  37          HD23      LEU  37  26.853   7.620   4.940
  293    H    GLU  38           H        GLU  38  23.753  13.344   5.078
  294    HA   GLU  38           HA       GLU  38  22.980  14.701   7.538
  295    HB2  GLU  38           HB2      GLU  38  25.509  15.383   5.939
  296    HB3  GLU  38           HB3      GLU  38  24.765  16.463   7.106
  297    HG2  GLU  38           HG2      GLU  38  26.020  13.753   7.710
  298    HG3  GLU  38           HG3      GLU  38  26.737  15.325   8.012
  299    H    SER  39           H        SER  39  21.750  16.568   6.915
  300    HA   SER  39           HA       SER  39  20.992  16.729   4.088
  301    HB2  SER  39           HB2      SER  39  19.452  18.549   5.136
  302    HB3  SER  39           HB3      SER  39  19.160  16.851   5.528
  303    HG   SER  39           HG       SER  39  19.158  18.314   7.363
  304    H    SER  40           H        SER  40  21.063  18.684   2.896
  305    HA   SER  40           HA       SER  40  22.165  21.148   3.795
  306    HB2  SER  40           HB2      SER  40  23.778  19.415   1.855
  307    HB3  SER  40           HB3      SER  40  23.952  21.178   1.953
  308    HG   SER  40           HG       SER  40  24.087  19.643   4.296
  309    H    ARG  41           H        ARG  41  21.579  22.769   2.093
  310    HA   ARG  41           HA       ARG  41  19.071  22.183   1.095
  311    HB2  ARG  41           HB2      ARG  41  19.053  24.319   0.048
  312    HB3  ARG  41           HB3      ARG  41  19.927  24.481   1.565
  313    HG2  ARG  41           HG2      ARG  41  22.070  24.591   0.389
  314    HG3  ARG  41           HG3      ARG  41  21.305  24.173  -1.153
  315    HD2  ARG  41           HD2      ARG  41  19.907  26.251  -0.996
  316    HD3  ARG  41           HD3      ARG  41  20.800  26.694   0.459
  317    HE   ARG  41           HE       ARG  41  22.602  27.319  -0.798
  318   HH11  ARG  41          HH21      ARG  41  20.523  25.373  -2.974
  319   HH12  ARG  41          HH22      ARG  41  21.110  26.134  -4.398
  320   HH21  ARG  41          HH11      ARG  41  23.503  28.148  -2.721
  321   HH22  ARG  41          HH12      ARG  41  22.938  27.638  -4.262
  322    H    VAL  42           H        VAL  42  18.226  22.269  -1.090
  323    HA   VAL  42           HA       VAL  42  19.397  20.238  -2.728
  324    HB   VAL  42           HB       VAL  42  17.208  22.222  -3.481
  325   HG11  VAL  42          HG11      VAL  42  16.515  20.403  -5.035
  326   HG12  VAL  42          HG12      VAL  42  18.139  21.002  -5.407
  327   HG13  VAL  42          HG13      VAL  42  17.946  19.458  -4.560
  328   HG21  VAL  42          HG21      VAL  42  15.649  20.347  -2.791
  329   HG22  VAL  42          HG22      VAL  42  17.043  19.542  -2.030
  330   HG23  VAL  42          HG23      VAL  42  16.493  21.111  -1.441
  331    H    HIS  43           H        HIS  43  20.715  20.405  -4.505
  332    HA   HIS  43           HA       HIS  43  22.245  22.815  -4.774
  333    HB2  HIS  43           HB2      HIS  43  22.979  20.343  -4.928
  334    HB3  HIS  43           HB3      HIS  43  22.276  20.333  -6.543
  335    HD1  HIS  43           HD1      HIS  43  23.850  21.350  -8.418
  336    HD2  HIS  43           HD2      HIS  43  25.082  22.103  -4.472
  337    HE1  HIS  43           HE1      HIS  43  26.145  22.455  -8.577
  338    HA   PRO  44           HA       PRO  44  19.533  24.634  -7.651
  339    HB2  PRO  44           HB2      PRO  44  21.008  26.564  -8.916
  340    HB3  PRO  44           HB3      PRO  44  20.636  26.619  -7.167
  341    HG2  PRO  44           HG2      PRO  44  23.181  25.679  -8.509
  342    HG3  PRO  44           HG3      PRO  44  23.006  26.726  -7.070
  343    HD2  PRO  44           HD2      PRO  44  23.492  24.008  -6.979
  344    HD3  PRO  44           HD3      PRO  44  22.634  24.881  -5.673
  345    H    THR  45           H        THR  45  22.591  23.759  -9.460
  346    HA   THR  45           HA       THR  45  21.285  23.802 -11.926
  347    HB   THR  45           HB       THR  45  23.641  22.133 -10.969
  348    HG1  THR  45           HG1      THR  45  24.889  23.950 -11.400
  349   HG21  THR  45          HG21      THR  45  23.133  23.248 -13.757
  350   HG22  THR  45          HG22      THR  45  24.626  22.433 -13.201
  351   HG23  THR  45          HG23      THR  45  23.116  21.531 -13.275
  352    H    ALA  46           H        ALA  46  20.930  21.489  -9.426
  353    HA   ALA  46           HA       ALA  46  20.142  19.134 -10.835
  354    HB1  ALA  46           HB1      ALA  46  18.788  20.277  -8.356
  355    HB2  ALA  46           HB2      ALA  46  19.082  18.576  -8.761
  356    HB3  ALA  46           HB3      ALA  46  20.467  19.591  -8.274
  357    H    ILE  47           H        ILE  47  18.479  22.226 -10.011
  358    HA   ILE  47           HA       ILE  47  15.878  21.473 -10.574
  359    HB   ILE  47           HB       ILE  47  17.352  24.120 -10.910
  360   HG12  ILE  47          HG12      ILE  47  15.574  23.326  -8.570
  361   HG13  ILE  47          HG13      ILE  47  17.297  23.001  -8.548
  362   HG21  ILE  47          HG21      ILE  47  15.327  24.196 -12.187
  363   HG22  ILE  47          HG22      ILE  47  14.390  23.605 -10.801
  364   HG23  ILE  47          HG23      ILE  47  15.169  25.210 -10.767
  365   HD11  ILE  47          HD11      ILE  47  17.798  25.399  -8.892
  366   HD12  ILE  47          HD12      ILE  47  16.069  25.769  -8.775
  367   HD13  ILE  47          HD13      ILE  47  16.898  25.062  -7.383
  368    H    ALA  48           H        ALA  48  18.519  22.811 -12.584
  369    HA   ALA  48           HA       ALA  48  17.068  23.252 -14.906
  370    HB1  ALA  48           HB1      ALA  48  20.037  22.607 -14.643
  371    HB2  ALA  48           HB2      ALA  48  19.257  23.438 -16.003
  372    HB3  ALA  48           HB3      ALA  48  19.314  24.215 -14.403
  373    H    MET  49           H        MET  49  18.871  20.381 -13.855
  374    HA   MET  49           HA       MET  49  18.627  18.837 -16.250
  375    HB2  MET  49           HB2      MET  49  18.763  18.034 -13.306
  376    HB3  MET  49           HB3      MET  49  18.806  16.863 -14.617
  377    HG2  MET  49           HG2      MET  49  20.772  19.133 -14.210
  378    HG3  MET  49           HG3      MET  49  21.030  17.423 -13.849
  379    HE1  MET  49           HE1      MET  49  21.141  20.064 -17.094
  380    HE2  MET  49           HE2      MET  49  22.304  19.879 -15.765
  381    HE3  MET  49           HE3      MET  49  22.695  19.223 -17.364
  382    H    MET  50           H        MET  50  16.495  19.106 -13.434
  383    HA   MET  50           HA       MET  50  14.614  17.145 -14.428
  384    HB2  MET  50           HB2      MET  50  14.453  19.195 -12.170
  385    HB3  MET  50           HB3      MET  50  13.246  17.950 -12.506
  386    HG2  MET  50           HG2      MET  50  15.562  16.441 -12.560
  387    HG3  MET  50           HG3      MET  50  16.023  17.677 -11.429
  388    HE1  MET  50           HE1      MET  50  13.573  14.237 -11.588
  389    HE2  MET  50           HE2      MET  50  12.200  15.275 -11.153
  390    HE3  MET  50           HE3      MET  50  13.168  15.646 -12.596
  391    H    GLU  51           H        GLU  51  14.910  20.718 -14.563
  392    HA   GLU  51           HA       GLU  51  12.470  21.182 -15.937
  393    HB2  GLU  51           HB2      GLU  51  15.132  22.606 -15.811
  394    HB3  GLU  51           HB3      GLU  51  13.853  23.173 -16.888
  395    HG2  GLU  51           HG2      GLU  51  12.298  23.280 -14.915
  396    HG3  GLU  51           HG3      GLU  51  13.663  22.931 -13.857
  397    H    GLU  52           H        GLU  52  15.588  19.918 -17.137
  398    HA   GLU  52           HA       GLU  52  14.914  20.203 -19.883
  399    HB2  GLU  52           HB2      GLU  52  16.653  17.967 -18.793
  400    HB3  GLU  52           HB3      GLU  52  16.581  18.581 -20.433
  401    HG2  GLU  52           HG2      GLU  52  17.251  20.884 -19.142
  402    HG3  GLU  52           HG3      GLU  52  17.961  19.693 -18.047
  403    H    VAL  53           H        VAL  53  14.129  17.720 -17.464
  404    HA   VAL  53           HA       VAL  53  12.785  16.051 -19.505
  405    HB   VAL  53           HB       VAL  53  12.922  15.822 -16.481
  406   HG11  VAL  53          HG11      VAL  53  12.183  13.466 -16.816
  407   HG12  VAL  53          HG12      VAL  53  10.922  14.612 -17.274
  408   HG13  VAL  53          HG13      VAL  53  11.883  13.811 -18.535
  409   HG21  VAL  53          HG21      VAL  53  15.095  15.523 -17.588
  410   HG22  VAL  53          HG22      VAL  53  14.500  13.944 -17.046
  411   HG23  VAL  53          HG23      VAL  53  14.383  14.392 -18.756
  412    H    GLY  54           H        GLY  54  11.900  18.667 -17.343
  413    HA2  GLY  54           HA2      GLY  54   9.935  19.981 -17.841
  414    HA3  GLY  54           HA3      GLY  54   9.057  18.513 -18.287
  415    H    ILE  55           H        ILE  55  11.202  18.752 -15.489
  416    HA   ILE  55           HA       ILE  55   8.905  18.677 -13.582
  417    HB   ILE  55           HB       ILE  55  11.450  17.036 -13.432
  418   HG12  ILE  55          HG12      ILE  55   8.752  15.724 -13.810
  419   HG13  ILE  55          HG13      ILE  55   9.609  16.291 -15.229
  420   HG21  ILE  55          HG21      ILE  55   8.993  17.164 -11.638
  421   HG22  ILE  55          HG22      ILE  55  10.037  15.747 -11.648
  422   HG23  ILE  55          HG23      ILE  55  10.715  17.286 -11.176
  423   HD11  ILE  55          HD11      ILE  55  11.608  15.058 -14.640
  424   HD12  ILE  55          HD12      ILE  55  10.779  14.339 -13.236
  425   HD13  ILE  55          HD13      ILE  55  10.204  13.999 -14.880
  426    H    ASP  56           H        ASP  56  10.199  19.069 -11.215
  427    HA   ASP  56           HA       ASP  56  12.217  21.204 -11.469
  428    HB2  ASP  56           HB2      ASP  56  10.167  22.486 -11.650
  429    HB3  ASP  56           HB3      ASP  56   9.406  21.557 -10.348
  430    H    ILE  57           H        ILE  57  13.207  21.624  -9.411
  431    HA   ILE  57           HA       ILE  57  12.370  19.949  -7.147
  432    HB   ILE  57           HB       ILE  57  15.245  20.376  -7.144
  433   HG12  ILE  57          HG12      ILE  57  14.192  18.364  -9.142
  434   HG13  ILE  57          HG13      ILE  57  15.151  19.780  -9.536
  435   HG21  ILE  57          HG21      ILE  57  13.508  17.929  -6.703
  436   HG22  ILE  57          HG22      ILE  57  15.192  18.114  -6.182
  437   HG23  ILE  57          HG23      ILE  57  13.985  19.130  -5.459
  438   HD11  ILE  57          HD11      ILE  57  16.767  18.114  -9.484
  439   HD12  ILE  57          HD12      ILE  57  16.902  18.819  -7.862
  440   HD13  ILE  57          HD13      ILE  57  16.031  17.290  -8.096
  441    H    SER  58           H        SER  58  13.339  23.072  -8.302
  442    HA   SER  58           HA       SER  58  14.168  24.482  -6.118
  443    HB2  SER  58           HB2      SER  58  11.819  25.527  -7.706
  444    HB3  SER  58           HB3      SER  58  13.249  26.386  -7.115
  445    HG   SER  58           HG       SER  58  12.912  24.616  -9.288
  446    H    GLY  59           H        GLY  59  10.850  23.264  -6.712
  447    HA2  GLY  59           HA2      GLY  59   9.588  24.777  -4.638
  448    HA3  GLY  59           HA3      GLY  59   8.897  23.453  -5.584
  449    H    GLN  60           H        GLN  60  11.586  22.009  -4.274
  450    HA   GLN  60           HA       GLN  60  10.262  21.311  -1.747
  451    HB2  GLN  60           HB2      GLN  60  10.673  18.981  -2.161
  452    HB3  GLN  60           HB3      GLN  60   9.750  19.700  -3.490
  453    HG2  GLN  60           HG2      GLN  60  11.761  19.735  -4.912
  454    HG3  GLN  60           HG3      GLN  60  12.724  19.072  -3.586
  455   HE21  GLN  60          HE22      GLN  60  13.275  17.059  -4.410
  456   HE22  GLN  60          HE21      GLN  60  12.038  15.834  -4.812
  457    H    THR  61           H        THR  61  11.753  20.153  -0.224
  458    HA   THR  61           HA       THR  61  14.416  21.457  -0.242
  459    HB   THR  61           HB       THR  61  13.928  21.567   2.270
  460    HG1  THR  61           HG1      THR  61  11.822  21.304   2.899
  461   HG21  THR  61          HG21      THR  61  12.535  23.570   2.050
  462   HG22  THR  61          HG22      THR  61  13.717  23.509   0.730
  463   HG23  THR  61          HG23      THR  61  12.019  23.065   0.421
  464    H    SER  62           H        SER  62  15.953  20.525   1.322
  465    HA   SER  62           HA       SER  62  16.179  17.638   1.020
  466    HB2  SER  62           HB2      SER  62  17.955  19.636   2.469
  467    HB3  SER  62           HB3      SER  62  18.392  17.993   1.967
  468    HG   SER  62           HG       SER  62  19.173  19.533   0.564
  469    H    ASP  63           H        ASP  63  16.736  16.252   2.894
  470    HA   ASP  63           HA       ASP  63  15.790  17.150   5.541
  471    HB2  ASP  63           HB2      ASP  63  13.838  16.176   3.959
  472    HB3  ASP  63           HB3      ASP  63  14.514  14.632   4.473
  473    HA   PRO  64           HA       PRO  64  19.034  14.179   6.378
  474    HB2  PRO  64           HB2      PRO  64  19.014  14.017   9.089
  475    HB3  PRO  64           HB3      PRO  64  19.451  15.526   8.238
  476    HG2  PRO  64           HG2      PRO  64  16.781  14.774   9.459
  477    HG3  PRO  64           HG3      PRO  64  17.679  16.313   9.627
  478    HD2  PRO  64           HD2      PRO  64  15.638  15.928   7.817
  479    HD3  PRO  64           HD3      PRO  64  17.001  17.048   7.511
  480    H    ILE  65           H        ILE  65  19.381  11.987   6.823
  481    HA   ILE  65           HA       ILE  65  17.276  10.129   6.634
  482    HB   ILE  65           HB       ILE  65  19.594   9.716   6.074
  483   HG12  ILE  65          HG12      ILE  65  18.455   7.701   8.058
  484   HG13  ILE  65          HG13      ILE  65  17.874   7.951   6.404
  485   HG21  ILE  65          HG21      ILE  65  20.724  10.723   8.087
  486   HG22  ILE  65          HG22      ILE  65  20.170   9.333   9.047
  487   HG23  ILE  65          HG23      ILE  65  21.291   9.105   7.697
  488   HD11  ILE  65          HD11      ILE  65  20.566   6.888   7.282
  489   HD12  ILE  65          HD12      ILE  65  19.344   6.132   6.233
  490   HD13  ILE  65          HD13      ILE  65  20.268   7.528   5.650
  491    H    GLU  66           H        GLU  66  18.763  11.591   9.464
  492    HA   GLU  66           HA       GLU  66  17.942   9.962  11.517
  493    HB2  GLU  66           HB2      GLU  66  18.086  13.003  11.649
  494    HB3  GLU  66           HB3      GLU  66  18.374  11.848  12.953
  495    HG2  GLU  66           HG2      GLU  66  20.368  10.997  11.554
  496    HG3  GLU  66           HG3      GLU  66  20.150  12.426  10.534
  497    H    ASN  67           H        ASN  67  15.913  12.080   9.614
  498    HA   ASN  67           HA       ASN  67  13.880  12.469  11.666
  499    HB2  ASN  67           HB2      ASN  67  14.502  14.151   9.893
  500    HB3  ASN  67           HB3      ASN  67  13.819  13.055   8.690
  501   HD21  ASN  67          HD22      ASN  67  12.261  14.562   8.046
  502   HD22  ASN  67          HD21      ASN  67  10.861  14.973   9.044
  503    H    PHE  68           H        PHE  68  14.605   9.749   9.658
  504    HA   PHE  68           HA       PHE  68  11.751   8.903   9.625
  505    HB2  PHE  68           HB2      PHE  68  14.024   8.389   7.680
  506    HB3  PHE  68           HB3      PHE  68  12.405   7.684   7.587
  507    HD1  PHE  68           HD1      PHE  68  10.443   9.076   7.077
  508    HD2  PHE  68           HD2      PHE  68  14.471  10.595   6.827
  509    HE1  PHE  68           HE1      PHE  68   9.628  11.042   5.764
  510    HE2  PHE  68           HE2      PHE  68  13.672  12.503   5.466
  511    HZ   PHE  68           HZ       PHE  68  11.250  12.752   4.961
  512    H    ASN  69           H        ASN  69  11.779   6.484   9.075
  513    HA   ASN  69           HA       ASN  69  13.783   4.868  10.513
  514    HB2  ASN  69           HB2      ASN  69  11.785   3.306  11.051
  515    HB3  ASN  69           HB3      ASN  69  12.099   4.678  12.109
  516   HD21  ASN  69          HD22      ASN  69  10.334   4.810   8.915
  517   HD22  ASN  69          HD21      ASN  69   8.816   5.286   9.652
  518    H    ALA  70           H        ALA  70  14.257   3.018   9.389
  519    HA   ALA  70           HA       ALA  70  13.739   3.063   6.541
  520    HB1  ALA  70           HB1      ALA  70  15.012   0.841   8.193
  521    HB2  ALA  70           HB2      ALA  70  15.249   1.213   6.468
  522    HB3  ALA  70           HB3      ALA  70  15.880   2.306   7.711
  523    H    ASP  71           H        ASP  71  12.219   1.486   9.259
  524    HA   ASP  71           HA       ASP  71  11.252  -0.866   8.068
  525    HB2  ASP  71           HB2      ASP  71  11.264  -0.421  10.484
  526    HB3  ASP  71           HB3      ASP  71  10.061   0.855  10.276
  527    H    ASP  72           H        ASP  72  10.203   2.431   7.525
  528    HA   ASP  72           HA       ASP  72   7.507   1.708   6.711
  529    HB2  ASP  72           HB2      ASP  72   8.023   3.806   7.939
  530    HB3  ASP  72           HB3      ASP  72   9.009   4.347   6.574
  531    H    TYR  73           H        TYR  73  10.673   1.758   5.302
  532    HA   TYR  73           HA       TYR  73   9.683   2.375   2.645
  533    HB2  TYR  73           HB2      TYR  73  12.448   2.434   3.865
  534    HB3  TYR  73           HB3      TYR  73  12.112   2.720   2.157
  535    HD1  TYR  73           HD2      TYR  73  10.647   4.653   1.462
  536    HD2  TYR  73           HD1      TYR  73  12.073   4.208   5.501
  537    HE1  TYR  73           HE2      TYR  73  10.025   6.994   1.935
  538    HE2  TYR  73           HE1      TYR  73  11.527   6.587   5.993
  539    HH   TYR  73           HH       TYR  73  10.609   8.576   5.076
  540    H    ASP  74           H        ASP  74   9.680   0.848   1.041
  541    HA   ASP  74           HA       ASP  74  10.246  -1.944   1.774
  542    HB2  ASP  74           HB2      ASP  74   8.265  -1.382   0.404
  543    HB3  ASP  74           HB3      ASP  74   9.314  -0.661  -0.823
  544    H    VAL  75           H        VAL  75  11.531   0.674  -0.273
  545    HA   VAL  75           HA       VAL  75  13.894  -1.029  -0.905
  546    HB   VAL  75           HB       VAL  75  12.600  -1.245  -2.748
  547   HG11  VAL  75          HG11      VAL  75  10.853   0.466  -2.445
  548   HG12  VAL  75          HG12      VAL  75  12.000   1.624  -3.162
  549   HG13  VAL  75          HG13      VAL  75  11.431   0.253  -4.096
  550   HG21  VAL  75          HG21      VAL  75  14.990  -0.478  -3.201
  551   HG22  VAL  75          HG22      VAL  75  13.860  -0.328  -4.558
  552   HG23  VAL  75          HG23      VAL  75  14.315   1.100  -3.606
  553    H    VAL  76           H        VAL  76  15.812  -0.173  -0.649
  554    HA   VAL  76           HA       VAL  76  15.970   2.740  -0.069
  555    HB   VAL  76           HB       VAL  76  17.824   1.908   1.486
  556   HG11  VAL  76          HG11      VAL  76  15.799   2.990   2.240
  557   HG12  VAL  76          HG12      VAL  76  14.877   1.476   2.113
  558   HG13  VAL  76          HG13      VAL  76  16.167   1.635   3.327
  559   HG21  VAL  76          HG21      VAL  76  17.818  -0.489   0.806
  560   HG22  VAL  76          HG22      VAL  76  17.483  -0.286   2.533
  561   HG23  VAL  76          HG23      VAL  76  16.167  -0.637   1.413
  562    H    ILE  77           H        ILE  77  16.903   3.695  -1.638
  563    HA   ILE  77           HA       ILE  77  19.103   2.413  -3.149
  564    HB   ILE  77           HB       ILE  77  17.239   4.745  -3.761
  565   HG12  ILE  77          HG12      ILE  77  16.004   2.739  -4.054
  566   HG13  ILE  77          HG13      ILE  77  16.503   3.294  -5.647
  567   HG21  ILE  77          HG21      ILE  77  19.414   5.229  -4.724
  568   HG22  ILE  77          HG22      ILE  77  19.534   3.595  -5.382
  569   HG23  ILE  77          HG23      ILE  77  18.309   4.746  -5.990
  570   HD11  ILE  77          HD11      ILE  77  16.716   0.865  -5.493
  571   HD12  ILE  77          HD12      ILE  77  18.316   1.609  -5.680
  572   HD13  ILE  77          HD13      ILE  77  17.799   1.010  -4.093
  573    H    SER  78           H        SER  78  20.898   2.784  -2.000
  574    HA   SER  78           HA       SER  78  21.368   5.472  -0.907
  575    HB2  SER  78           HB2      SER  78  23.068   2.976  -1.023
  576    HB3  SER  78           HB3      SER  78  23.685   4.593  -0.561
  577    HG   SER  78           HG       SER  78  23.041   3.599   1.268
  578    H    LEU  79           H        LEU  79  23.074   6.783  -1.875
  579    HA   LEU  79           HA       LEU  79  24.052   5.996  -4.525
  580    HB2  LEU  79           HB2      LEU  79  23.262   8.808  -4.673
  581    HB3  LEU  79           HB3      LEU  79  23.072   7.502  -5.801
  582    HG   LEU  79           HG       LEU  79  20.980   6.884  -4.144
  583   HD11  LEU  79          HD11      LEU  79  21.235   9.891  -3.901
  584   HD12  LEU  79          HD12      LEU  79  20.035   8.806  -3.141
  585   HD13  LEU  79          HD13      LEU  79  21.732   8.767  -2.651
  586   HD21  LEU  79          HD21      LEU  79  19.513   8.197  -5.592
  587   HD22  LEU  79          HD22      LEU  79  20.902   9.100  -6.233
  588   HD23  LEU  79          HD23      LEU  79  20.754   7.359  -6.529
  589    H    CYS  80           H        CYS  80  25.230   6.073  -1.940
  590    HA   CYS  80           HA       CYS  80  26.433   8.562  -1.229
  591    HB2  CYS  80           HB2      CYS  80  27.093   5.674  -0.514
  592    HB3  CYS  80           HB3      CYS  80  27.805   7.098   0.281
  593    HG   CYS  80           HG       CYS  80  25.883   5.988   1.750
  594    H    GLY  81           H        GLY  81  27.532   5.901  -3.312
  595    HA2  GLY  81           HA2      GLY  81  28.663   6.811  -5.325
  596    HA3  GLY  81           HA3      GLY  81  29.750   7.692  -4.262
  597    H    CYS  82           H        CYS  82  30.849   6.142  -2.528
  598    HA   CYS  82           HA       CYS  82  32.406   4.376  -4.237
  599    HB2  CYS  82           HB2      CYS  82  32.829   5.213  -1.332
  600    HB3  CYS  82           HB3      CYS  82  33.988   4.334  -2.334
  601    HG   CYS  82           HG       CYS  82  32.648   7.311  -2.958
  602    H    GLY  83           H        GLY  83  29.795   3.336  -3.723
  603    HA2  GLY  83           HA2      GLY  83  28.762   1.377  -3.243
  604    HA3  GLY  83           HA3      GLY  83  30.354   0.631  -2.997
  605    H    VAL  84           H        VAL  84  29.283   3.429  -1.134
  606    HA   VAL  84           HA       VAL  84  29.778   2.052   1.360
  607    HB   VAL  84           HB       VAL  84  28.831   4.834   0.798
  608   HG11  VAL  84          HG11      VAL  84  28.157   4.147   3.068
  609   HG12  VAL  84          HG12      VAL  84  29.811   3.597   3.406
  610   HG13  VAL  84          HG13      VAL  84  29.472   5.325   3.150
  611   HG21  VAL  84          HG21      VAL  84  31.100   4.469  -0.047
  612   HG22  VAL  84          HG22      VAL  84  31.154   5.491   1.392
  613   HG23  VAL  84          HG23      VAL  84  31.591   3.774   1.510
  614    H    ASN  85           H        ASN  85  28.333   0.564   1.936
  615    HA   ASN  85           HA       ASN  85  25.447   1.085   1.715
  616    HB2  ASN  85           HB2      ASN  85  25.108  -1.074   2.603
  617    HB3  ASN  85           HB3      ASN  85  26.462  -1.265   1.504
  618   HD21  ASN  85          HD22      ASN  85  25.605  -0.804   4.968
  619   HD22  ASN  85          HD21      ASN  85  27.039  -1.586   5.597
  620    H    LEU  86           H        LEU  86  24.122   1.114   3.511
  621    HA   LEU  86           HA       LEU  86  24.956   3.142   5.450
  622    HB2  LEU  86           HB2      LEU  86  22.335   1.649   5.107
  623    HB3  LEU  86           HB3      LEU  86  22.608   3.138   6.011
  624    HG   LEU  86           HG       LEU  86  22.836   2.782   2.988
  625   HD11  LEU  86          HD11      LEU  86  20.573   2.875   3.724
  626   HD12  LEU  86          HD12      LEU  86  20.875   4.354   4.688
  627   HD13  LEU  86          HD13      LEU  86  20.975   4.373   2.910
  628   HD21  LEU  86          HD21      LEU  86  24.549   4.337   3.521
  629   HD22  LEU  86          HD22      LEU  86  23.181   5.275   2.928
  630   HD23  LEU  86          HD23      LEU  86  23.500   5.218   4.674
  631    HA   PRO  87           HA       PRO  87  26.122  -0.001   8.480
  632    HB2  PRO  87           HB2      PRO  87  25.962   2.416  10.272
  633    HB3  PRO  87           HB3      PRO  87  27.202   1.130  10.212
  634    HG2  PRO  87           HG2      PRO  87  27.675   3.564   9.095
  635    HG3  PRO  87           HG3      PRO  87  28.193   2.063   8.260
  636    HD2  PRO  87           HD2      PRO  87  25.749   3.760   7.725
  637    HD3  PRO  87           HD3      PRO  87  26.887   3.013   6.570
  638    HA   PRO  88           HA       PRO  88  22.296   0.855  11.157
  639    HB2  PRO  88           HB2      PRO  88  20.393   2.736  10.593
  640    HB3  PRO  88           HB3      PRO  88  21.939   3.138  11.381
  641    HG2  PRO  88           HG2      PRO  88  21.334   3.304   8.394
  642    HG3  PRO  88           HG3      PRO  88  21.950   4.605   9.470
  643    HD2  PRO  88           HD2      PRO  88  23.534   3.104   7.959
  644    HD3  PRO  88           HD3      PRO  88  24.021   3.550   9.626
  645    H    GLU  89           H        GLU  89  19.794   0.647  10.983
  646    HA   GLU  89           HA       GLU  89  19.026  -1.657   9.843
  647    HB2  GLU  89           HB2      GLU  89  16.696  -0.836  10.227
  648    HB3  GLU  89           HB3      GLU  89  17.793  -0.614  11.597
  649    HG2  GLU  89           HG2      GLU  89  18.010   1.778  11.097
  650    HG3  GLU  89           HG3      GLU  89  17.078   1.591   9.618
  651    H    TRP  90           H        TRP  90  19.222   1.290   8.152
  652    HA   TRP  90           HA       TRP  90  17.434   0.949   5.987
  653    HB2  TRP  90           HB2      TRP  90  20.011   2.536   6.197
  654    HB3  TRP  90           HB3      TRP  90  18.758   2.736   4.968
  655    HD1  TRP  90           HD1      TRP  90  19.331   3.456   8.687
  656    HE1  TRP  90           HE1      TRP  90  17.915   5.383   9.353
  657    HE3  TRP  90           HE3      TRP  90  16.461   3.667   4.492
  658    HZ2  TRP  90           HZ2      TRP  90  15.416   6.656   8.333
  659    HZ3  TRP  90           HZ3      TRP  90  14.461   5.130   4.416
  660    HH2  TRP  90           HH2      TRP  90  13.943   6.619   6.300
  661    H    VAL  91           H        VAL  91  19.760  -1.123   6.689
  662    HA   VAL  91           HA       VAL  91  20.290  -1.726   3.846
  663    HB   VAL  91           HB       VAL  91  22.197  -0.957   5.303
  664   HG11  VAL  91          HG11      VAL  91  21.689  -2.345   7.320
  665   HG12  VAL  91          HG12      VAL  91  22.171  -3.791   6.408
  666   HG13  VAL  91          HG13      VAL  91  23.346  -2.503   6.741
  667   HG21  VAL  91          HG21      VAL  91  22.569  -1.931   3.123
  668   HG22  VAL  91          HG22      VAL  91  23.835  -2.420   4.265
  669   HG23  VAL  91          HG23      VAL  91  22.564  -3.568   3.817
  670    H    THR  92           H        THR  92  18.009  -2.568   5.811
  671    HA   THR  92           HA       THR  92  18.278  -5.472   5.324
  672    HB   THR  92           HB       THR  92  17.392  -5.929   7.569
  673    HG1  THR  92           HG1      THR  92  17.552  -3.106   7.905
  674   HG21  THR  92          HG21      THR  92  19.863  -5.800   7.255
  675   HG22  THR  92          HG22      THR  92  19.822  -4.111   7.808
  676   HG23  THR  92          HG23      THR  92  19.330  -5.420   8.899
  677    H    GLN  93           H        GLN  93  16.719  -3.330   3.989
  678    HA   GLN  93           HA       GLN  93  13.930  -4.259   4.306
  679    HB2  GLN  93           HB2      GLN  93  15.190  -2.043   2.656
  680    HB3  GLN  93           HB3      GLN  93  13.476  -2.431   2.654
  681    HG2  GLN  93           HG2      GLN  93  13.858  -0.516   4.061
  682    HG3  GLN  93           HG3      GLN  93  13.261  -1.884   5.006
  683   HE21  GLN  93          HE22      GLN  93  14.247  -1.878   7.021
  684   HE22  GLN  93          HE21      GLN  93  15.959  -1.539   7.264
  685    H    GLU  94           H        GLU  94  12.829  -4.343   1.937
  686    HA   GLU  94           HA       GLU  94  13.617  -6.796   0.969
  687    HB2  GLU  94           HB2      GLU  94  11.353  -5.375   0.963
  688    HB3  GLU  94           HB3      GLU  94  11.889  -4.949  -0.674
  689    HG2  GLU  94           HG2      GLU  94  12.020  -7.344  -1.243
  690    HG3  GLU  94           HG3      GLU  94  11.702  -7.764   0.446
  691    H    ILE  95           H        ILE  95  14.466  -3.581  -0.303
  692    HA   ILE  95           HA       ILE  95  16.221  -4.917  -2.336
  693    HB   ILE  95           HB       ILE  95  14.327  -2.630  -2.717
  694   HG12  ILE  95          HG12      ILE  95  14.420  -5.492  -3.737
  695   HG13  ILE  95          HG13      ILE  95  13.114  -4.672  -2.869
  696   HG21  ILE  95          HG21      ILE  95  15.230  -2.484  -5.039
  697   HG22  ILE  95          HG22      ILE  95  16.531  -2.235  -3.900
  698   HG23  ILE  95          HG23      ILE  95  16.360  -3.814  -4.693
  699   HD11  ILE  95          HD11      ILE  95  13.961  -4.289  -5.731
  700   HD12  ILE  95          HD12      ILE  95  12.433  -4.948  -5.122
  701   HD13  ILE  95          HD13      ILE  95  12.795  -3.216  -4.897
  702    H    PHE  96           H        PHE  96  18.303  -3.971  -2.293
  703    HA   PHE  96           HA       PHE  96  18.639  -1.287  -1.263
  704    HB2  PHE  96           HB2      PHE  96  19.248  -2.581   0.711
  705    HB3  PHE  96           HB3      PHE  96  20.247  -3.666  -0.260
  706    HD1  PHE  96           HD1      PHE  96  20.000  -0.243   1.175
  707    HD2  PHE  96           HD2      PHE  96  22.440  -2.927  -1.166
  708    HE1  PHE  96           HE1      PHE  96  21.834   1.406   1.173
  709    HE2  PHE  96           HE2      PHE  96  24.246  -1.219  -1.224
  710    HZ   PHE  96           HZ       PHE  96  23.955   0.931  -0.020
  711    H    GLU  97           H        GLU  97  20.104  -0.209  -2.488
  712    HA   GLU  97           HA       GLU  97  22.167  -1.579  -4.038
  713    HB2  GLU  97           HB2      GLU  97  19.985   0.157  -5.267
  714    HB3  GLU  97           HB3      GLU  97  21.591   0.052  -5.989
  715    HG2  GLU  97           HG2      GLU  97  21.412  -2.328  -6.273
  716    HG3  GLU  97           HG3      GLU  97  19.789  -2.340  -5.551
  717    H    ASP  98           H        ASP  98  23.805  -0.031  -4.590
  718    HA   ASP  98           HA       ASP  98  23.543   2.673  -3.456
  719    HB2  ASP  98           HB2      ASP  98  25.131   1.495  -2.010
  720    HB3  ASP  98           HB3      ASP  98  26.150   1.143  -3.414
  721    H    TRP  99           H        TRP  99  23.118   3.817  -5.269
  722    HA   TRP  99           HA       TRP  99  24.161   3.078  -7.874
  723    HB2  TRP  99           HB2      TRP  99  22.597   5.526  -6.952
  724    HB3  TRP  99           HB3      TRP  99  22.970   5.147  -8.614
  725    HD1  TRP  99           HD1      TRP  99  22.050   1.878  -7.254
  726    HE1  TRP  99           HE1      TRP  99  19.612   1.300  -7.710
  727    HE3  TRP  99           HE3      TRP  99  20.428   6.523  -8.603
  728    HZ2  TRP  99           HZ2      TRP  99  17.138   2.774  -8.375
  729    HZ3  TRP  99           HZ3      TRP  99  18.036   6.929  -9.079
  730    HH2  TRP  99           HH2      TRP  99  16.412   5.083  -8.939
  731    H    GLN 100           H        GLN 100  26.330   3.256  -8.066
  732    HA   GLN 100           HA       GLN 100  27.933   5.371  -6.981
  733    HB2  GLN 100           HB2      GLN 100  28.797   3.156  -7.397
  734    HB3  GLN 100           HB3      GLN 100  28.472   3.274  -9.128
  735    HG2  GLN 100           HG2      GLN 100  30.203   4.874  -9.469
  736    HG3  GLN 100           HG3      GLN 100  30.301   5.276  -7.756
  737   HE21  GLN 100          HE22      GLN 100  31.009   3.506  -6.266
  738   HE22  GLN 100          HE21      GLN 100  32.225   2.361  -6.832
  739    H    LEU 101           H        LEU 101  27.081   7.345  -7.593
  740    HA   LEU 101           HA       LEU 101  26.902   8.034 -10.490
  741    HB2  LEU 101           HB2      LEU 101  25.315   8.696  -8.003
  742    HB3  LEU 101           HB3      LEU 101  25.412   9.904  -9.254
  743    HG   LEU 101           HG       LEU 101  24.100   8.826 -10.724
  744   HD11  LEU 101          HD11      LEU 101  25.296   6.809 -11.185
  745   HD12  LEU 101          HD12      LEU 101  24.819   6.106  -9.623
  746   HD13  LEU 101          HD13      LEU 101  23.606   6.408 -10.880
  747   HD21  LEU 101          HD21      LEU 101  22.212   7.764  -9.525
  748   HD22  LEU 101          HD22      LEU 101  23.238   7.574  -8.092
  749   HD23  LEU 101          HD23      LEU 101  22.816   9.200  -8.665
  750    H    GLU 102           H        GLU 102  27.480  10.046 -11.120
  751    HA   GLU 102           HA       GLU 102  29.857  10.983  -9.814
  752    HB2  GLU 102           HB2      GLU 102  28.623  11.510 -12.543
  753    HB3  GLU 102           HB3      GLU 102  30.134  12.267 -12.026
  754    HG2  GLU 102           HG2      GLU 102  31.286  10.211 -11.874
  755    HG3  GLU 102           HG3      GLU 102  29.811   9.251 -11.896
  756    H    ASP 103           H        ASP 103  28.239  11.539  -8.140
  757    HA   ASP 103           HA       ASP 103  26.887  13.319  -7.159
  758    HB2  ASP 103           HB2      ASP 103  28.620  12.474  -5.809
  759    HB3  ASP 103           HB3      ASP 103  29.881  13.302  -6.723
  760    HA   PRO 104           HA       PRO 104  27.422  16.625 -10.200
  761    HB2  PRO 104           HB2      PRO 104  24.652  17.289  -9.297
  762    HB3  PRO 104           HB3      PRO 104  25.377  17.223 -10.956
  763    HG2  PRO 104           HG2      PRO 104  23.843  15.186 -10.022
  764    HG3  PRO 104           HG3      PRO 104  25.305  14.915 -11.028
  765    HD2  PRO 104           HD2      PRO 104  24.990  14.628  -8.042
  766    HD3  PRO 104           HD3      PRO 104  25.913  13.610  -9.205
  767    H    ASP 105           H        ASP 105  27.327  16.974  -6.838
  768    HA   ASP 105           HA       ASP 105  26.839  19.719  -6.403
  769    HB2  ASP 105           HB2      ASP 105  26.950  18.146  -4.597
  770    HB3  ASP 105           HB3      ASP 105  28.620  17.722  -4.981
  771    H    GLY 106           H        GLY 106  27.693  20.923  -8.052
  772    HA2  GLY 106           HA2      GLY 106  29.129  22.767  -8.302
  773    HA3  GLY 106           HA3      GLY 106  30.451  21.870  -7.546
  774    H    GLN 107           H        GLN 107  28.602  20.181 -10.047
  775    HA   GLN 107           HA       GLN 107  31.117  20.043 -11.573
  776    HB2  GLN 107           HB2      GLN 107  28.572  18.461 -11.992
  777    HB3  GLN 107           HB3      GLN 107  30.198  18.074 -12.564
  778    HG2  GLN 107           HG2      GLN 107  29.411  18.138  -9.636
  779    HG3  GLN 107           HG3      GLN 107  29.380  16.720 -10.686
  780   HE21  GLN 107          HE22      GLN 107  30.665  15.955  -8.837
  781   HE22  GLN 107          HE21      GLN 107  32.419  16.056  -9.002
  782    H    SER 108           H        SER 108  30.684  19.484 -13.993
  783    HA   SER 108           HA       SER 108  29.729  21.872 -15.367
  784    HB2  SER 108           HB2      SER 108  30.858  19.191 -16.286
  785    HB3  SER 108           HB3      SER 108  30.657  20.628 -17.318
  786    HG   SER 108           HG       SER 108  32.799  20.423 -16.519
  787    H    LEU 109           H        LEU 109  28.075  21.763 -17.080
  788    HA   LEU 109           HA       LEU 109  25.722  20.399 -16.358
  789    HB2  LEU 109           HB2      LEU 109  26.552  21.500 -19.072
  790    HB3  LEU 109           HB3      LEU 109  24.923  20.940 -18.692
  791    HG   LEU 109           HG       LEU 109  26.326  23.202 -17.219
  792   HD11  LEU 109          HD11      LEU 109  24.193  23.319 -19.401
  793   HD12  LEU 109          HD12      LEU 109  24.836  24.709 -18.496
  794   HD13  LEU 109          HD13      LEU 109  25.897  23.794 -19.577
  795   HD21  LEU 109          HD21      LEU 109  24.028  23.739 -16.395
  796   HD22  LEU 109          HD22      LEU 109  23.418  22.260 -17.167
  797   HD23  LEU 109          HD23      LEU 109  24.585  22.167 -15.829
  798    H    GLU 110           H        GLU 110  28.295  19.373 -18.586
  799    HA   GLU 110           HA       GLU 110  26.953  17.157 -19.697
  800    HB2  GLU 110           HB2      GLU 110  29.063  18.154 -20.510
  801    HB3  GLU 110           HB3      GLU 110  29.917  17.525 -19.094
  802    HG2  GLU 110           HG2      GLU 110  29.400  15.204 -19.797
  803    HG3  GLU 110           HG3      GLU 110  28.461  15.813 -21.162
  804    H    VAL 111           H        VAL 111  28.697  17.502 -16.577
  805    HA   VAL 111           HA       VAL 111  28.578  14.681 -15.917
  806    HB   VAL 111           HB       VAL 111  28.971  17.125 -14.175
  807   HG11  VAL 111          HG11      VAL 111  29.962  15.440 -12.549
  808   HG12  VAL 111          HG12      VAL 111  28.205  15.368 -12.727
  809   HG13  VAL 111          HG13      VAL 111  29.236  14.165 -13.539
  810   HG21  VAL 111          HG21      VAL 111  31.364  16.461 -14.195
  811   HG22  VAL 111          HG22      VAL 111  30.985  15.135 -15.314
  812   HG23  VAL 111          HG23      VAL 111  30.798  16.823 -15.828
  813    H    PHE 112           H        PHE 112  26.608  17.604 -15.154
  814    HA   PHE 112           HA       PHE 112  24.670  16.298 -13.546
  815    HB2  PHE 112           HB2      PHE 112  24.627  18.780 -15.274
  816    HB3  PHE 112           HB3      PHE 112  23.157  18.134 -14.590
  817    HD1  PHE 112           HD1      PHE 112  26.371  19.677 -13.678
  818    HD2  PHE 112           HD2      PHE 112  22.535  18.233 -12.322
  819    HE1  PHE 112           HE1      PHE 112  26.741  20.739 -11.474
  820    HE2  PHE 112           HE2      PHE 112  22.909  19.315 -10.125
  821    HZ   PHE 112           HZ       PHE 112  25.059  20.496  -9.701
  822    H    ARG 113           H        ARG 113  24.538  16.898 -17.131
  823    HA   ARG 113           HA       ARG 113  22.205  15.397 -17.609
  824    HB2  ARG 113           HB2      ARG 113  24.610  16.178 -19.276
  825    HB3  ARG 113           HB3      ARG 113  23.407  15.085 -19.962
  826    HG2  ARG 113           HG2      ARG 113  21.726  16.650 -20.018
  827    HG3  ARG 113           HG3      ARG 113  22.348  17.546 -18.636
  828    HD2  ARG 113           HD2      ARG 113  24.089  18.554 -19.900
  829    HD3  ARG 113           HD3      ARG 113  23.644  17.620 -21.359
  830    HE   ARG 113           HE       ARG 113  21.329  18.977 -20.497
  831   HH11  ARG 113          HH11      ARG 113  24.555  19.885 -21.717
  832   HH12  ARG 113          HH12      ARG 113  24.028  21.381 -22.392
  833   HH21  ARG 113          HH21      ARG 113  20.623  20.909 -21.432
  834   HH22  ARG 113          HH22      ARG 113  21.733  21.987 -22.228
  835    H    THR 114           H        THR 114  25.625  14.174 -17.445
  836    HA   THR 114           HA       THR 114  25.001  11.541 -18.220
  837    HB   THR 114           HB       THR 114  27.167  12.721 -16.417
  838    HG1  THR 114           HG1      THR 114  27.327  13.576 -18.405
  839   HG21  THR 114          HG21      THR 114  26.993  10.023 -17.783
  840   HG22  THR 114          HG22      THR 114  28.468  10.714 -17.046
  841   HG23  THR 114          HG23      THR 114  27.057  10.361 -16.033
  842    H    VAL 115           H        VAL 115  25.167  13.052 -14.914
  843    HA   VAL 115           HA       VAL 115  24.344  10.681 -13.590
  844    HB   VAL 115           HB       VAL 115  24.291  13.548 -12.741
  845   HG11  VAL 115          HG11      VAL 115  22.651  12.393 -11.343
  846   HG12  VAL 115          HG12      VAL 115  23.769  11.040 -11.090
  847   HG13  VAL 115          HG13      VAL 115  24.112  12.625 -10.385
  848   HG21  VAL 115          HG21      VAL 115  26.144  11.208 -12.128
  849   HG22  VAL 115          HG22      VAL 115  26.548  12.615 -13.128
  850   HG23  VAL 115          HG23      VAL 115  26.278  12.822 -11.402
  851    H    ARG 116           H        ARG 116  22.385  13.443 -14.908
  852    HA   ARG 116           HA       ARG 116  19.922  12.543 -13.895
  853    HB2  ARG 116           HB2      ARG 116  20.106  14.693 -15.113
  854    HB3  ARG 116           HB3      ARG 116  20.429  13.830 -16.637
  855    HG2  ARG 116           HG2      ARG 116  18.218  12.678 -16.462
  856    HG3  ARG 116           HG3      ARG 116  17.967  13.446 -14.908
  857    HD2  ARG 116           HD2      ARG 116  16.618  14.537 -16.354
  858    HD3  ARG 116           HD3      ARG 116  17.932  15.680 -16.178
  859    HE   ARG 116           HE       ARG 116  17.339  13.914 -18.522
  860   HH11  ARG 116          HH11      ARG 116  19.324  16.610 -17.309
  861   HH12  ARG 116          HH12      ARG 116  19.466  17.362 -18.867
  862   HH21  ARG 116          HH21      ARG 116  17.730  14.841 -20.606
  863   HH22  ARG 116          HH22      ARG 116  18.696  16.266 -20.741
  864    H    GLY 117           H        GLY 117  21.626  11.585 -16.921
  865    HA2  GLY 117           HA2      GLY 117  19.619   9.769 -17.754
  866    HA3  GLY 117           HA3      GLY 117  21.345   9.697 -18.230
  867    H    GLN 118           H        GLN 118  22.563   9.215 -15.710
  868    HA   GLN 118           HA       GLN 118  22.245   6.430 -15.452
  869    HB2  GLN 118           HB2      GLN 118  23.420   8.520 -13.576
  870    HB3  GLN 118           HB3      GLN 118  23.532   6.790 -13.265
  871    HG2  GLN 118           HG2      GLN 118  24.901   6.389 -15.153
  872    HG3  GLN 118           HG3      GLN 118  24.569   7.958 -15.864
  873   HE21  GLN 118          HE22      GLN 118  27.158   7.366 -15.786
  874   HE22  GLN 118          HE21      GLN 118  27.984   8.337 -14.585
  875    H    VAL 119           H        VAL 119  21.221   9.004 -13.247
  876    HA   VAL 119           HA       VAL 119  19.777   7.548 -11.360
  877    HB   VAL 119           HB       VAL 119  19.490  10.422 -12.355
  878   HG11  VAL 119          HG11      VAL 119  18.313  10.907 -10.239
  879   HG12  VAL 119          HG12      VAL 119  17.378   9.814 -11.268
  880   HG13  VAL 119          HG13      VAL 119  18.259   9.162  -9.881
  881   HG21  VAL 119          HG21      VAL 119  21.663   9.708 -11.154
  882   HG22  VAL 119          HG22      VAL 119  20.763  11.038 -10.410
  883   HG23  VAL 119          HG23      VAL 119  20.650   9.411  -9.726
  884    H    LYS 120           H        LYS 120  18.405   9.196 -14.356
  885    HA   LYS 120           HA       LYS 120  15.749   8.559 -13.587
  886    HB2  LYS 120           HB2      LYS 120  16.258  10.343 -15.151
  887    HB3  LYS 120           HB3      LYS 120  17.012   9.210 -16.288
  888    HG2  LYS 120           HG2      LYS 120  14.881   8.120 -16.709
  889    HG3  LYS 120           HG3      LYS 120  14.071   9.133 -15.493
  890    HD2  LYS 120           HD2      LYS 120  14.509  11.151 -16.813
  891    HD3  LYS 120           HD3      LYS 120  15.450  10.235 -17.997
  892    HE2  LYS 120           HE2      LYS 120  12.519   9.713 -17.347
  893    HE3  LYS 120           HE3      LYS 120  13.069  10.756 -18.669
  894    HZ1  LYS 120           HZ1      LYS 120  13.517   7.826 -18.439
  895    HZ2  LYS 120           HZ2      LYS 120  12.587   8.604 -19.526
  896    HZ3  LYS 120           HZ3      LYS 120  14.204   8.779 -19.600
  897    H    GLU 121           H        GLU 121  17.950   6.915 -15.835
  898    HA   GLU 121           HA       GLU 121  16.274   4.769 -16.552
  899    HB2  GLU 121           HB2      GLU 121  18.152   4.562 -17.824
  900    HB3  GLU 121           HB3      GLU 121  19.070   5.529 -16.668
  901    HG2  GLU 121           HG2      GLU 121  19.795   3.774 -15.401
  902    HG3  GLU 121           HG3      GLU 121  18.787   2.586 -16.266
  903    H    ARG 122           H        ARG 122  18.368   5.214 -13.700
  904    HA   ARG 122           HA       ARG 122  17.959   2.493 -12.760
  905    HB2  ARG 122           HB2      ARG 122  19.171   4.964 -11.500
  906    HB3  ARG 122           HB3      ARG 122  18.944   3.437 -10.631
  907    HG2  ARG 122           HG2      ARG 122  20.416   2.218 -11.878
  908    HG3  ARG 122           HG3      ARG 122  20.311   3.304 -13.254
  909    HD2  ARG 122           HD2      ARG 122  21.531   5.065 -11.904
  910    HD3  ARG 122           HD3      ARG 122  21.677   3.897 -10.594
  911    HE   ARG 122           HE       ARG 122  23.480   2.998 -11.633
  912   HH11  ARG 122          HH11      ARG 122  21.548   4.566 -14.146
  913   HH12  ARG 122          HH12      ARG 122  22.449   3.931 -15.475
  914   HH21  ARG 122          HH21      ARG 122  24.890   2.380 -13.366
  915   HH22  ARG 122          HH22      ARG 122  24.535   2.855 -14.984
  916    H    VAL 123           H        VAL 123  16.429   5.670 -11.672
  917    HA   VAL 123           HA       VAL 123  14.539   4.595  -9.996
  918    HB   VAL 123           HB       VAL 123  14.298   6.823 -12.050
  919   HG11  VAL 123          HG11      VAL 123  12.430   6.088  -9.761
  920   HG12  VAL 123          HG12      VAL 123  12.416   7.614 -10.691
  921   HG13  VAL 123          HG13      VAL 123  12.035   6.093 -11.487
  922   HG21  VAL 123          HG21      VAL 123  14.618   8.304 -10.123
  923   HG22  VAL 123          HG22      VAL 123  14.754   6.914  -9.035
  924   HG23  VAL 123          HG23      VAL 123  15.995   7.218 -10.265
  925    H    GLU 124           H        GLU 124  14.315   4.746 -13.638
  926    HA   GLU 124           HA       GLU 124  11.769   3.540 -13.733
  927    HB2  GLU 124           HB2      GLU 124  14.053   3.589 -15.759
  928    HB3  GLU 124           HB3      GLU 124  12.477   2.870 -16.106
  929    HG2  GLU 124           HG2      GLU 124  11.384   5.058 -15.635
  930    HG3  GLU 124           HG3      GLU 124  12.976   5.775 -15.367
  931    H    ASN 125           H        ASN 125  14.989   2.059 -13.704
  932    HA   ASN 125           HA       ASN 125  14.113  -0.636 -14.025
  933    HB2  ASN 125           HB2      ASN 125  16.623   0.629 -12.919
  934    HB3  ASN 125           HB3      ASN 125  16.310  -1.067 -12.599
  935   HD21  ASN 125          HD22      ASN 125  16.684   1.281 -15.278
  936   HD22  ASN 125          HD21      ASN 125  17.179   0.080 -16.459
  937    H    LEU 126           H        LEU 126  14.659   1.379 -11.119
  938    HA   LEU 126           HA       LEU 126  14.101  -0.724  -9.315
  939    HB2  LEU 126           HB2      LEU 126  14.731   0.636  -7.710
  940    HB3  LEU 126           HB3      LEU 126  15.170   1.720  -9.005
  941    HG   LEU 126           HG       LEU 126  12.712   2.597  -8.765
  942   HD11  LEU 126          HD11      LEU 126  12.084   0.751  -7.081
  943   HD12  LEU 126          HD12      LEU 126  13.148   1.536  -5.933
  944   HD13  LEU 126          HD13      LEU 126  11.726   2.405  -6.552
  945   HD21  LEU 126          HD21      LEU 126  13.395   4.316  -7.358
  946   HD22  LEU 126          HD22      LEU 126  14.530   3.280  -6.464
  947   HD23  LEU 126          HD23      LEU 126  14.894   3.765  -8.114
  948    H    ILE 127           H        ILE 127  11.912   1.769 -10.636
  949    HA   ILE 127           HA       ILE 127   9.530   0.822  -9.412
  950    HB   ILE 127           HB       ILE 127  10.145   2.213 -12.054
  951   HG12  ILE 127          HG12      ILE 127   8.753   3.279  -9.549
  952   HG13  ILE 127          HG13      ILE 127  10.488   3.447  -9.818
  953   HG21  ILE 127          HG21      ILE 127   7.455   1.463 -10.857
  954   HG22  ILE 127          HG22      ILE 127   7.631   2.729 -12.100
  955   HG23  ILE 127          HG23      ILE 127   8.096   1.074 -12.465
  956   HD11  ILE 127          HD11      ILE 127   9.988   4.739 -11.932
  957   HD12  ILE 127          HD12      ILE 127   8.271   4.744 -11.472
  958   HD13  ILE 127          HD13      ILE 127   9.457   5.524 -10.434
  959    H    ALA 128           H        ALA 128  11.291  -0.381 -12.332
  960    HA   ALA 128           HA       ALA 128   9.135  -2.008 -13.209
  961    HB1  ALA 128           HB1      ALA 128  10.756  -3.115 -14.654
  962    HB2  ALA 128           HB2      ALA 128  11.040  -1.365 -14.663
  963    HB3  ALA 128           HB3      ALA 128  12.106  -2.443 -13.728
  964    H    LYS 129           H        LYS 129  11.692  -2.590 -10.847
  965    HA   LYS 129           HA       LYS 129  11.382  -5.384 -10.469
  966    HB2  LYS 129           HB2      LYS 129  12.162  -3.192  -8.553
  967    HB3  LYS 129           HB3      LYS 129  12.361  -4.913  -8.221
  968    HG2  LYS 129           HG2      LYS 129  13.971  -5.139 -10.054
  969    HG3  LYS 129           HG3      LYS 129  13.691  -3.471 -10.552
  970    HD2  LYS 129           HD2      LYS 129  14.368  -2.829  -8.122
  971    HD3  LYS 129           HD3      LYS 129  15.005  -4.482  -8.037
  972    HE2  LYS 129           HE2      LYS 129  16.384  -3.940 -10.117
  973    HE3  LYS 129           HE3      LYS 129  15.815  -2.267  -9.995
  974    HZ1  LYS 129           HZ1      LYS 129  17.333  -3.677  -7.872
  975    HZ2  LYS 129           HZ2      LYS 129  18.012  -2.633  -8.913
  976    HZ3  LYS 129           HZ3      LYS 129  16.900  -2.092  -7.857
  977    H    ILE 130           H        ILE 130   9.625  -2.591  -9.106
  978    HA   ILE 130           HA       ILE 130   8.152  -4.290  -7.277
  979    HB   ILE 130           HB       ILE 130   7.498  -1.989  -6.380
  980   HG12  ILE 130          HG12      ILE 130   9.539  -1.022  -8.254
  981   HG13  ILE 130          HG13      ILE 130   7.913  -0.443  -7.979
  982   HG21  ILE 130          HG21      ILE 130  10.460  -2.755  -6.283
  983   HG22  ILE 130          HG22      ILE 130   9.514  -2.007  -4.970
  984   HG23  ILE 130          HG23      ILE 130   9.196  -3.668  -5.428
  985   HD11  ILE 130          HD11      ILE 130   8.659   0.379  -5.719
  986   HD12  ILE 130          HD12      ILE 130  10.300  -0.166  -6.100
  987   HD13  ILE 130          HD13      ILE 130   9.586   1.115  -7.069
  988    H    SER 131           H        SER 131   7.529  -2.360 -10.052
  989    HA   SER 131           HA       SER 131   4.919  -1.646  -9.965
  990    HB2  SER 131           HB2      SER 131   6.431  -2.878 -12.301
  991    HB3  SER 131           HB3      SER 131   4.844  -2.099 -12.450
  992    HG   SER 131           HG       SER 131   7.275  -0.953 -11.505
  Start of MODEL    8
    1    H    MET   1           H        MET   1   1.484  -0.589  -1.049
    2    HA   MET   1           HA       MET   1   2.773   0.541  -3.434
    3    HB2  MET   1           HB2      MET   1   1.127   2.088  -2.688
    4    HB3  MET   1           HB3      MET   1   1.599   1.921  -0.991
    5    HG2  MET   1           HG2      MET   1   3.623   3.113  -1.313
    6    HG3  MET   1           HG3      MET   1   3.509   3.028  -3.064
    7    HE1  MET   1           HE1      MET   1   2.295   4.679  -4.602
    8    HE2  MET   1           HE2      MET   1   0.770   3.942  -4.055
    9    HE3  MET   1           HE3      MET   1   0.947   5.707  -4.078
   10    H    LYS   2           H        LYS   2   4.902   1.004  -3.291
   11    HA   LYS   2           HA       LYS   2   6.390  -0.106  -0.930
   12    HB2  LYS   2           HB2      LYS   2   6.962   0.182  -3.875
   13    HB3  LYS   2           HB3      LYS   2   8.296   0.509  -2.773
   14    HG2  LYS   2           HG2      LYS   2   8.513  -1.738  -3.324
   15    HG3  LYS   2           HG3      LYS   2   7.854  -1.713  -1.695
   16    HD2  LYS   2           HD2      LYS   2   5.627  -2.315  -2.513
   17    HD3  LYS   2           HD3      LYS   2   6.156  -2.106  -4.189
   18    HE2  LYS   2           HE2      LYS   2   6.142  -4.478  -3.744
   19    HE3  LYS   2           HE3      LYS   2   7.820  -3.947  -3.885
   20    HZ1  LYS   2           HZ1      LYS   2   6.391  -4.608  -1.386
   21    HZ2  LYS   2           HZ2      LYS   2   7.721  -5.354  -2.012
   22    HZ3  LYS   2           HZ3      LYS   2   7.871  -3.880  -1.404
   23    H    LYS   3           H        LYS   3   7.552   1.244   0.363
   24    HA   LYS   3           HA       LYS   3   7.664   4.120  -0.328
   25    HB2  LYS   3           HB2      LYS   3   7.940   2.541   2.227
   26    HB3  LYS   3           HB3      LYS   3   8.846   4.037   2.095
   27    HG2  LYS   3           HG2      LYS   3   6.924   5.332   1.417
   28    HG3  LYS   3           HG3      LYS   3   5.882   3.890   1.399
   29    HD2  LYS   3           HD2      LYS   3   6.013   3.673   3.792
   30    HD3  LYS   3           HD3      LYS   3   7.298   4.909   3.886
   31    HE2  LYS   3           HE2      LYS   3   5.763   6.617   3.061
   32    HE3  LYS   3           HE3      LYS   3   4.465   5.423   2.885
   33    HZ1  LYS   3           HZ1      LYS   3   4.444   5.137   5.254
   34    HZ2  LYS   3           HZ2      LYS   3   5.777   6.050   5.464
   35    HZ3  LYS   3           HZ3      LYS   3   4.361   6.748   4.973
   36    H    VAL   4           H        VAL   4   9.248   4.758  -1.544
   37    HA   VAL   4           HA       VAL   4  11.814   3.279  -1.661
   38    HB   VAL   4           HB       VAL   4  10.572   5.485  -3.370
   39   HG11  VAL   4          HG11      VAL   4  12.364   5.005  -5.003
   40   HG12  VAL   4          HG12      VAL   4  13.036   5.617  -3.494
   41   HG13  VAL   4          HG13      VAL   4  13.128   3.883  -3.860
   42   HG21  VAL   4          HG21      VAL   4  10.266   3.789  -5.075
   43   HG22  VAL   4          HG22      VAL   4  11.012   2.550  -4.061
   44   HG23  VAL   4          HG23      VAL   4   9.444   3.250  -3.607
   45    H    MET   5           H        MET   5  13.567   4.068  -0.778
   46    HA   MET   5           HA       MET   5  13.694   6.955   0.027
   47    HB2  MET   5           HB2      MET   5  13.747   5.526   1.947
   48    HB3  MET   5           HB3      MET   5  14.881   4.419   1.183
   49    HG2  MET   5           HG2      MET   5  16.036   5.780   2.809
   50    HG3  MET   5           HG3      MET   5  16.606   6.057   1.185
   51    HE1  MET   5           HE1      MET   5  14.685   7.709   4.260
   52    HE2  MET   5           HE2      MET   5  13.983   9.141   3.487
   53    HE3  MET   5           HE3      MET   5  13.415   7.526   3.028
   54    H    PHE   6           H        PHE   6  15.458   8.172  -0.739
   55    HA   PHE   6           HA       PHE   6  17.568   6.789  -2.340
   56    HB2  PHE   6           HB2      PHE   6  16.492   9.549  -2.774
   57    HB3  PHE   6           HB3      PHE   6  17.892   8.810  -3.572
   58    HD1  PHE   6           HD2      PHE   6  17.604   6.896  -5.150
   59    HD2  PHE   6           HD1      PHE   6  14.234   9.015  -3.461
   60    HE1  PHE   6           HE2      PHE   6  16.108   5.930  -6.930
   61    HE2  PHE   6           HE1      PHE   6  12.786   7.973  -5.245
   62    HZ   PHE   6           HZ       PHE   6  13.710   6.480  -6.918
   63    H    VAL   7           H        VAL   7  19.601   6.970  -1.176
   64    HA   VAL   7           HA       VAL   7  19.875   9.243   0.770
   65    HB   VAL   7           HB       VAL   7  20.996   6.421   1.096
   66   HG11  VAL   7          HG11      VAL   7  20.771   8.682   3.128
   67   HG12  VAL   7          HG12      VAL   7  21.514   7.082   3.370
   68   HG13  VAL   7          HG13      VAL   7  22.267   8.224   2.276
   69   HG21  VAL   7          HG21      VAL   7  18.681   6.120   1.310
   70   HG22  VAL   7          HG22      VAL   7  19.331   6.140   2.944
   71   HG23  VAL   7          HG23      VAL   7  18.486   7.581   2.329
   72    H    CYS   8           H        CYS   8  21.698  10.500   0.349
   73    HA   CYS   8           HA       CYS   8  23.966   9.218  -1.116
   74    HB2  CYS   8           HB2      CYS   8  22.742  10.857  -2.570
   75    HB3  CYS   8           HB3      CYS   8  22.926  12.082  -1.335
   76    HG   CYS   8           HG       CYS   8  24.563  12.925  -2.897
   77    H    LYS   9           H        LYS   9  26.046  10.323  -0.711
   78    HA   LYS   9           HA       LYS   9  26.452  10.761   2.123
   79    HB2  LYS   9           HB2      LYS   9  28.719  10.812   1.660
   80    HB3  LYS   9           HB3      LYS   9  28.062   9.662   0.490
   81    HG2  LYS   9           HG2      LYS   9  28.061  11.585  -1.210
   82    HG3  LYS   9           HG3      LYS   9  28.990  12.519  -0.033
   83    HD2  LYS   9           HD2      LYS   9  29.762   9.931  -1.420
   84    HD3  LYS   9           HD3      LYS   9  30.527  11.496  -1.612
   85    HE2  LYS   9           HE2      LYS   9  30.598   9.732   0.891
   86    HE3  LYS   9           HE3      LYS   9  31.871   9.861  -0.313
   87    HZ1  LYS   9           HZ1      LYS   9  30.979  12.106   1.412
   88    HZ2  LYS   9           HZ2      LYS   9  32.355  11.256   1.579
   89    HZ3  LYS   9           HZ3      LYS   9  32.149  12.196   0.270
   90    H    ARG  10           H        ARG  10  25.208  12.738  -0.332
   91    HA   ARG  10           HA       ARG  10  24.884  14.942   1.445
   92    HB2  ARG  10           HB2      ARG  10  25.638  16.673  -0.145
   93    HB3  ARG  10           HB3      ARG  10  26.946  15.774   0.597
   94    HG2  ARG  10           HG2      ARG  10  27.374  14.550  -1.494
   95    HG3  ARG  10           HG3      ARG  10  25.974  15.306  -2.266
   96    HD2  ARG  10           HD2      ARG  10  27.910  16.486  -3.006
   97    HD3  ARG  10           HD3      ARG  10  26.961  17.533  -1.966
   98    HE   ARG  10           HE       ARG  10  28.614  17.531  -0.355
   99   HH11  ARG  10          HH11      ARG  10  29.552  15.279  -2.979
  100   HH12  ARG  10          HH12      ARG  10  31.182  15.134  -2.413
  101   HH21  ARG  10          HH21      ARG  10  30.777  17.316   0.353
  102   HH22  ARG  10          HH22      ARG  10  31.890  16.320  -0.500
  103    H    ASN  11           H        ASN  11  22.769  14.782   1.301
  104    HA   ASN  11           HA       ASN  11  21.095  13.613  -0.568
  105    HB2  ASN  11           HB2      ASN  11  20.271  14.380   1.589
  106    HB3  ASN  11           HB3      ASN  11  20.592  16.061   1.168
  107   HD21  ASN  11          HD22      ASN  11  18.603  13.234   0.094
  108   HD22  ASN  11          HD21      ASN  11  17.284  14.214  -0.535
  109    H    SER  12           H        SER  12  22.337  16.905  -0.656
  110    HA   SER  12           HA       SER  12  20.786  18.432  -2.081
  111    HB2  SER  12           HB2      SER  12  22.997  19.465  -2.978
  112    HB3  SER  12           HB3      SER  12  22.739  19.333  -1.238
  113    HG   SER  12           HG       SER  12  24.840  18.631  -2.027
  114    H    CYS  13           H        CYS  13  22.665  15.908  -3.744
  115    HA   CYS  13           HA       CYS  13  21.762  17.071  -6.354
  116    HB2  CYS  13           HB2      CYS  13  24.385  15.624  -5.798
  117    HB3  CYS  13           HB3      CYS  13  23.873  16.400  -7.307
  118    HG   CYS  13           HG       CYS  13  24.366  17.731  -4.313
  119    H    ARG  14           H        ARG  14  23.286  13.910  -5.453
  120    HA   ARG  14           HA       ARG  14  22.088  12.630  -7.624
  121    HB2  ARG  14           HB2      ARG  14  23.035  11.354  -5.041
  122    HB3  ARG  14           HB3      ARG  14  22.607  10.470  -6.507
  123    HG2  ARG  14           HG2      ARG  14  24.472  11.548  -7.740
  124    HG3  ARG  14           HG3      ARG  14  24.924  12.439  -6.256
  125    HD2  ARG  14           HD2      ARG  14  25.056  10.292  -5.052
  126    HD3  ARG  14           HD3      ARG  14  24.737   9.403  -6.533
  127    HE   ARG  14           HE       ARG  14  26.905  10.239  -7.407
  128   HH11  ARG  14          HH11      ARG  14  26.413  10.042  -3.896
  129   HH12  ARG  14          HH12      ARG  14  28.071   9.648  -3.568
  130   HH21  ARG  14          HH21      ARG  14  29.056   9.597  -6.939
  131   HH22  ARG  14          HH22      ARG  14  29.609   9.509  -5.297
  132    H    SER  15           H        SER  15  21.042  12.514  -4.124
  133    HA   SER  15           HA       SER  15  18.844  10.797  -4.526
  134    HB2  SER  15           HB2      SER  15  18.802  12.826  -2.326
  135    HB3  SER  15           HB3      SER  15  18.446  11.088  -2.300
  136    HG   SER  15           HG       SER  15  20.315  11.451  -1.215
  137    H    GLN  16           H        GLN  16  19.039  14.390  -4.388
  138    HA   GLN  16           HA       GLN  16  16.282  14.929  -4.274
  139    HB2  GLN  16           HB2      GLN  16  18.726  16.454  -5.237
  140    HB3  GLN  16           HB3      GLN  16  17.135  17.167  -5.422
  141    HG2  GLN  16           HG2      GLN  16  18.189  16.124  -2.769
  142    HG3  GLN  16           HG3      GLN  16  18.378  17.793  -3.286
  143   HE21  GLN  16          HE22      GLN  16  16.906  16.666  -0.955
  144   HE22  GLN  16          HE21      GLN  16  15.274  17.301  -1.086
  145    H    MET  17           H        MET  17  18.385  14.554  -7.182
  146    HA   MET  17           HA       MET  17  16.232  15.065  -9.056
  147    HB2  MET  17           HB2      MET  17  18.937  13.683  -9.264
  148    HB3  MET  17           HB3      MET  17  17.802  13.777 -10.610
  149    HG2  MET  17           HG2      MET  17  17.720  16.307 -10.188
  150    HG3  MET  17           HG3      MET  17  19.179  16.085  -9.218
  151    HE1  MET  17           HE1      MET  17  20.996  14.101 -10.676
  152    HE2  MET  17           HE2      MET  17  21.850  15.123 -11.855
  153    HE3  MET  17           HE3      MET  17  21.533  15.736 -10.214
  154    H    ALA  18           H        ALA  18  17.616  12.038  -7.662
  155    HA   ALA  18           HA       ALA  18  16.056  10.262  -9.192
  156    HB1  ALA  18           HB1      ALA  18  16.921   9.847  -6.301
  157    HB2  ALA  18           HB2      ALA  18  16.634   8.622  -7.558
  158    HB3  ALA  18           HB3      ALA  18  18.033   9.700  -7.678
  159    H    GLU  19           H        GLU  19  15.292  11.984  -6.188
  160    HA   GLU  19           HA       GLU  19  12.792  10.665  -5.758
  161    HB2  GLU  19           HB2      GLU  19  13.696  11.681  -3.908
  162    HB3  GLU  19           HB3      GLU  19  14.046  13.210  -4.738
  163    HG2  GLU  19           HG2      GLU  19  11.714  13.837  -4.720
  164    HG3  GLU  19           HG3      GLU  19  11.219  12.233  -4.170
  165    H    GLY  20           H        GLY  20  13.487  13.927  -7.181
  166    HA2  GLY  20           HA2      GLY  20  10.891  14.607  -7.926
  167    HA3  GLY  20           HA3      GLY  20  12.346  15.055  -8.834
  168    H    PHE  21           H        PHE  21  13.151  12.446  -9.818
  169    HA   PHE  21           HA       PHE  21  11.196  12.106 -11.929
  170    HB2  PHE  21           HB2      PHE  21  13.535  10.310 -11.199
  171    HB3  PHE  21           HB3      PHE  21  12.547  10.172 -12.649
  172    HD1  PHE  21           HD1      PHE  21  12.313  12.564 -14.036
  173    HD2  PHE  21           HD2      PHE  21  15.603  11.329 -11.540
  174    HE1  PHE  21           HE1      PHE  21  13.697  14.440 -14.907
  175    HE2  PHE  21           HE2      PHE  21  16.995  13.143 -12.491
  176    HZ   PHE  21           HZ       PHE  21  15.968  14.769 -14.082
  177    H    ALA  22           H        ALA  22  11.986  10.146  -8.985
  178    HA   ALA  22           HA       ALA  22  10.236   8.022  -9.534
  179    HB1  ALA  22           HB1      ALA  22  11.115   9.182  -6.875
  180    HB2  ALA  22           HB2      ALA  22  10.402   7.574  -7.095
  181    HB3  ALA  22           HB3      ALA  22  11.981   7.956  -7.814
  182    H    LYS  23           H        LYS  23   9.443  11.075  -7.683
  183    HA   LYS  23           HA       LYS  23   6.748  10.196  -7.333
  184    HB2  LYS  23           HB2      LYS  23   6.363  12.681  -6.760
  185    HB3  LYS  23           HB3      LYS  23   7.283  11.642  -5.705
  186    HG2  LYS  23           HG2      LYS  23   9.265  12.658  -6.042
  187    HG3  LYS  23           HG3      LYS  23   8.853  13.275  -7.659
  188    HD2  LYS  23           HD2      LYS  23   7.500  14.259  -5.118
  189    HD3  LYS  23           HD3      LYS  23   9.037  14.944  -5.695
  190    HE2  LYS  23           HE2      LYS  23   8.065  15.458  -7.880
  191    HE3  LYS  23           HE3      LYS  23   6.510  14.748  -7.400
  192    HZ1  LYS  23           HZ1      LYS  23   6.481  17.158  -7.187
  193    HZ2  LYS  23           HZ2      LYS  23   6.311  16.489  -5.713
  194    HZ3  LYS  23           HZ3      LYS  23   7.742  17.147  -6.154
  195    H    THR  24           H        THR  24   8.277  11.349 -10.221
  196    HA   THR  24           HA       THR  24   5.679  12.096 -11.310
  197    HB   THR  24           HB       THR  24   8.464  11.893 -12.572
  198    HG1  THR  24           HG1      THR  24   8.640  13.470 -11.062
  199   HG21  THR  24          HG21      THR  24   6.692  11.892 -14.221
  200   HG22  THR  24          HG22      THR  24   5.918  13.298 -13.450
  201   HG23  THR  24          HG23      THR  24   7.512  13.464 -14.235
  202    H    LEU  25           H        LEU  25   8.203   9.621 -11.673
  203    HA   LEU  25           HA       LEU  25   6.958   8.262 -13.853
  204    HB2  LEU  25           HB2      LEU  25   9.216   7.507 -11.949
  205    HB3  LEU  25           HB3      LEU  25   8.797   6.593 -13.393
  206    HG   LEU  25           HG       LEU  25   9.788   9.486 -13.411
  207   HD11  LEU  25          HD11      LEU  25  11.173   6.805 -13.783
  208   HD12  LEU  25          HD12      LEU  25  11.877   8.354 -14.313
  209   HD13  LEU  25          HD13      LEU  25  11.517   8.078 -12.605
  210   HD21  LEU  25          HD21      LEU  25   8.417   8.957 -15.395
  211   HD22  LEU  25          HD22      LEU  25  10.123   9.064 -15.835
  212   HD23  LEU  25          HD23      LEU  25   9.354   7.469 -15.668
  213    H    GLY  26           H        GLY  26   7.294   7.608 -10.386
  214    HA2  GLY  26           HA2      GLY  26   5.689   5.115 -10.698
  215    HA3  GLY  26           HA3      GLY  26   6.980   5.388  -9.532
  216    H    ALA  27           H        ALA  27   5.385   8.257  -9.278
  217    HA   ALA  27           HA       ALA  27   3.876   7.640  -6.979
  218    HB1  ALA  27           HB1      ALA  27   4.428   9.941  -7.466
  219    HB2  ALA  27           HB2      ALA  27   3.575   9.892  -9.027
  220    HB3  ALA  27           HB3      ALA  27   2.666   9.813  -7.499
  221    H    GLY  28           H        GLY  28   2.338   6.176  -6.840
  222    HA2  GLY  28           HA2      GLY  28  -0.101   5.763  -7.698
  223    HA3  GLY  28           HA3      GLY  28   0.736   5.421  -9.223
  224    H    LYS  29           H        LYS  29   3.129   4.257  -7.859
  225    HA   LYS  29           HA       LYS  29   1.991   1.864  -6.480
  226    HB2  LYS  29           HB2      LYS  29   3.559   0.394  -7.521
  227    HB3  LYS  29           HB3      LYS  29   2.555   1.135  -8.759
  228    HG2  LYS  29           HG2      LYS  29   5.277   2.319  -8.112
  229    HG3  LYS  29           HG3      LYS  29   5.201   0.832  -9.035
  230    HD2  LYS  29           HD2      LYS  29   3.742   3.376  -9.826
  231    HD3  LYS  29           HD3      LYS  29   5.393   2.985 -10.321
  232    HE2  LYS  29           HE2      LYS  29   4.644   0.861 -11.337
  233    HE3  LYS  29           HE3      LYS  29   2.971   1.220 -10.897
  234    HZ1  LYS  29           HZ1      LYS  29   3.417   1.800 -13.190
  235    HZ2  LYS  29           HZ2      LYS  29   3.075   3.161 -12.367
  236    HZ3  LYS  29           HZ3      LYS  29   4.623   2.811 -12.781
  237    H    ILE  30           H        ILE  30   4.480   4.312  -6.733
  238    HA   ILE  30           HA       ILE  30   5.527   3.307  -4.131
  239    HB   ILE  30           HB       ILE  30   7.655   4.429  -4.696
  240   HG12  ILE  30          HG12      ILE  30   6.849   4.361  -7.603
  241   HG13  ILE  30          HG13      ILE  30   6.664   5.830  -6.627
  242   HG21  ILE  30          HG21      ILE  30   6.803   2.094  -6.465
  243   HG22  ILE  30          HG22      ILE  30   8.478   2.586  -6.147
  244   HG23  ILE  30          HG23      ILE  30   7.461   2.048  -4.817
  245   HD11  ILE  30          HD11      ILE  30   9.072   5.806  -6.098
  246   HD12  ILE  30          HD12      ILE  30   9.295   4.409  -7.218
  247   HD13  ILE  30          HD13      ILE  30   8.736   5.966  -7.834
  248    H    ALA  31           H        ALA  31   6.137   4.765  -2.596
  249    HA   ALA  31           HA       ALA  31   5.440   7.646  -2.962
  250    HB1  ALA  31           HB1      ALA  31   3.950   6.648  -1.287
  251    HB2  ALA  31           HB2      ALA  31   5.320   5.828  -0.496
  252    HB3  ALA  31           HB3      ALA  31   5.184   7.599  -0.447
  253    H    VAL  32           H        VAL  32   7.285   8.905  -2.747
  254    HA   VAL  32           HA       VAL  32   9.789   7.512  -2.064
  255    HB   VAL  32           HB       VAL  32   9.532   8.016  -4.335
  256   HG11  VAL  32          HG11      VAL  32   7.812   9.654  -4.502
  257   HG12  VAL  32          HG12      VAL  32   8.809  10.873  -3.656
  258   HG13  VAL  32          HG13      VAL  32   9.256  10.288  -5.270
  259   HG21  VAL  32          HG21      VAL  32  11.319  10.197  -3.176
  260   HG22  VAL  32          HG22      VAL  32  11.762   8.483  -3.340
  261   HG23  VAL  32          HG23      VAL  32  11.409   9.487  -4.771
  262    H    THR  33           H        THR  33  11.420   8.472  -0.889
  263    HA   THR  33           HA       THR  33  11.170  11.281  -0.149
  264    HB   THR  33           HB       THR  33  11.967   9.131   1.855
  265    HG1  THR  33           HG1      THR  33   9.449  10.184   1.286
  266   HG21  THR  33          HG21      THR  33  12.868  11.331   2.398
  267   HG22  THR  33          HG22      THR  33  11.263  12.075   2.220
  268   HG23  THR  33          HG23      THR  33  11.586  10.921   3.534
  269    H    SER  34           H        SER  34  13.300  12.263  -0.237
  270    HA   SER  34           HA       SER  34  15.585  10.391  -0.515
  271    HB2  SER  34           HB2      SER  34  16.738  12.039  -1.710
  272    HB3  SER  34           HB3      SER  34  15.171  11.880  -2.478
  273    HG   SER  34           HG       SER  34  14.606  13.854  -1.775
  274    H    CYS  35           H        CYS  35  17.529  10.933   0.617
  275    HA   CYS  35           HA       CYS  35  17.454  12.912   2.753
  276    HB2  CYS  35           HB2      CYS  35  17.370   9.891   3.184
  277    HB3  CYS  35           HB3      CYS  35  18.148  10.953   4.360
  278    HG   CYS  35           HG       CYS  35  15.181  11.676   3.224
  279    H    GLY  36           H        GLY  36  19.751  12.141   4.034
  280    HA2  GLY  36           HA2      GLY  36  21.633  10.913   2.240
  281    HA3  GLY  36           HA3      GLY  36  21.994  12.626   2.559
  282    H    LEU  37           H        LEU  37  23.670  10.508   3.348
  283    HA   LEU  37           HA       LEU  37  23.428   9.693   6.057
  284    HB2  LEU  37           HB2      LEU  37  25.759  10.213   4.207
  285    HB3  LEU  37           HB3      LEU  37  26.086   9.931   5.906
  286    HG   LEU  37           HG       LEU  37  24.461   7.985   4.223
  287   HD11  LEU  37          HD11      LEU  37  26.740   8.190   3.305
  288   HD12  LEU  37          HD12      LEU  37  27.431   7.914   4.920
  289   HD13  LEU  37          HD13      LEU  37  26.512   6.629   4.103
  290   HD21  LEU  37          HD21      LEU  37  25.810   7.779   6.963
  291   HD22  LEU  37          HD22      LEU  37  24.068   7.695   6.627
  292   HD23  LEU  37          HD23      LEU  37  25.135   6.401   6.082
  293    H    GLU  38           H        GLU  38  24.263  12.793   4.661
  294    HA   GLU  38           HA       GLU  38  23.778  14.062   7.218
  295    HB2  GLU  38           HB2      GLU  38  26.308  13.826   7.037
  296    HB3  GLU  38           HB3      GLU  38  26.232  14.812   5.565
  297    HG2  GLU  38           HG2      GLU  38  25.297  16.693   6.854
  298    HG3  GLU  38           HG3      GLU  38  25.219  15.692   8.304
  299    H    SER  39           H        SER  39  22.850  16.128   6.791
  300    HA   SER  39           HA       SER  39  21.521  16.313   4.222
  301    HB2  SER  39           HB2      SER  39  20.609  18.457   5.465
  302    HB3  SER  39           HB3      SER  39  20.138  16.849   6.017
  303    HG   SER  39           HG       SER  39  20.813  18.273   7.723
  304    H    SER  40           H        SER  40  21.338  18.410   3.123
  305    HA   SER  40           HA       SER  40  23.460  20.356   3.273
  306    HB2  SER  40           HB2      SER  40  23.928  20.012   0.738
  307    HB3  SER  40           HB3      SER  40  24.732  18.989   1.917
  308    HG   SER  40           HG       SER  40  23.855  17.913   0.070
  309    H    ARG  41           H        ARG  41  22.472  21.198   0.419
  310    HA   ARG  41           HA       ARG  41  19.618  21.728   0.958
  311    HB2  ARG  41           HB2      ARG  41  21.663  23.877   0.210
  312    HB3  ARG  41           HB3      ARG  41  19.909  24.080   0.148
  313    HG2  ARG  41           HG2      ARG  41  19.773  23.663   2.603
  314    HG3  ARG  41           HG3      ARG  41  21.541  23.529   2.666
  315    HD2  ARG  41           HD2      ARG  41  21.756  25.836   1.793
  316    HD3  ARG  41           HD3      ARG  41  20.000  25.999   1.750
  317    HE   ARG  41           HE       ARG  41  21.783  26.037   4.082
  318   HH11  ARG  41          HH11      ARG  41  18.397  25.837   3.023
  319   HH12  ARG  41          HH12      ARG  41  17.746  26.317   4.545
  320   HH21  ARG  41          HH21      ARG  41  20.916  26.675   6.106
  321   HH22  ARG  41          HH22      ARG  41  19.215  26.806   6.334
  322    H    VAL  42           H        VAL  42  18.533  22.308  -1.212
  323    HA   VAL  42           HA       VAL  42  19.429  20.289  -3.028
  324    HB   VAL  42           HB       VAL  42  17.355  22.444  -3.604
  325   HG11  VAL  42          HG11      VAL  42  16.464  20.717  -5.154
  326   HG12  VAL  42          HG12      VAL  42  18.124  21.164  -5.583
  327   HG13  VAL  42          HG13      VAL  42  17.817  19.641  -4.740
  328   HG21  VAL  42          HG21      VAL  42  16.633  21.404  -1.564
  329   HG22  VAL  42          HG22      VAL  42  15.711  20.645  -2.866
  330   HG23  VAL  42          HG23      VAL  42  17.091  19.792  -2.136
  331    H    HIS  43           H        HIS  43  20.769  20.437  -4.738
  332    HA   HIS  43           HA       HIS  43  22.325  22.825  -5.083
  333    HB2  HIS  43           HB2      HIS  43  22.885  20.282  -5.323
  334    HB3  HIS  43           HB3      HIS  43  22.258  20.441  -6.959
  335    HD1  HIS  43           HD1      HIS  43  23.948  21.682  -8.663
  336    HD2  HIS  43           HD2      HIS  43  25.113  21.671  -4.625
  337    HE1  HIS  43           HE1      HIS  43  26.357  22.497  -8.606
  338    HA   PRO  44           HA       PRO  44  19.418  24.711  -7.761
  339    HB2  PRO  44           HB2      PRO  44  20.849  26.642  -9.083
  340    HB3  PRO  44           HB3      PRO  44  20.537  26.697  -7.322
  341    HG2  PRO  44           HG2      PRO  44  23.037  25.758  -8.746
  342    HG3  PRO  44           HG3      PRO  44  22.906  26.806  -7.302
  343    HD2  PRO  44           HD2      PRO  44  23.403  24.083  -7.207
  344    HD3  PRO  44           HD3      PRO  44  22.559  24.968  -5.891
  345    H    THR  45           H        THR  45  22.395  23.745  -9.550
  346    HA   THR  45           HA       THR  45  21.132  23.708 -12.038
  347    HB   THR  45           HB       THR  45  23.457  22.033 -11.015
  348    HG1  THR  45           HG1      THR  45  24.750  23.827 -11.457
  349   HG21  THR  45          HG21      THR  45  22.931  21.442 -13.318
  350   HG22  THR  45          HG22      THR  45  22.971  23.156 -13.802
  351   HG23  THR  45          HG23      THR  45  24.456  22.320 -13.247
  352    H    ALA  46           H        ALA  46  20.755  21.475  -9.416
  353    HA   ALA  46           HA       ALA  46  19.998  19.109 -10.843
  354    HB1  ALA  46           HB1      ALA  46  20.340  19.489  -8.285
  355    HB2  ALA  46           HB2      ALA  46  18.665  20.184  -8.324
  356    HB3  ALA  46           HB3      ALA  46  18.946  18.500  -8.789
  357    H    ILE  47           H        ILE  47  18.257  22.187  -9.956
  358    HA   ILE  47           HA       ILE  47  15.740  21.194 -10.668
  359    HB   ILE  47           HB       ILE  47  16.881  24.026 -10.479
  360   HG12  ILE  47          HG12      ILE  47  15.007  23.788  -8.538
  361   HG13  ILE  47          HG13      ILE  47  15.486  22.103  -8.617
  362   HG21  ILE  47          HG21      ILE  47  14.513  24.779 -10.469
  363   HG22  ILE  47          HG22      ILE  47  15.071  24.155 -12.019
  364   HG23  ILE  47          HG23      ILE  47  14.036  23.139 -10.990
  365   HD11  ILE  47          HD11      ILE  47  16.720  23.349  -6.899
  366   HD12  ILE  47          HD12      ILE  47  17.845  22.829  -8.196
  367   HD13  ILE  47          HD13      ILE  47  17.285  24.508  -8.127
  368    H    ALA  48           H        ALA  48  18.328  22.885 -12.487
  369    HA   ALA  48           HA       ALA  48  16.862  23.336 -14.806
  370    HB1  ALA  48           HB1      ALA  48  19.861  22.861 -14.584
  371    HB2  ALA  48           HB2      ALA  48  19.019  23.653 -15.928
  372    HB3  ALA  48           HB3      ALA  48  19.031  24.419 -14.327
  373    H    MET  49           H        MET  49  18.682  20.454 -13.828
  374    HA   MET  49           HA       MET  49  18.508  19.041 -16.312
  375    HB2  MET  49           HB2      MET  49  18.762  18.184 -13.394
  376    HB3  MET  49           HB3      MET  49  18.665  16.996 -14.685
  377    HG2  MET  49           HG2      MET  49  20.745  19.175 -14.444
  378    HG3  MET  49           HG3      MET  49  20.949  17.444 -14.119
  379    HE1  MET  49           HE1      MET  49  22.740  19.345 -16.606
  380    HE2  MET  49           HE2      MET  49  21.736  19.492 -18.036
  381    HE3  MET  49           HE3      MET  49  21.199  20.265 -16.520
  382    H    MET  50           H        MET  50  16.395  19.146 -13.481
  383    HA   MET  50           HA       MET  50  14.543  17.186 -14.526
  384    HB2  MET  50           HB2      MET  50  14.370  19.154 -12.195
  385    HB3  MET  50           HB3      MET  50  13.194  17.884 -12.556
  386    HG2  MET  50           HG2      MET  50  15.520  16.428 -12.702
  387    HG3  MET  50           HG3      MET  50  16.028  17.650 -11.581
  388    HE1  MET  50           HE1      MET  50  13.139  15.611 -12.618
  389    HE2  MET  50           HE2      MET  50  13.474  14.216 -11.566
  390    HE3  MET  50           HE3      MET  50  12.191  15.369 -11.134
  391    H    GLU  51           H        GLU  51  14.778  20.759 -14.567
  392    HA   GLU  51           HA       GLU  51  12.295  21.226 -15.854
  393    HB2  GLU  51           HB2      GLU  51  14.946  22.676 -15.731
  394    HB3  GLU  51           HB3      GLU  51  13.654  23.265 -16.783
  395    HG2  GLU  51           HG2      GLU  51  12.111  23.305 -14.800
  396    HG3  GLU  51           HG3      GLU  51  13.481  22.930 -13.759
  397    H    GLU  52           H        GLU  52  15.399  20.049 -17.165
  398    HA   GLU  52           HA       GLU  52  14.657  20.347 -19.894
  399    HB2  GLU  52           HB2      GLU  52  16.346  18.065 -18.843
  400    HB3  GLU  52           HB3      GLU  52  16.278  18.686 -20.480
  401    HG2  GLU  52           HG2      GLU  52  17.050  20.965 -19.232
  402    HG3  GLU  52           HG3      GLU  52  17.709  19.776 -18.105
  403    H    VAL  53           H        VAL  53  13.990  17.826 -17.468
  404    HA   VAL  53           HA       VAL  53  12.615  16.150 -19.471
  405    HB   VAL  53           HB       VAL  53  12.822  15.898 -16.452
  406   HG11  VAL  53          HG11      VAL  53  10.864  14.622 -17.238
  407   HG12  VAL  53          HG12      VAL  53  11.840  13.876 -18.522
  408   HG13  VAL  53          HG13      VAL  53  12.170  13.518 -16.812
  409   HG21  VAL  53          HG21      VAL  53  14.456  14.064 -17.088
  410   HG22  VAL  53          HG22      VAL  53  14.332  14.592 -18.770
  411   HG23  VAL  53          HG23      VAL  53  15.007  15.683 -17.545
  412    H    GLY  54           H        GLY  54  11.725  18.726 -17.269
  413    HA2  GLY  54           HA2      GLY  54   9.733  20.011 -17.757
  414    HA3  GLY  54           HA3      GLY  54   8.864  18.521 -18.144
  415    H    ILE  55           H        ILE  55  11.073  18.738 -15.394
  416    HA   ILE  55           HA       ILE  55   8.793  18.712 -13.456
  417    HB   ILE  55           HB       ILE  55  11.297  17.001 -13.382
  418   HG12  ILE  55          HG12      ILE  55   8.546  15.770 -13.655
  419   HG13  ILE  55          HG13      ILE  55   9.345  16.343 -15.107
  420   HG21  ILE  55          HG21      ILE  55   8.910  17.178 -11.499
  421   HG22  ILE  55          HG22      ILE  55   9.924  15.737 -11.560
  422   HG23  ILE  55          HG23      ILE  55  10.649  17.262 -11.100
  423   HD11  ILE  55          HD11      ILE  55  10.552  14.323 -13.201
  424   HD12  ILE  55          HD12      ILE  55   9.883  14.024 -14.819
  425   HD13  ILE  55          HD13      ILE  55  11.334  15.031 -14.638
  426    H    ASP  56           H        ASP  56  10.053  19.061 -11.103
  427    HA   ASP  56           HA       ASP  56  12.109  21.174 -11.291
  428    HB2  ASP  56           HB2      ASP  56  10.093  22.501 -11.388
  429    HB3  ASP  56           HB3      ASP  56   9.304  21.483 -10.168
  430    H    ILE  57           H        ILE  57  13.086  21.507  -9.211
  431    HA   ILE  57           HA       ILE  57  12.266  19.708  -7.033
  432    HB   ILE  57           HB       ILE  57  15.146  20.260  -7.167
  433   HG12  ILE  57          HG12      ILE  57  14.014  18.108  -8.966
  434   HG13  ILE  57          HG13      ILE  57  14.840  19.560  -9.529
  435   HG21  ILE  57          HG21      ILE  57  14.078  19.037  -5.339
  436   HG22  ILE  57          HG22      ILE  57  13.439  17.827  -6.486
  437   HG23  ILE  57          HG23      ILE  57  15.176  17.964  -6.161
  438   HD11  ILE  57          HD11      ILE  57  16.779  18.797  -7.939
  439   HD12  ILE  57          HD12      ILE  57  16.014  17.204  -8.089
  440   HD13  ILE  57          HD13      ILE  57  16.583  18.059  -9.538
  441    H    SER  58           H        SER  58  13.205  22.929  -8.000
  442    HA   SER  58           HA       SER  58  14.128  23.972  -5.592
  443    HB2  SER  58           HB2      SER  58  13.181  26.151  -6.311
  444    HB3  SER  58           HB3      SER  58  14.156  25.369  -7.534
  445    HG   SER  58           HG       SER  58  12.119  24.611  -8.484
  446    H    GLY  59           H        GLY  59  10.805  23.035  -6.425
  447    HA2  GLY  59           HA2      GLY  59   9.435  24.381  -4.325
  448    HA3  GLY  59           HA3      GLY  59   8.861  23.004  -5.275
  449    H    GLN  60           H        GLN  60  11.563  21.627  -4.077
  450    HA   GLN  60           HA       GLN  60  10.436  20.977  -1.445
  451    HB2  GLN  60           HB2      GLN  60  10.968  18.681  -1.750
  452    HB3  GLN  60           HB3      GLN  60   9.959  19.232  -3.094
  453    HG2  GLN  60           HG2      GLN  60  11.789  19.159  -4.642
  454    HG3  GLN  60           HG3      GLN  60  12.970  18.987  -3.342
  455   HE21  GLN  60          HE22      GLN  60  13.873  17.046  -4.045
  456   HE22  GLN  60          HE21      GLN  60  13.028  15.533  -3.785
  457    H    THR  61           H        THR  61  12.169  19.834  -0.057
  458    HA   THR  61           HA       THR  61  14.691  21.388  -0.227
  459    HB   THR  61           HB       THR  61  14.391  21.440   2.314
  460    HG1  THR  61           HG1      THR  61  12.812  19.914   2.658
  461   HG21  THR  61          HG21      THR  61  12.224  22.765   0.634
  462   HG22  THR  61          HG22      THR  61  12.814  23.306   2.226
  463   HG23  THR  61          HG23      THR  61  13.896  23.356   0.821
  464    H    SER  62           H        SER  62  16.422  20.565   1.176
  465    HA   SER  62           HA       SER  62  16.785  17.660   0.974
  466    HB2  SER  62           HB2      SER  62  18.507  19.962   1.962
  467    HB3  SER  62           HB3      SER  62  19.043  18.268   1.947
  468    HG   SER  62           HG       SER  62  18.775  18.219  -0.253
  469    H    ASP  63           H        ASP  63  17.444  16.391   2.832
  470    HA   ASP  63           HA       ASP  63  16.659  17.321   5.511
  471    HB2  ASP  63           HB2      ASP  63  14.559  16.535   4.067
  472    HB3  ASP  63           HB3      ASP  63  15.173  14.920   4.402
  473    HA   PRO  64           HA       PRO  64  19.712  14.076   6.149
  474    HB2  PRO  64           HB2      PRO  64  19.815  13.873   8.857
  475    HB3  PRO  64           HB3      PRO  64  20.340  15.350   8.000
  476    HG2  PRO  64           HG2      PRO  64  17.688  14.821   9.364
  477    HG3  PRO  64           HG3      PRO  64  18.720  16.278   9.477
  478    HD2  PRO  64           HD2      PRO  64  16.546  16.053   7.790
  479    HD3  PRO  64           HD3      PRO  64  17.960  17.088   7.421
  480    H    ILE  65           H        ILE  65  19.874  11.848   6.511
  481    HA   ILE  65           HA       ILE  65  17.589  10.205   6.420
  482    HB   ILE  65           HB       ILE  65  19.825   9.602   5.683
  483   HG12  ILE  65          HG12      ILE  65  18.667   7.618   7.668
  484   HG13  ILE  65          HG13      ILE  65  17.946   8.001   6.095
  485   HG21  ILE  65          HG21      ILE  65  21.170  10.410   7.655
  486   HG22  ILE  65          HG22      ILE  65  20.532   9.048   8.603
  487   HG23  ILE  65          HG23      ILE  65  21.544   8.757   7.181
  488   HD11  ILE  65          HD11      ILE  65  20.623   6.678   6.611
  489   HD12  ILE  65          HD12      ILE  65  19.221   6.063   5.708
  490   HD13  ILE  65          HD13      ILE  65  20.152   7.402   5.050
  491    H    GLU  66           H        GLU  66  19.364  11.418   9.206
  492    HA   GLU  66           HA       GLU  66  18.480   9.776  11.235
  493    HB2  GLU  66           HB2      GLU  66  18.953  12.778  11.470
  494    HB3  GLU  66           HB3      GLU  66  19.163  11.552  12.723
  495    HG2  GLU  66           HG2      GLU  66  20.997  10.537  11.241
  496    HG3  GLU  66           HG3      GLU  66  20.878  11.987  10.233
  497    H    ASN  67           H        ASN  67  16.587  12.132   9.496
  498    HA   ASN  67           HA       ASN  67  14.706  12.692  11.641
  499    HB2  ASN  67           HB2      ASN  67  15.372  14.295   9.810
  500    HB3  ASN  67           HB3      ASN  67  14.523  13.253   8.668
  501   HD21  ASN  67          HD22      ASN  67  13.088  14.907   8.097
  502   HD22  ASN  67          HD21      ASN  67  11.787  15.449   9.163
  503    H    PHE  68           H        PHE  68  15.069   9.919   9.597
  504    HA   PHE  68           HA       PHE  68  12.192   9.237   9.995
  505    HB2  PHE  68           HB2      PHE  68  13.988   8.649   7.614
  506    HB3  PHE  68           HB3      PHE  68  12.393   7.950   7.894
  507    HD1  PHE  68           HD2      PHE  68  10.355   9.189   7.558
  508    HD2  PHE  68           HD1      PHE  68  14.208  11.026   6.930
  509    HE1  PHE  68           HE2      PHE  68   9.254  11.116   6.434
  510    HE2  PHE  68           HE1      PHE  68  13.110  12.905   5.743
  511    HZ   PHE  68           HZ       PHE  68  10.634  12.980   5.526
  512    H    ASN  69           H        ASN  69  12.024   6.785   9.455
  513    HA   ASN  69           HA       ASN  69  14.125   5.188  10.802
  514    HB2  ASN  69           HB2      ASN  69  12.118   3.736  11.584
  515    HB3  ASN  69           HB3      ASN  69  12.577   5.161  12.512
  516   HD21  ASN  69          HD22      ASN  69  10.541   4.992   9.491
  517   HD22  ASN  69          HD21      ASN  69   9.126   5.683  10.266
  518    H    ALA  70           H        ALA  70  14.794   3.658   9.501
  519    HA   ALA  70           HA       ALA  70  13.982   3.348   6.883
  520    HB1  ALA  70           HB1      ALA  70  16.175   2.590   8.072
  521    HB2  ALA  70           HB2      ALA  70  15.284   1.098   8.432
  522    HB3  ALA  70           HB3      ALA  70  15.528   1.585   6.753
  523    H    ASP  71           H        ASP  71  12.661   1.693   9.698
  524    HA   ASP  71           HA       ASP  71  11.682  -0.609   8.411
  525    HB2  ASP  71           HB2      ASP  71  11.857  -0.362  10.854
  526    HB3  ASP  71           HB3      ASP  71  10.618   0.896  10.836
  527    H    ASP  72           H        ASP  72  10.549   2.687   8.159
  528    HA   ASP  72           HA       ASP  72   7.832   1.965   7.407
  529    HB2  ASP  72           HB2      ASP  72   8.358   4.036   8.656
  530    HB3  ASP  72           HB3      ASP  72   9.331   4.606   7.292
  531    H    TYR  73           H        TYR  73  10.962   2.094   5.920
  532    HA   TYR  73           HA       TYR  73   9.913   2.660   3.283
  533    HB2  TYR  73           HB2      TYR  73  12.716   2.690   4.409
  534    HB3  TYR  73           HB3      TYR  73  12.349   2.834   2.689
  535    HD1  TYR  73           HD2      TYR  73  11.122   4.771   1.791
  536    HD2  TYR  73           HD1      TYR  73  12.157   4.544   5.969
  537    HE1  TYR  73           HE2      TYR  73  10.452   7.126   2.074
  538    HE2  TYR  73           HE1      TYR  73  11.575   6.931   6.262
  539    HH   TYR  73           HH       TYR  73  10.267   8.896   3.519
  540    H    ASP  74           H        ASP  74   9.804   1.135   1.766
  541    HA   ASP  74           HA       ASP  74  10.317  -1.673   2.588
  542    HB2  ASP  74           HB2      ASP  74   8.104  -0.805   1.567
  543    HB3  ASP  74           HB3      ASP  74   8.996  -0.749   0.047
  544    H    VAL  75           H        VAL  75  11.536   0.883   0.529
  545    HA   VAL  75           HA       VAL  75  13.669  -0.942  -0.453
  546    HB   VAL  75           HB       VAL  75  12.461  -1.150  -2.292
  547   HG11  VAL  75          HG11      VAL  75  10.811   0.281  -3.332
  548   HG12  VAL  75          HG12      VAL  75  10.392  -0.265  -1.717
  549   HG13  VAL  75          HG13      VAL  75  10.952   1.397  -1.960
  550   HG21  VAL  75          HG21      VAL  75  13.102   0.224  -4.111
  551   HG22  VAL  75          HG22      VAL  75  13.383   1.629  -3.054
  552   HG23  VAL  75          HG23      VAL  75  14.461   0.221  -2.989
  553    H    VAL  76           H        VAL  76  15.676  -0.083  -0.474
  554    HA   VAL  76           HA       VAL  76  15.877   2.892  -0.172
  555    HB   VAL  76           HB       VAL  76  17.711   0.941   1.211
  556   HG11  VAL  76          HG11      VAL  76  18.740   3.104   0.803
  557   HG12  VAL  76          HG12      VAL  76  17.361   3.920   1.575
  558   HG13  VAL  76          HG13      VAL  76  18.429   2.862   2.518
  559   HG21  VAL  76          HG21      VAL  76  15.456   0.736   2.212
  560   HG22  VAL  76          HG22      VAL  76  16.649   1.405   3.308
  561   HG23  VAL  76          HG23      VAL  76  15.450   2.483   2.528
  562    H    ILE  77           H        ILE  77  17.023   3.848  -1.621
  563    HA   ILE  77           HA       ILE  77  19.026   2.382  -3.234
  564    HB   ILE  77           HB       ILE  77  17.264   4.784  -3.861
  565   HG12  ILE  77          HG12      ILE  77  15.962   2.777  -4.079
  566   HG13  ILE  77          HG13      ILE  77  16.380   3.375  -5.680
  567   HG21  ILE  77          HG21      ILE  77  19.450   5.147  -4.855
  568   HG22  ILE  77          HG22      ILE  77  19.475   3.506  -5.509
  569   HG23  ILE  77          HG23      ILE  77  18.301   4.713  -6.103
  570   HD11  ILE  77          HD11      ILE  77  17.801   1.058  -4.290
  571   HD12  ILE  77          HD12      ILE  77  16.538   0.909  -5.529
  572   HD13  ILE  77          HD13      ILE  77  18.097   1.653  -5.932
  573    H    SER  78           H        SER  78  20.839   2.678  -2.209
  574    HA   SER  78           HA       SER  78  21.495   5.323  -1.057
  575    HB2  SER  78           HB2      SER  78  23.049   2.740  -1.343
  576    HB3  SER  78           HB3      SER  78  23.805   4.303  -0.925
  577    HG   SER  78           HG       SER  78  23.218   3.206   0.933
  578    H    LEU  79           H        LEU  79  23.040   6.570  -2.047
  579    HA   LEU  79           HA       LEU  79  24.239   5.932  -4.593
  580    HB2  LEU  79           HB2      LEU  79  23.311   8.520  -5.138
  581    HB3  LEU  79           HB3      LEU  79  22.904   7.045  -5.921
  582    HG   LEU  79           HG       LEU  79  20.938   6.895  -4.114
  583   HD11  LEU  79          HD11      LEU  79  20.231   8.974  -3.239
  584   HD12  LEU  79          HD12      LEU  79  21.968   8.875  -2.905
  585   HD13  LEU  79          HD13      LEU  79  21.397   9.880  -4.225
  586   HD21  LEU  79          HD21      LEU  79  19.501   8.263  -5.595
  587   HD22  LEU  79          HD22      LEU  79  20.942   8.840  -6.458
  588   HD23  LEU  79          HD23      LEU  79  20.515   7.117  -6.478
  589    H    CYS  80           H        CYS  80  25.398   5.750  -2.331
  590    HA   CYS  80           HA       CYS  80  26.595   8.322  -1.453
  591    HB2  CYS  80           HB2      CYS  80  27.098   5.437  -0.606
  592    HB3  CYS  80           HB3      CYS  80  27.918   6.874   0.055
  593    HG   CYS  80           HG       CYS  80  24.648   6.322  -0.034
  594    H    GLY  81           H        GLY  81  27.317   5.338  -3.295
  595    HA2  GLY  81           HA2      GLY  81  28.352   5.183  -5.304
  596    HA3  GLY  81           HA3      GLY  81  28.740   6.906  -5.269
  597    H    CYS  82           H        CYS  82  30.366   7.007  -2.931
  598    HA   CYS  82           HA       CYS  82  32.839   5.967  -3.946
  599    HB2  CYS  82           HB2      CYS  82  32.234   7.196  -1.211
  600    HB3  CYS  82           HB3      CYS  82  33.816   7.095  -1.995
  601    HG   CYS  82           HG       CYS  82  33.213   8.553  -4.080
  602    H    GLY  83           H        GLY  83  30.938   3.893  -3.340
  603    HA2  GLY  83           HA2      GLY  83  30.528   1.974  -2.332
  604    HA3  GLY  83           HA3      GLY  83  32.280   1.844  -1.991
  605    H    VAL  84           H        VAL  84  30.567   4.523  -0.626
  606    HA   VAL  84           HA       VAL  84  30.740   3.580   2.100
  607    HB   VAL  84           HB       VAL  84  29.767   6.087   0.781
  608   HG11  VAL  84          HG11      VAL  84  29.746   5.492   3.768
  609   HG12  VAL  84          HG12      VAL  84  29.465   7.082   3.028
  610   HG13  VAL  84          HG13      VAL  84  28.319   5.772   2.742
  611   HG21  VAL  84          HG21      VAL  84  32.211   5.818   0.921
  612   HG22  VAL  84          HG22      VAL  84  31.645   7.139   1.948
  613   HG23  VAL  84          HG23      VAL  84  32.084   5.578   2.673
  614    H    ASN  85           H        ASN  85  28.841   3.100   3.341
  615    HA   ASN  85           HA       ASN  85  26.407   2.344   1.834
  616    HB2  ASN  85           HB2      ASN  85  28.286   0.474   1.898
  617    HB3  ASN  85           HB3      ASN  85  27.807   0.289   3.582
  618   HD21  ASN  85          HD22      ASN  85  26.821  -0.101   0.195
  619   HD22  ASN  85          HD21      ASN  85  25.363  -1.010   0.530
  620    H    LEU  86           H        LEU  86  25.020   1.005   3.739
  621    HA   LEU  86           HA       LEU  86  24.762   3.047   5.905
  622    HB2  LEU  86           HB2      LEU  86  22.496   1.669   4.428
  623    HB3  LEU  86           HB3      LEU  86  22.378   2.893   5.687
  624    HG   LEU  86           HG       LEU  86  23.376   3.265   2.831
  625   HD11  LEU  86          HD11      LEU  86  20.923   3.037   3.154
  626   HD12  LEU  86          HD12      LEU  86  20.954   4.393   4.312
  627   HD13  LEU  86          HD13      LEU  86  21.375   4.651   2.607
  628   HD21  LEU  86          HD21      LEU  86  24.677   4.771   4.261
  629   HD22  LEU  86          HD22      LEU  86  23.509   5.673   3.311
  630   HD23  LEU  86          HD23      LEU  86  23.185   5.361   5.035
  631    HA   PRO  87           HA       PRO  87  25.353  -1.023   8.011
  632    HB2  PRO  87           HB2      PRO  87  25.680   1.013  10.216
  633    HB3  PRO  87           HB3      PRO  87  26.541  -0.536   9.971
  634    HG2  PRO  87           HG2      PRO  87  27.709   1.809   9.263
  635    HG3  PRO  87           HG3      PRO  87  27.841   0.375   8.194
  636    HD2  PRO  87           HD2      PRO  87  26.012   2.761   7.917
  637    HD3  PRO  87           HD3      PRO  87  26.921   1.861   6.667
  638    HA   PRO  88           HA       PRO  88  21.735   0.148  10.950
  639    HB2  PRO  88           HB2      PRO  88  20.214   2.304   9.597
  640    HB3  PRO  88           HB3      PRO  88  20.703   2.194  11.306
  641    HG2  PRO  88           HG2      PRO  88  21.843   3.949   9.497
  642    HG3  PRO  88           HG3      PRO  88  22.724   3.258  10.902
  643    HD2  PRO  88           HD2      PRO  88  22.819   2.447   8.023
  644    HD3  PRO  88           HD3      PRO  88  24.131   2.501   9.241
  645    H    GLU  89           H        GLU  89  19.199   0.137  10.698
  646    HA   GLU  89           HA       GLU  89  18.317  -1.927   9.083
  647    HB2  GLU  89           HB2      GLU  89  16.037  -0.943   9.573
  648    HB3  GLU  89           HB3      GLU  89  17.033  -1.418  10.943
  649    HG2  GLU  89           HG2      GLU  89  17.157   1.462  10.077
  650    HG3  GLU  89           HG3      GLU  89  15.655   0.899  10.800
  651    H    TRP  90           H        TRP  90  19.035   1.132   7.971
  652    HA   TRP  90           HA       TRP  90  17.348   1.409   5.676
  653    HB2  TRP  90           HB2      TRP  90  20.131   2.438   6.297
  654    HB3  TRP  90           HB3      TRP  90  19.158   2.941   4.913
  655    HD1  TRP  90           HD1      TRP  90  19.823   3.951   8.376
  656    HE1  TRP  90           HE1      TRP  90  18.135   5.632   9.232
  657    HE3  TRP  90           HE3      TRP  90  16.480   3.663   4.535
  658    HZ2  TRP  90           HZ2      TRP  90  15.629   6.814   8.299
  659    HZ3  TRP  90           HZ3      TRP  90  14.477   5.120   4.509
  660    HH2  TRP  90           HH2      TRP  90  14.039   6.682   6.381
  661    H    VAL  91           H        VAL  91  19.200  -1.169   6.321
  662    HA   VAL  91           HA       VAL  91  19.433  -1.689   3.452
  663    HB   VAL  91           HB       VAL  91  21.630  -1.143   4.624
  664   HG11  VAL  91          HG11      VAL  91  21.473  -3.958   5.781
  665   HG12  VAL  91          HG12      VAL  91  22.771  -2.761   5.980
  666   HG13  VAL  91          HG13      VAL  91  21.202  -2.489   6.726
  667   HG21  VAL  91          HG21      VAL  91  22.993  -2.730   3.457
  668   HG22  VAL  91          HG22      VAL  91  21.633  -3.854   3.269
  669   HG23  VAL  91          HG23      VAL  91  21.611  -2.277   2.457
  670    H    THR  92           H        THR  92  17.541  -2.510   5.943
  671    HA   THR  92           HA       THR  92  17.683  -5.434   5.477
  672    HB   THR  92           HB       THR  92  16.913  -5.709   7.792
  673    HG1  THR  92           HG1      THR  92  15.893  -3.753   8.153
  674   HG21  THR  92          HG21      THR  92  18.971  -5.132   8.916
  675   HG22  THR  92          HG22      THR  92  19.369  -5.649   7.268
  676   HG23  THR  92          HG23      THR  92  19.381  -3.919   7.690
  677    H    GLN  93           H        GLN  93  16.173  -3.689   3.801
  678    HA   GLN  93           HA       GLN  93  13.498  -4.911   4.188
  679    HB2  GLN  93           HB2      GLN  93  12.455  -2.977   3.105
  680    HB3  GLN  93           HB3      GLN  93  13.106  -2.660   4.688
  681    HG2  GLN  93           HG2      GLN  93  14.648  -1.962   2.162
  682    HG3  GLN  93           HG3      GLN  93  13.474  -0.865   2.884
  683   HE21  GLN  93          HE21      GLN  93  13.809  -0.391   5.373
  684   HE22  GLN  93          HE22      GLN  93  15.472  -0.456   5.954
  685    H    GLU  94           H        GLU  94  12.418  -4.332   1.667
  686    HA   GLU  94           HA       GLU  94  13.305  -6.704   0.468
  687    HB2  GLU  94           HB2      GLU  94  11.573  -4.526  -0.748
  688    HB3  GLU  94           HB3      GLU  94  11.760  -6.186  -1.342
  689    HG2  GLU  94           HG2      GLU  94  11.026  -6.921   1.030
  690    HG3  GLU  94           HG3      GLU  94  10.489  -5.252   1.248
  691    H    ILE  95           H        ILE  95  14.220  -3.376  -0.387
  692    HA   ILE  95           HA       ILE  95  16.020  -4.545  -2.489
  693    HB   ILE  95           HB       ILE  95  14.254  -2.132  -2.582
  694   HG12  ILE  95          HG12      ILE  95  13.184  -4.358  -3.118
  695   HG13  ILE  95          HG13      ILE  95  12.998  -3.078  -4.302
  696   HG21  ILE  95          HG21      ILE  95  16.267  -1.401  -3.678
  697   HG22  ILE  95          HG22      ILE  95  16.382  -2.907  -4.610
  698   HG23  ILE  95          HG23      ILE  95  15.080  -1.744  -4.940
  699   HD11  ILE  95          HD11      ILE  95  14.633  -4.087  -5.782
  700   HD12  ILE  95          HD12      ILE  95  15.039  -5.322  -4.558
  701   HD13  ILE  95          HD13      ILE  95  13.434  -5.302  -5.321
  702    H    PHE  96           H        PHE  96  18.018  -3.737  -2.517
  703    HA   PHE  96           HA       PHE  96  18.669  -1.214  -1.292
  704    HB2  PHE  96           HB2      PHE  96  19.234  -2.696   0.549
  705    HB3  PHE  96           HB3      PHE  96  20.164  -3.741  -0.541
  706    HD1  PHE  96           HD1      PHE  96  22.352  -3.011  -1.439
  707    HD2  PHE  96           HD2      PHE  96  19.973  -0.346   0.987
  708    HE1  PHE  96           HE1      PHE  96  24.134  -1.290  -1.576
  709    HE2  PHE  96           HE2      PHE  96  21.807   1.302   0.955
  710    HZ   PHE  96           HZ       PHE  96  23.894   0.843  -0.314
  711    H    GLU  97           H        GLU  97  19.878  -0.155  -2.752
  712    HA   GLU  97           HA       GLU  97  21.931  -1.604  -4.314
  713    HB2  GLU  97           HB2      GLU  97  19.769   0.171  -5.504
  714    HB3  GLU  97           HB3      GLU  97  21.350   0.002  -6.271
  715    HG2  GLU  97           HG2      GLU  97  21.098  -2.390  -6.459
  716    HG3  GLU  97           HG3      GLU  97  19.492  -2.323  -5.701
  717    H    ASP  98           H        ASP  98  23.635  -0.130  -4.952
  718    HA   ASP  98           HA       ASP  98  23.549   2.573  -3.775
  719    HB2  ASP  98           HB2      ASP  98  25.141   1.341  -2.430
  720    HB3  ASP  98           HB3      ASP  98  26.031   0.860  -3.888
  721    H    TRP  99           H        TRP  99  23.099   3.798  -5.540
  722    HA   TRP  99           HA       TRP  99  24.119   3.120  -8.198
  723    HB2  TRP  99           HB2      TRP  99  22.494   5.500  -7.274
  724    HB3  TRP  99           HB3      TRP  99  22.869   5.092  -8.924
  725    HD1  TRP  99           HD1      TRP  99  21.994   1.828  -7.518
  726    HE1  TRP  99           HE1      TRP  99  19.546   1.242  -7.924
  727    HE3  TRP  99           HE3      TRP  99  20.293   6.490  -8.721
  728    HZ2  TRP  99           HZ2      TRP  99  17.048   2.697  -8.497
  729    HZ3  TRP  99           HZ3      TRP  99  17.882   6.882  -9.101
  730    HH2  TRP  99           HH2      TRP  99  16.280   5.006  -8.955
  731    H    GLN 100           H        GLN 100  26.318   3.225  -8.081
  732    HA   GLN 100           HA       GLN 100  27.812   5.541  -7.313
  733    HB2  GLN 100           HB2      GLN 100  28.685   3.219  -7.595
  734    HB3  GLN 100           HB3      GLN 100  28.489   3.364  -9.344
  735    HG2  GLN 100           HG2      GLN 100  30.174   5.111  -9.449
  736    HG3  GLN 100           HG3      GLN 100  30.208   5.265  -7.688
  737   HE21  GLN 100          HE22      GLN 100  31.084   3.473  -6.395
  738   HE22  GLN 100          HE21      GLN 100  32.174   2.303  -7.115
  739    H    LEU 101           H        LEU 101  27.874   7.467  -8.266
  740    HA   LEU 101           HA       LEU 101  27.107   7.955 -11.079
  741    HB2  LEU 101           HB2      LEU 101  25.629   8.788  -8.547
  742    HB3  LEU 101           HB3      LEU 101  25.466   9.715 -10.031
  743    HG   LEU 101           HG       LEU 101  24.702   6.763  -9.801
  744   HD11  LEU 101          HD11      LEU 101  23.022   9.254  -9.435
  745   HD12  LEU 101          HD12      LEU 101  22.385   7.596  -9.635
  746   HD13  LEU 101          HD13      LEU 101  23.377   8.001  -8.233
  747   HD21  LEU 101          HD21      LEU 101  25.115   7.449 -12.103
  748   HD22  LEU 101          HD22      LEU 101  23.394   7.186 -11.806
  749   HD23  LEU 101          HD23      LEU 101  24.026   8.841 -11.908
  750    H    GLU 102           H        GLU 102  27.784  10.166 -11.669
  751    HA   GLU 102           HA       GLU 102  30.008  11.075 -10.095
  752    HB2  GLU 102           HB2      GLU 102  28.946  11.904 -12.822
  753    HB3  GLU 102           HB3      GLU 102  30.377  12.620 -12.059
  754    HG2  GLU 102           HG2      GLU 102  31.416  10.356 -11.921
  755    HG3  GLU 102           HG3      GLU 102  30.033   9.681 -12.787
  756    H    ASP 103           H        ASP 103  28.776  11.595  -8.309
  757    HA   ASP 103           HA       ASP 103  26.821  13.090  -7.546
  758    HB2  ASP 103           HB2      ASP 103  28.418  12.323  -5.987
  759    HB3  ASP 103           HB3      ASP 103  29.638  13.469  -6.534
  760    HA   PRO 104           HA       PRO 104  27.337  16.524 -10.353
  761    HB2  PRO 104           HB2      PRO 104  24.570  17.169  -9.424
  762    HB3  PRO 104           HB3      PRO 104  25.288  17.150 -11.083
  763    HG2  PRO 104           HG2      PRO 104  23.787  15.067 -10.180
  764    HG3  PRO 104           HG3      PRO 104  25.236  14.836 -11.215
  765    HD2  PRO 104           HD2      PRO 104  24.953  14.411  -8.251
  766    HD3  PRO 104           HD3      PRO 104  25.928  13.515  -9.466
  767    H    ASP 105           H        ASP 105  27.281  16.881  -7.007
  768    HA   ASP 105           HA       ASP 105  26.997  19.632  -6.525
  769    HB2  ASP 105           HB2      ASP 105  27.245  18.103  -4.715
  770    HB3  ASP 105           HB3      ASP 105  28.796  17.515  -5.319
  771    H    GLY 106           H        GLY 106  27.706  20.867  -8.164
  772    HA2  GLY 106           HA2      GLY 106  29.131  22.654  -8.602
  773    HA3  GLY 106           HA3      GLY 106  30.485  21.780  -7.872
  774    H    GLN 107           H        GLN 107  28.480  20.130 -10.317
  775    HA   GLN 107           HA       GLN 107  30.963  19.917 -11.916
  776    HB2  GLN 107           HB2      GLN 107  28.425  18.309 -12.215
  777    HB3  GLN 107           HB3      GLN 107  30.043  17.917 -12.806
  778    HG2  GLN 107           HG2      GLN 107  29.265  18.051  -9.879
  779    HG3  GLN 107           HG3      GLN 107  29.295  16.597 -10.883
  780   HE21  GLN 107          HE22      GLN 107  30.572  16.044  -8.895
  781   HE22  GLN 107          HE21      GLN 107  32.322  16.193  -9.049
  782    H    SER 108           H        SER 108  30.464  19.332 -14.294
  783    HA   SER 108           HA       SER 108  29.501  21.704 -15.669
  784    HB2  SER 108           HB2      SER 108  30.484  18.968 -16.593
  785    HB3  SER 108           HB3      SER 108  30.304  20.402 -17.634
  786    HG   SER 108           HG       SER 108  32.465  20.117 -16.915
  787    H    LEU 109           H        LEU 109  27.753  21.662 -17.277
  788    HA   LEU 109           HA       LEU 109  25.399  20.373 -16.440
  789    HB2  LEU 109           HB2      LEU 109  26.127  21.468 -19.184
  790    HB3  LEU 109           HB3      LEU 109  24.511  20.916 -18.749
  791    HG   LEU 109           HG       LEU 109  25.976  23.180 -17.334
  792   HD11  LEU 109          HD11      LEU 109  25.450  23.757 -19.675
  793   HD12  LEU 109          HD12      LEU 109  23.756  23.282 -19.426
  794   HD13  LEU 109          HD13      LEU 109  24.435  24.676 -18.555
  795   HD21  LEU 109          HD21      LEU 109  23.721  23.716 -16.415
  796   HD22  LEU 109          HD22      LEU 109  23.072  22.241 -17.162
  797   HD23  LEU 109          HD23      LEU 109  24.292  22.141 -15.873
  798    H    GLU 110           H        GLU 110  27.862  19.227 -18.732
  799    HA   GLU 110           HA       GLU 110  26.256  17.100 -19.732
  800    HB2  GLU 110           HB2      GLU 110  29.256  17.481 -19.679
  801    HB3  GLU 110           HB3      GLU 110  28.430  16.195 -20.576
  802    HG2  GLU 110           HG2      GLU 110  28.020  19.187 -20.982
  803    HG3  GLU 110           HG3      GLU 110  28.965  18.133 -22.028
  804    H    VAL 111           H        VAL 111  28.388  17.355 -16.888
  805    HA   VAL 111           HA       VAL 111  28.306  14.536 -16.165
  806    HB   VAL 111           HB       VAL 111  28.804  17.035 -14.527
  807   HG11  VAL 111          HG11      VAL 111  28.075  15.362 -12.963
  808   HG12  VAL 111          HG12      VAL 111  29.039  14.104 -13.774
  809   HG13  VAL 111          HG13      VAL 111  29.840  15.402 -12.875
  810   HG21  VAL 111          HG21      VAL 111  30.731  14.953 -15.648
  811   HG22  VAL 111          HG22      VAL 111  30.539  16.606 -16.260
  812   HG23  VAL 111          HG23      VAL 111  31.175  16.342 -14.634
  813    H    PHE 112           H        PHE 112  26.399  17.467 -15.313
  814    HA   PHE 112           HA       PHE 112  24.506  16.203 -13.624
  815    HB2  PHE 112           HB2      PHE 112  24.524  18.683 -15.327
  816    HB3  PHE 112           HB3      PHE 112  22.999  18.089 -14.731
  817    HD1  PHE 112           HD1      PHE 112  22.363  18.144 -12.394
  818    HD2  PHE 112           HD2      PHE 112  26.204  19.577 -13.747
  819    HE1  PHE 112           HE1      PHE 112  22.753  19.213 -10.188
  820    HE2  PHE 112           HE2      PHE 112  26.582  20.629 -11.546
  821    HZ   PHE 112           HZ       PHE 112  24.922  20.370  -9.755
  822    H    ARG 113           H        ARG 113  24.254  16.790 -17.199
  823    HA   ARG 113           HA       ARG 113  21.910  15.312 -17.610
  824    HB2  ARG 113           HB2      ARG 113  24.297  15.921 -19.394
  825    HB3  ARG 113           HB3      ARG 113  22.912  15.000 -20.000
  826    HG2  ARG 113           HG2      ARG 113  21.394  16.771 -19.693
  827    HG3  ARG 113           HG3      ARG 113  22.487  17.602 -18.575
  828    HD2  ARG 113           HD2      ARG 113  23.856  18.440 -20.127
  829    HD3  ARG 113           HD3      ARG 113  23.284  17.350 -21.434
  830    HE   ARG 113           HE       ARG 113  21.069  18.863 -20.603
  831   HH11  ARG 113          HH11      ARG 113  24.294  19.491 -22.039
  832   HH12  ARG 113          HH12      ARG 113  23.797  20.965 -22.807
  833   HH21  ARG 113          HH21      ARG 113  20.426  20.780 -21.629
  834   HH22  ARG 113          HH22      ARG 113  21.541  21.715 -22.586
  835    H    THR 114           H        THR 114  25.312  14.014 -17.596
  836    HA   THR 114           HA       THR 114  24.602  11.421 -18.421
  837    HB   THR 114           HB       THR 114  26.861  12.488 -16.658
  838    HG1  THR 114           HG1      THR 114  26.941  13.427 -18.629
  839   HG21  THR 114          HG21      THR 114  26.709  10.092 -16.391
  840   HG22  THR 114          HG22      THR 114  26.597   9.864 -18.156
  841   HG23  THR 114          HG23      THR 114  28.099  10.487 -17.418
  842    H    VAL 115           H        VAL 115  24.991  12.811 -15.091
  843    HA   VAL 115           HA       VAL 115  24.165  10.432 -13.782
  844    HB   VAL 115           HB       VAL 115  24.280  13.308 -12.942
  845   HG11  VAL 115          HG11      VAL 115  24.087  12.493 -10.564
  846   HG12  VAL 115          HG12      VAL 115  22.590  12.337 -11.480
  847   HG13  VAL 115          HG13      VAL 115  23.605  10.913 -11.186
  848   HG21  VAL 115          HG21      VAL 115  26.450  12.240 -13.355
  849   HG22  VAL 115          HG22      VAL 115  26.226  12.475 -11.623
  850   HG23  VAL 115          HG23      VAL 115  25.988  10.863 -12.330
  851    H    ARG 116           H        ARG 116  22.256  13.337 -14.812
  852    HA   ARG 116           HA       ARG 116  19.826  12.528 -13.671
  853    HB2  ARG 116           HB2      ARG 116  20.281  14.764 -14.812
  854    HB3  ARG 116           HB3      ARG 116  20.169  13.928 -16.366
  855    HG2  ARG 116           HG2      ARG 116  17.836  13.059 -15.205
  856    HG3  ARG 116           HG3      ARG 116  18.087  14.526 -14.289
  857    HD2  ARG 116           HD2      ARG 116  16.506  14.533 -16.257
  858    HD3  ARG 116           HD3      ARG 116  17.644  15.869 -16.185
  859    HE   ARG 116           HE       ARG 116  17.999  13.446 -17.931
  860   HH11  ARG 116          HH11      ARG 116  17.929  16.966 -17.645
  861   HH12  ARG 116          HH12      ARG 116  18.864  17.277 -19.070
  862   HH21  ARG 116          HH21      ARG 116  19.100  13.830 -19.945
  863   HH22  ARG 116          HH22      ARG 116  19.361  15.446 -20.483
  864    H    GLY 117           H        GLY 117  21.213  11.720 -16.897
  865    HA2  GLY 117           HA2      GLY 117  19.007  10.201 -17.795
  866    HA3  GLY 117           HA3      GLY 117  20.692  10.029 -18.366
  867    H    GLN 118           H        GLN 118  22.010   9.119 -16.038
  868    HA   GLN 118           HA       GLN 118  21.268   6.379 -15.987
  869    HB2  GLN 118           HB2      GLN 118  23.040   8.043 -14.153
  870    HB3  GLN 118           HB3      GLN 118  22.754   6.316 -13.947
  871    HG2  GLN 118           HG2      GLN 118  23.576   6.099 -16.424
  872    HG3  GLN 118           HG3      GLN 118  24.224   7.726 -16.172
  873   HE21  GLN 118          HE22      GLN 118  26.452   7.467 -15.818
  874   HE22  GLN 118          HE21      GLN 118  27.144   6.289 -14.732
  875    H    VAL 119           H        VAL 119  20.984   8.849 -13.428
  876    HA   VAL 119           HA       VAL 119  19.516   7.521 -11.523
  877    HB   VAL 119           HB       VAL 119  19.363  10.445 -12.409
  878   HG11  VAL 119          HG11      VAL 119  17.297   9.986 -11.226
  879   HG12  VAL 119          HG12      VAL 119  18.182   9.164  -9.930
  880   HG13  VAL 119          HG13      VAL 119  18.389  10.917 -10.193
  881   HG21  VAL 119          HG21      VAL 119  20.805  10.839 -10.491
  882   HG22  VAL 119          HG22      VAL 119  20.615   9.169  -9.928
  883   HG23  VAL 119          HG23      VAL 119  21.548   9.509 -11.392
  884    H    LYS 120           H        LYS 120  18.057   9.255 -14.403
  885    HA   LYS 120           HA       LYS 120  15.420   8.645 -13.547
  886    HB2  LYS 120           HB2      LYS 120  15.887  10.445 -15.121
  887    HB3  LYS 120           HB3      LYS 120  16.619   9.317 -16.276
  888    HG2  LYS 120           HG2      LYS 120  14.463   8.228 -16.648
  889    HG3  LYS 120           HG3      LYS 120  13.691   9.284 -15.443
  890    HD2  LYS 120           HD2      LYS 120  14.153  11.261 -16.808
  891    HD3  LYS 120           HD3      LYS 120  15.061  10.302 -17.984
  892    HE2  LYS 120           HE2      LYS 120  12.128   9.852 -17.291
  893    HE3  LYS 120           HE3      LYS 120  12.682  10.861 -18.638
  894    HZ1  LYS 120           HZ1      LYS 120  13.765   8.848 -19.550
  895    HZ2  LYS 120           HZ2      LYS 120  13.083   7.926 -18.363
  896    HZ3  LYS 120           HZ3      LYS 120  12.148   8.701 -19.447
  897    H    GLU 121           H        GLU 121  17.565   6.992 -15.853
  898    HA   GLU 121           HA       GLU 121  15.840   4.878 -16.578
  899    HB2  GLU 121           HB2      GLU 121  17.674   4.823 -17.929
  900    HB3  GLU 121           HB3      GLU 121  18.675   5.629 -16.717
  901    HG2  GLU 121           HG2      GLU 121  19.344   3.732 -15.656
  902    HG3  GLU 121           HG3      GLU 121  18.192   2.687 -16.526
  903    H    ARG 122           H        ARG 122  18.024   5.288 -13.802
  904    HA   ARG 122           HA       ARG 122  17.730   2.569 -12.862
  905    HB2  ARG 122           HB2      ARG 122  18.821   5.087 -11.574
  906    HB3  ARG 122           HB3      ARG 122  18.835   3.486 -10.827
  907    HG2  ARG 122           HG2      ARG 122  20.367   2.569 -12.315
  908    HG3  ARG 122           HG3      ARG 122  20.180   3.866 -13.495
  909    HD2  ARG 122           HD2      ARG 122  21.145   5.492 -11.914
  910    HD3  ARG 122           HD3      ARG 122  21.316   4.239 -10.693
  911    HE   ARG 122           HE       ARG 122  22.989   4.676 -13.070
  912   HH11  ARG 122          HH11      ARG 122  22.210   2.370 -10.476
  913   HH12  ARG 122          HH12      ARG 122  23.739   1.573 -10.566
  914   HH21  ARG 122          HH21      ARG 122  25.001   3.762 -13.088
  915   HH22  ARG 122          HH22      ARG 122  25.395   2.397 -12.088
  916    H    VAL 123           H        VAL 123  16.203   5.720 -11.682
  917    HA   VAL 123           HA       VAL 123  14.402   4.631  -9.913
  918    HB   VAL 123           HB       VAL 123  14.064   6.898 -11.914
  919   HG11  VAL 123          HG11      VAL 123  11.837   6.204 -11.194
  920   HG12  VAL 123          HG12      VAL 123  12.348   6.185  -9.493
  921   HG13  VAL 123          HG13      VAL 123  12.287   7.713 -10.409
  922   HG21  VAL 123          HG21      VAL 123  14.669   6.984  -8.928
  923   HG22  VAL 123          HG22      VAL 123  15.881   7.204 -10.187
  924   HG23  VAL 123          HG23      VAL 123  14.564   8.358 -10.042
  925    H    GLU 124           H        GLU 124  14.048   4.846 -13.553
  926    HA   GLU 124           HA       GLU 124  11.506   3.632 -13.597
  927    HB2  GLU 124           HB2      GLU 124  13.716   3.700 -15.703
  928    HB3  GLU 124           HB3      GLU 124  12.146   2.954 -15.988
  929    HG2  GLU 124           HG2      GLU 124  11.024   5.116 -15.517
  930    HG3  GLU 124           HG3      GLU 124  12.605   5.869 -15.289
  931    H    ASN 125           H        ASN 125  14.732   2.165 -13.606
  932    HA   ASN 125           HA       ASN 125  13.857  -0.525 -13.987
  933    HB2  ASN 125           HB2      ASN 125  16.395   0.727 -12.954
  934    HB3  ASN 125           HB3      ASN 125  16.092  -0.964 -12.587
  935   HD21  ASN 125          HD22      ASN 125  16.321   1.333 -15.321
  936   HD22  ASN 125          HD21      ASN 125  16.796   0.119 -16.498
  937    H    LEU 126           H        LEU 126  14.485   1.392 -11.030
  938    HA   LEU 126           HA       LEU 126  13.894  -0.748  -9.280
  939    HB2  LEU 126           HB2      LEU 126  14.448   0.550  -7.595
  940    HB3  LEU 126           HB3      LEU 126  14.994   1.648  -8.848
  941    HG   LEU 126           HG       LEU 126  12.549   2.594  -8.714
  942   HD11  LEU 126          HD11      LEU 126  11.899   0.697  -7.024
  943   HD12  LEU 126          HD12      LEU 126  12.791   1.627  -5.843
  944   HD13  LEU 126          HD13      LEU 126  11.389   2.356  -6.653
  945   HD21  LEU 126          HD21      LEU 126  14.332   3.185  -6.345
  946   HD22  LEU 126          HD22      LEU 126  14.673   3.769  -7.975
  947   HD23  LEU 126          HD23      LEU 126  13.178   4.257  -7.157
  948    H    ILE 127           H        ILE 127  11.739   1.750 -10.596
  949    HA   ILE 127           HA       ILE 127   9.316   0.816  -9.419
  950    HB   ILE 127           HB       ILE 127  10.033   2.293 -11.976
  951   HG12  ILE 127          HG12      ILE 127   8.628   3.352  -9.475
  952   HG13  ILE 127          HG13      ILE 127  10.381   3.371  -9.639
  953   HG21  ILE 127          HG21      ILE 127   7.971   1.298 -12.513
  954   HG22  ILE 127          HG22      ILE 127   7.282   1.590 -10.902
  955   HG23  ILE 127          HG23      ILE 127   7.556   2.934 -12.047
  956   HD11  ILE 127          HD11      ILE 127   8.434   4.836 -11.463
  957   HD12  ILE 127          HD12      ILE 127   9.545   5.536 -10.278
  958   HD13  ILE 127          HD13      ILE 127  10.178   4.722 -11.726
  959    H    ALA 128           H        ALA 128  11.085  -0.318 -12.370
  960    HA   ALA 128           HA       ALA 128   8.908  -1.818 -13.387
  961    HB1  ALA 128           HB1      ALA 128  11.882  -2.381 -13.758
  962    HB2  ALA 128           HB2      ALA 128  10.558  -2.974 -14.774
  963    HB3  ALA 128           HB3      ALA 128  10.915  -1.238 -14.722
  964    H    LYS 129           H        LYS 129  11.329  -2.597 -10.961
  965    HA   LYS 129           HA       LYS 129  10.887  -5.376 -10.659
  966    HB2  LYS 129           HB2      LYS 129  11.732  -3.271  -8.678
  967    HB3  LYS 129           HB3      LYS 129  11.900  -5.007  -8.415
  968    HG2  LYS 129           HG2      LYS 129  13.500  -5.186 -10.264
  969    HG3  LYS 129           HG3      LYS 129  13.258  -3.492 -10.681
  970    HD2  LYS 129           HD2      LYS 129  13.956  -2.994  -8.206
  971    HD3  LYS 129           HD3      LYS 129  14.564  -4.658  -8.234
  972    HE2  LYS 129           HE2      LYS 129  15.926  -3.988 -10.307
  973    HE3  LYS 129           HE3      LYS 129  15.402  -2.320 -10.033
  974    HZ1  LYS 129           HZ1      LYS 129  17.597  -2.807  -9.003
  975    HZ2  LYS 129           HZ2      LYS 129  16.497  -2.388  -7.877
  976    HZ3  LYS 129           HZ3      LYS 129  16.925  -3.958  -8.080
  977    H    ILE 130           H        ILE 130   8.911  -2.634  -9.573
  978    HA   ILE 130           HA       ILE 130   7.421  -4.330  -7.725
  979    HB   ILE 130           HB       ILE 130   7.133  -2.084  -6.564
  980   HG12  ILE 130          HG12      ILE 130   9.193  -1.186  -8.485
  981   HG13  ILE 130          HG13      ILE 130   7.644  -0.455  -8.101
  982   HG21  ILE 130          HG21      ILE 130   9.998  -3.127  -6.810
  983   HG22  ILE 130          HG22      ILE 130   9.263  -2.437  -5.352
  984   HG23  ILE 130          HG23      ILE 130   8.734  -4.017  -5.935
  985   HD11  ILE 130          HD11      ILE 130   9.493   0.843  -7.180
  986   HD12  ILE 130          HD12      ILE 130   8.586   0.094  -5.826
  987   HD13  ILE 130          HD13      ILE 130  10.145  -0.567  -6.359
  988    H    SER 131           H        SER 131   7.078  -2.127 -10.312
  989    HA   SER 131           HA       SER 131   4.562  -1.134 -10.306
  990    HB2  SER 131           HB2      SER 131   5.928  -2.564 -12.616
  991    HB3  SER 131           HB3      SER 131   4.485  -1.546 -12.773
  992    HG   SER 131           HG       SER 131   7.024  -0.746 -11.749
  Start of MODEL    9
    1    H    MET   1           H        MET   1   0.663  -0.428  -3.347
    2    HA   MET   1           HA       MET   1   2.773   0.523  -3.991
    3    HB2  MET   1           HB2      MET   1   1.100   2.062  -3.225
    4    HB3  MET   1           HB3      MET   1   1.453   1.734  -1.525
    5    HG2  MET   1           HG2      MET   1   3.538   2.871  -1.618
    6    HG3  MET   1           HG3      MET   1   3.527   2.944  -3.370
    7    HE1  MET   1           HE1      MET   1   0.788   4.051  -4.361
    8    HE2  MET   1           HE2      MET   1   1.101   5.795  -4.275
    9    HE3  MET   1           HE3      MET   1   2.373   4.697  -4.844
   10    H    LYS   2           H        LYS   2   4.915   1.007  -3.543
   11    HA   LYS   2           HA       LYS   2   6.071  -0.059  -0.972
   12    HB2  LYS   2           HB2      LYS   2   7.173  -0.049  -3.809
   13    HB3  LYS   2           HB3      LYS   2   8.244   0.068  -2.428
   14    HG2  LYS   2           HG2      LYS   2   8.201  -2.201  -3.042
   15    HG3  LYS   2           HG3      LYS   2   7.327  -2.061  -1.516
   16    HD2  LYS   2           HD2      LYS   2   5.185  -2.322  -2.644
   17    HD3  LYS   2           HD3      LYS   2   5.953  -2.180  -4.230
   18    HE2  LYS   2           HE2      LYS   2   5.432  -4.502  -3.804
   19    HE3  LYS   2           HE3      LYS   2   7.184  -4.292  -3.848
   20    HZ1  LYS   2           HZ1      LYS   2   7.257  -4.449  -1.460
   21    HZ2  LYS   2           HZ2      LYS   2   5.608  -4.462  -1.342
   22    HZ3  LYS   2           HZ3      LYS   2   6.400  -5.711  -2.023
   23    H    LYS   3           H        LYS   3   7.135   1.438   0.261
   24    HA   LYS   3           HA       LYS   3   7.287   4.211  -0.806
   25    HB2  LYS   3           HB2      LYS   3   7.479   2.943   1.926
   26    HB3  LYS   3           HB3      LYS   3   8.467   4.370   1.651
   27    HG2  LYS   3           HG2      LYS   3   6.614   5.668   0.788
   28    HG3  LYS   3           HG3      LYS   3   5.501   4.291   0.951
   29    HD2  LYS   3           HD2      LYS   3   5.612   4.392   3.345
   30    HD3  LYS   3           HD3      LYS   3   6.981   5.539   3.290
   31    HE2  LYS   3           HE2      LYS   3   5.573   7.235   2.260
   32    HE3  LYS   3           HE3      LYS   3   4.192   6.123   2.213
   33    HZ1  LYS   3           HZ1      LYS   3   5.542   6.934   4.720
   34    HZ2  LYS   3           HZ2      LYS   3   4.193   7.694   4.136
   35    HZ3  LYS   3           HZ3      LYS   3   4.139   6.122   4.593
   36    H    VAL   4           H        VAL   4   9.183   5.114  -1.580
   37    HA   VAL   4           HA       VAL   4  11.593   3.381  -1.399
   38    HB   VAL   4           HB       VAL   4  10.534   3.452  -3.561
   39   HG11  VAL   4          HG11      VAL   4  11.078   6.427  -3.603
   40   HG12  VAL   4          HG12      VAL   4  10.675   5.453  -5.016
   41   HG13  VAL   4          HG13      VAL   4   9.491   5.622  -3.708
   42   HG21  VAL   4          HG21      VAL   4  12.522   3.866  -4.871
   43   HG22  VAL   4          HG22      VAL   4  13.155   5.026  -3.693
   44   HG23  VAL   4          HG23      VAL   4  13.079   3.310  -3.288
   45    H    MET   5           H        MET   5  13.457   4.258  -0.959
   46    HA   MET   5           HA       MET   5  13.573   7.129  -0.121
   47    HB2  MET   5           HB2      MET   5  13.471   5.719   1.802
   48    HB3  MET   5           HB3      MET   5  14.619   4.580   1.110
   49    HG2  MET   5           HG2      MET   5  15.678   5.937   2.822
   50    HG3  MET   5           HG3      MET   5  16.402   6.116   1.249
   51    HE1  MET   5           HE1      MET   5  13.078   7.843   2.574
   52    HE2  MET   5           HE2      MET   5  14.138   8.010   3.994
   53    HE3  MET   5           HE3      MET   5  13.673   9.440   3.063
   54    H    PHE   6           H        PHE   6  15.401   8.288  -0.786
   55    HA   PHE   6           HA       PHE   6  17.525   6.838  -2.269
   56    HB2  PHE   6           HB2      PHE   6  16.509   9.591  -2.879
   57    HB3  PHE   6           HB3      PHE   6  17.903   8.783  -3.611
   58    HD1  PHE   6           HD1      PHE   6  17.627   6.953  -5.220
   59    HD2  PHE   6           HD2      PHE   6  14.206   8.868  -3.387
   60    HE1  PHE   6           HE1      PHE   6  16.134   5.903  -6.938
   61    HE2  PHE   6           HE2      PHE   6  12.741   7.672  -5.058
   62    HZ   PHE   6           HZ       PHE   6  13.696   6.291  -6.819
   63    H    VAL   7           H        VAL   7  19.549   7.086  -1.056
   64    HA   VAL   7           HA       VAL   7  19.681   9.340   0.920
   65    HB   VAL   7           HB       VAL   7  20.873   6.565   1.293
   66   HG11  VAL   7          HG11      VAL   7  21.118   7.203   3.609
   67   HG12  VAL   7          HG12      VAL   7  21.891   8.425   2.617
   68   HG13  VAL   7          HG13      VAL   7  20.293   8.759   3.326
   69   HG21  VAL   7          HG21      VAL   7  19.057   6.110   2.921
   70   HG22  VAL   7          HG22      VAL   7  18.196   7.538   2.302
   71   HG23  VAL   7          HG23      VAL   7  18.547   6.140   1.236
   72    H    CYS   8           H        CYS   8  21.412  10.719   0.458
   73    HA   CYS   8           HA       CYS   8  23.787   9.488  -0.910
   74    HB2  CYS   8           HB2      CYS   8  22.439  11.050  -2.324
   75    HB3  CYS   8           HB3      CYS   8  22.665  12.311  -1.117
   76    HG   CYS   8           HG       CYS   8  24.251  13.180  -2.660
   77    H    LYS   9           H        LYS   9  25.826  10.536  -0.598
   78    HA   LYS   9           HA       LYS   9  26.492  11.014   2.171
   79    HB2  LYS   9           HB2      LYS   9  27.888  10.755  -0.432
   80    HB3  LYS   9           HB3      LYS   9  28.603  12.009   0.596
   81    HG2  LYS   9           HG2      LYS   9  28.861  10.436   2.433
   82    HG3  LYS   9           HG3      LYS   9  28.004   9.172   1.530
   83    HD2  LYS   9           HD2      LYS   9  29.790   9.181  -0.187
   84    HD3  LYS   9           HD3      LYS   9  30.669  10.423   0.706
   85    HE2  LYS   9           HE2      LYS   9  29.956   7.657   1.810
   86    HE3  LYS   9           HE3      LYS   9  31.489   8.049   1.025
   87    HZ1  LYS   9           HZ1      LYS   9  30.517   9.306   3.528
   88    HZ2  LYS   9           HZ2      LYS   9  31.704   8.198   3.408
   89    HZ3  LYS   9           HZ3      LYS   9  31.917   9.676   2.768
   90    H    ARG  10           H        ARG  10  25.080  13.044  -0.241
   91    HA   ARG  10           HA       ARG  10  24.776  15.149   1.637
   92    HB2  ARG  10           HB2      ARG  10  25.513  16.972   0.197
   93    HB3  ARG  10           HB3      ARG  10  26.857  15.992   0.760
   94    HG2  ARG  10           HG2      ARG  10  26.978  14.906  -1.524
   95    HG3  ARG  10           HG3      ARG  10  25.721  16.011  -2.089
   96    HD2  ARG  10           HD2      ARG  10  28.407  16.845  -0.922
   97    HD3  ARG  10           HD3      ARG  10  27.990  16.801  -2.629
   98    HE   ARG  10           HE       ARG  10  26.490  18.625  -2.381
   99   HH11  ARG  10          HH21      ARG  10  28.311  18.083   0.639
  100   HH12  ARG  10          HH22      ARG  10  28.109  19.710   1.170
  101   HH21  ARG  10          HH11      ARG  10  26.318  20.655  -1.770
  102   HH22  ARG  10          HH12      ARG  10  26.862  21.242  -0.210
  103    H    ASN  11           H        ASN  11  22.650  15.084   1.462
  104    HA   ASN  11           HA       ASN  11  21.031  13.903  -0.388
  105    HB2  ASN  11           HB2      ASN  11  20.187  14.734   1.729
  106    HB3  ASN  11           HB3      ASN  11  20.335  16.405   1.165
  107   HD21  ASN  11          HD22      ASN  11  18.839  13.288  -0.082
  108   HD22  ASN  11          HD21      ASN  11  17.375  14.091  -0.640
  109    H    SER  12           H        SER  12  22.449  17.116  -0.743
  110    HA   SER  12           HA       SER  12  21.092  18.693  -2.195
  111    HB2  SER  12           HB2      SER  12  23.986  17.943  -2.766
  112    HB3  SER  12           HB3      SER  12  23.229  19.505  -3.143
  113    HG   SER  12           HG       SER  12  22.930  19.906  -1.062
  114    H    CYS  13           H        CYS  13  22.411  15.803  -3.945
  115    HA   CYS  13           HA       CYS  13  21.179  16.952  -6.412
  116    HB2  CYS  13           HB2      CYS  13  23.261  16.357  -7.681
  117    HB3  CYS  13           HB3      CYS  13  23.393  17.745  -6.600
  118    HG   CYS  13           HG       CYS  13  24.593  16.571  -4.643
  119    H    ARG  14           H        ARG  14  23.172  14.023  -5.661
  120    HA   ARG  14           HA       ARG  14  22.092  12.538  -7.716
  121    HB2  ARG  14           HB2      ARG  14  23.204  11.502  -5.082
  122    HB3  ARG  14           HB3      ARG  14  22.767  10.451  -6.443
  123    HG2  ARG  14           HG2      ARG  14  24.283  11.638  -7.931
  124    HG3  ARG  14           HG3      ARG  14  24.736  12.766  -6.647
  125    HD2  ARG  14           HD2      ARG  14  25.108   9.792  -6.239
  126    HD3  ARG  14           HD3      ARG  14  26.257  10.714  -7.235
  127    HE   ARG  14           HE       ARG  14  25.941  12.115  -4.808
  128   HH11  ARG  14          HH11      ARG  14  27.660   9.271  -6.113
  129   HH12  ARG  14          HH12      ARG  14  28.533   9.032  -4.623
  130   HH21  ARG  14          HH21      ARG  14  27.386  12.004  -3.180
  131   HH22  ARG  14          HH22      ARG  14  28.397  10.577  -2.924
  132    H    SER  15           H        SER  15  21.079  12.491  -4.300
  133    HA   SER  15           HA       SER  15  18.845  10.772  -4.465
  134    HB2  SER  15           HB2      SER  15  18.483  12.441  -2.263
  135    HB3  SER  15           HB3      SER  15  19.416  10.945  -2.277
  136    HG   SER  15           HG       SER  15  20.307  13.636  -2.477
  137    H    GLN  16           H        GLN  16  19.055  14.374  -4.408
  138    HA   GLN  16           HA       GLN  16  16.276  14.866  -4.286
  139    HB2  GLN  16           HB2      GLN  16  18.723  16.425  -5.164
  140    HB3  GLN  16           HB3      GLN  16  17.139  17.129  -5.404
  141    HG2  GLN  16           HG2      GLN  16  17.990  16.030  -2.701
  142    HG3  GLN  16           HG3      GLN  16  18.404  17.667  -3.194
  143   HE21  GLN  16          HE22      GLN  16  16.688  16.758  -0.955
  144   HE22  GLN  16          HE21      GLN  16  15.141  17.553  -1.195
  145    H    MET  17           H        MET  17  18.442  14.519  -7.146
  146    HA   MET  17           HA       MET  17  16.356  15.043  -9.068
  147    HB2  MET  17           HB2      MET  17  19.056  13.650  -9.225
  148    HB3  MET  17           HB3      MET  17  17.962  13.793 -10.603
  149    HG2  MET  17           HG2      MET  17  17.888  16.289 -10.180
  150    HG3  MET  17           HG3      MET  17  19.261  16.074  -9.092
  151    HE1  MET  17           HE1      MET  17  21.104  13.968 -10.513
  152    HE2  MET  17           HE2      MET  17  22.097  14.998 -11.567
  153    HE3  MET  17           HE3      MET  17  21.704  15.536  -9.916
  154    H    ALA  18           H        ALA  18  17.730  11.983  -7.713
  155    HA   ALA  18           HA       ALA  18  16.184  10.215  -9.256
  156    HB1  ALA  18           HB1      ALA  18  18.116   9.620  -7.712
  157    HB2  ALA  18           HB2      ALA  18  16.999   9.814  -6.347
  158    HB3  ALA  18           HB3      ALA  18  16.693   8.574  -7.583
  159    H    GLU  19           H        GLU  19  15.379  11.933  -6.258
  160    HA   GLU  19           HA       GLU  19  12.868  10.651  -5.863
  161    HB2  GLU  19           HB2      GLU  19  13.688  11.622  -3.996
  162    HB3  GLU  19           HB3      GLU  19  14.241  13.093  -4.812
  163    HG2  GLU  19           HG2      GLU  19  11.970  13.964  -4.891
  164    HG3  GLU  19           HG3      GLU  19  11.318  12.451  -4.248
  165    H    GLY  20           H        GLY  20  13.576  13.919  -7.261
  166    HA2  GLY  20           HA2      GLY  20  11.002  14.578  -8.106
  167    HA3  GLY  20           HA3      GLY  20  12.489  15.030  -8.957
  168    H    PHE  21           H        PHE  21  13.341  12.408  -9.886
  169    HA   PHE  21           HA       PHE  21  11.473  12.028 -12.065
  170    HB2  PHE  21           HB2      PHE  21  13.766  10.232 -11.203
  171    HB3  PHE  21           HB3      PHE  21  12.850  10.087 -12.697
  172    HD1  PHE  21           HD2      PHE  21  12.677  12.549 -14.037
  173    HD2  PHE  21           HD1      PHE  21  15.885  11.137 -11.534
  174    HE1  PHE  21           HE2      PHE  21  14.145  14.381 -14.860
  175    HE2  PHE  21           HE1      PHE  21  17.377  12.880 -12.471
  176    HZ   PHE  21           HZ       PHE  21  16.449  14.566 -14.059
  177    H    ALA  22           H        ALA  22  12.134  10.115  -9.061
  178    HA   ALA  22           HA       ALA  22  10.410   7.983  -9.667
  179    HB1  ALA  22           HB1      ALA  22  11.171   9.149  -6.976
  180    HB2  ALA  22           HB2      ALA  22  10.497   7.529  -7.235
  181    HB3  ALA  22           HB3      ALA  22  12.100   7.943  -7.880
  182    H    LYS  23           H        LYS  23   9.544  11.051  -7.877
  183    HA   LYS  23           HA       LYS  23   6.833  10.182  -7.596
  184    HB2  LYS  23           HB2      LYS  23   6.415  12.678  -7.126
  185    HB3  LYS  23           HB3      LYS  23   7.346  11.725  -6.001
  186    HG2  LYS  23           HG2      LYS  23   9.311  12.758  -6.404
  187    HG3  LYS  23           HG3      LYS  23   8.898  13.216  -8.075
  188    HD2  LYS  23           HD2      LYS  23   7.482  14.404  -5.659
  189    HD3  LYS  23           HD3      LYS  23   9.044  15.046  -6.217
  190    HE2  LYS  23           HE2      LYS  23   8.181  15.397  -8.472
  191    HE3  LYS  23           HE3      LYS  23   6.605  14.712  -8.024
  192    HZ1  LYS  23           HZ1      LYS  23   6.312  16.571  -6.481
  193    HZ2  LYS  23           HZ2      LYS  23   7.761  17.206  -6.895
  194    HZ3  LYS  23           HZ3      LYS  23   6.555  17.132  -7.989
  195    H    THR  24           H        THR  24   8.492  11.372 -10.422
  196    HA   THR  24           HA       THR  24   5.944  12.071 -11.644
  197    HB   THR  24           HB       THR  24   8.770  11.841 -12.807
  198    HG1  THR  24           HG1      THR  24   8.910  13.434 -11.310
  199   HG21  THR  24          HG21      THR  24   7.038  11.843 -14.507
  200   HG22  THR  24          HG22      THR  24   6.261  13.263 -13.765
  201   HG23  THR  24          HG23      THR  24   7.876  13.405 -14.509
  202    H    LEU  25           H        LEU  25   8.465   9.580 -11.897
  203    HA   LEU  25           HA       LEU  25   7.285   8.190 -14.093
  204    HB2  LEU  25           HB2      LEU  25   9.472   7.461 -12.099
  205    HB3  LEU  25           HB3      LEU  25   9.097   6.517 -13.536
  206    HG   LEU  25           HG       LEU  25  10.086   9.410 -13.596
  207   HD11  LEU  25          HD11      LEU  25  11.786   8.033 -12.678
  208   HD12  LEU  25          HD12      LEU  25  11.500   6.726 -13.833
  209   HD13  LEU  25          HD13      LEU  25  12.216   8.266 -14.377
  210   HD21  LEU  25          HD21      LEU  25   9.751   7.320 -15.803
  211   HD22  LEU  25          HD22      LEU  25   8.796   8.809 -15.614
  212   HD23  LEU  25          HD23      LEU  25  10.517   8.914 -15.991
  213    H    GLY  26           H        GLY  26   7.493   7.586 -10.606
  214    HA2  GLY  26           HA2      GLY  26   5.918   5.086 -10.948
  215    HA3  GLY  26           HA3      GLY  26   7.137   5.396  -9.719
  216    H    ALA  27           H        ALA  27   5.515   8.253  -9.595
  217    HA   ALA  27           HA       ALA  27   3.875   7.664  -7.383
  218    HB1  ALA  27           HB1      ALA  27   4.421   9.953  -7.874
  219    HB2  ALA  27           HB2      ALA  27   3.677   9.869  -9.489
  220    HB3  ALA  27           HB3      ALA  27   2.666   9.805  -8.025
  221    H    GLY  28           H        GLY  28   2.331   6.203  -7.286
  222    HA2  GLY  28           HA2      GLY  28  -0.049   5.740  -8.256
  223    HA3  GLY  28           HA3      GLY  28   0.861   5.383  -9.735
  224    H    LYS  29           H        LYS  29   3.197   4.268  -8.234
  225    HA   LYS  29           HA       LYS  29   2.035   1.877  -6.886
  226    HB2  LYS  29           HB2      LYS  29   3.652   0.418  -7.875
  227    HB3  LYS  29           HB3      LYS  29   2.672   1.149  -9.140
  228    HG2  LYS  29           HG2      LYS  29   5.367   2.355  -8.426
  229    HG3  LYS  29           HG3      LYS  29   5.325   0.871  -9.352
  230    HD2  LYS  29           HD2      LYS  29   3.881   3.417 -10.170
  231    HD3  LYS  29           HD3      LYS  29   5.528   2.996 -10.654
  232    HE2  LYS  29           HE2      LYS  29   4.743   0.882 -11.662
  233    HE3  LYS  29           HE3      LYS  29   3.074   1.286 -11.247
  234    HZ1  LYS  29           HZ1      LYS  29   3.249   3.219 -12.721
  235    HZ2  LYS  29           HZ2      LYS  29   4.792   2.827 -13.113
  236    HZ3  LYS  29           HZ3      LYS  29   3.566   1.846 -13.535
  237    H    ILE  30           H        ILE  30   4.511   4.348  -7.075
  238    HA   ILE  30           HA       ILE  30   5.399   3.427  -4.394
  239    HB   ILE  30           HB       ILE  30   7.599   4.457  -4.890
  240   HG12  ILE  30          HG12      ILE  30   6.943   4.252  -7.837
  241   HG13  ILE  30          HG13      ILE  30   6.691   5.766  -6.956
  242   HG21  ILE  30          HG21      ILE  30   7.215   2.015  -4.968
  243   HG22  ILE  30          HG22      ILE  30   6.888   2.111  -6.706
  244   HG23  ILE  30          HG23      ILE  30   8.493   2.544  -6.063
  245   HD11  ILE  30          HD11      ILE  30   9.383   4.361  -7.176
  246   HD12  ILE  30          HD12      ILE  30   8.846   5.763  -8.110
  247   HD13  ILE  30          HD13      ILE  30   9.000   5.921  -6.356
  248    H    ALA  31           H        ALA  31   6.037   4.966  -2.917
  249    HA   ALA  31           HA       ALA  31   5.415   7.833  -3.475
  250    HB1  ALA  31           HB1      ALA  31   4.938   7.930  -0.996
  251    HB2  ALA  31           HB2      ALA  31   3.767   6.945  -1.893
  252    HB3  ALA  31           HB3      ALA  31   5.047   6.157  -0.939
  253    H    VAL  32           H        VAL  32   7.245   9.096  -3.138
  254    HA   VAL  32           HA       VAL  32   9.673   7.685  -2.235
  255    HB   VAL  32           HB       VAL  32   9.581   8.134  -4.548
  256   HG11  VAL  32          HG11      VAL  32   8.834  10.999  -3.975
  257   HG12  VAL  32          HG12      VAL  32   9.438  10.408  -5.533
  258   HG13  VAL  32          HG13      VAL  32   7.928   9.767  -4.904
  259   HG21  VAL  32          HG21      VAL  32  11.547   9.449  -4.894
  260   HG22  VAL  32          HG22      VAL  32  11.318  10.361  -3.409
  261   HG23  VAL  32          HG23      VAL  32  11.750   8.644  -3.327
  262    H    THR  33           H        THR  33  11.293   8.698  -1.050
  263    HA   THR  33           HA       THR  33  11.044  11.521  -0.418
  264    HB   THR  33           HB       THR  33  11.650   9.451   1.724
  265    HG1  THR  33           HG1      THR  33   9.215  10.545   0.953
  266   HG21  THR  33          HG21      THR  33  12.620  11.637   2.204
  267   HG22  THR  33          HG22      THR  33  11.060  12.435   1.906
  268   HG23  THR  33          HG23      THR  33  11.267  11.339   3.291
  269    H    SER  34           H        SER  34  13.229  12.412  -0.450
  270    HA   SER  34           HA       SER  34  15.429  10.420  -0.503
  271    HB2  SER  34           HB2      SER  34  16.697  11.794  -1.802
  272    HB3  SER  34           HB3      SER  34  15.133  11.832  -2.570
  273    HG   SER  34           HG       SER  34  14.834  13.896  -1.975
  274    H    CYS  35           H        CYS  35  17.441  11.069   0.565
  275    HA   CYS  35           HA       CYS  35  17.247  12.984   2.753
  276    HB2  CYS  35           HB2      CYS  35  17.196   9.955   3.049
  277    HB3  CYS  35           HB3      CYS  35  17.979  10.938   4.285
  278    HG   CYS  35           HG       CYS  35  15.022  11.735   3.140
  279    H    GLY  36           H        GLY  36  19.508  12.447   4.061
  280    HA2  GLY  36           HA2      GLY  36  21.512  11.224   2.372
  281    HA3  GLY  36           HA3      GLY  36  21.784  12.957   2.671
  282    H    LEU  37           H        LEU  37  23.531  10.955   3.534
  283    HA   LEU  37           HA       LEU  37  23.264  10.120   6.215
  284    HB2  LEU  37           HB2      LEU  37  25.802  11.183   4.905
  285    HB3  LEU  37           HB3      LEU  37  25.716  10.181   6.350
  286    HG   LEU  37           HG       LEU  37  25.007   9.354   3.508
  287   HD11  LEU  37          HD11      LEU  37  27.160   8.357   5.423
  288   HD12  LEU  37          HD12      LEU  37  26.908   7.843   3.739
  289   HD13  LEU  37          HD13      LEU  37  27.425   9.501   4.095
  290   HD21  LEU  37          HD21      LEU  37  24.676   7.072   4.423
  291   HD22  LEU  37          HD22      LEU  37  24.758   7.725   6.075
  292   HD23  LEU  37          HD23      LEU  37  23.436   8.197   4.980
  293    H    GLU  38           H        GLU  38  24.014  13.286   4.904
  294    HA   GLU  38           HA       GLU  38  23.217  14.584   7.390
  295    HB2  GLU  38           HB2      GLU  38  25.808  15.249   5.890
  296    HB3  GLU  38           HB3      GLU  38  25.024  16.307   7.068
  297    HG2  GLU  38           HG2      GLU  38  25.291  14.525   8.809
  298    HG3  GLU  38           HG3      GLU  38  26.189  13.550   7.638
  299    H    SER  39           H        SER  39  22.080  16.548   6.790
  300    HA   SER  39           HA       SER  39  21.229  16.693   4.013
  301    HB2  SER  39           HB2      SER  39  20.056  18.805   5.048
  302    HB3  SER  39           HB3      SER  39  19.499  17.183   5.465
  303    HG   SER  39           HG       SER  39  19.778  18.616   7.291
  304    H    SER  40           H        SER  40  21.594  18.367   2.612
  305    HA   SER  40           HA       SER  40  23.154  20.719   3.249
  306    HB2  SER  40           HB2      SER  40  24.064  18.655   1.188
  307    HB3  SER  40           HB3      SER  40  24.624  20.341   1.218
  308    HG   SER  40           HG       SER  40  26.042  18.849   2.280
  309    H    ARG  41           H        ARG  41  22.595  22.347   1.615
  310    HA   ARG  41           HA       ARG  41  19.915  22.170   0.845
  311    HB2  ARG  41           HB2      ARG  41  20.434  24.312  -0.464
  312    HB3  ARG  41           HB3      ARG  41  20.639  24.303   1.277
  313    HG2  ARG  41           HG2      ARG  41  22.367  25.605   0.282
  314    HG3  ARG  41           HG3      ARG  41  23.089  24.176   1.005
  315    HD2  ARG  41           HD2      ARG  41  24.115  24.666  -1.165
  316    HD3  ARG  41           HD3      ARG  41  23.262  23.124  -1.193
  317    HE   ARG  41           HE       ARG  41  21.745  23.917  -2.716
  318   HH11  ARG  41          HH11      ARG  41  23.701  26.693  -1.661
  319   HH12  ARG  41          HH12      ARG  41  23.020  27.765  -2.828
  320   HH21  ARG  41          HH21      ARG  41  20.831  25.274  -4.157
  321   HH22  ARG  41          HH22      ARG  41  21.326  26.935  -4.317
  322    H    VAL  42           H        VAL  42  18.924  22.406  -1.279
  323    HA   VAL  42           HA       VAL  42  19.789  20.279  -3.019
  324    HB   VAL  42           HB       VAL  42  17.714  22.417  -3.653
  325   HG11  VAL  42          HG11      VAL  42  18.464  21.073  -5.603
  326   HG12  VAL  42          HG12      VAL  42  18.150  19.579  -4.717
  327   HG13  VAL  42          HG13      VAL  42  16.803  20.651  -5.158
  328   HG21  VAL  42          HG21      VAL  42  17.415  19.793  -2.136
  329   HG22  VAL  42          HG22      VAL  42  17.025  21.416  -1.558
  330   HG23  VAL  42          HG23      VAL  42  16.051  20.695  -2.844
  331    H    HIS  43           H        HIS  43  21.072  20.400  -4.831
  332    HA   HIS  43           HA       HIS  43  22.593  22.831  -5.196
  333    HB2  HIS  43           HB2      HIS  43  23.346  20.356  -5.359
  334    HB3  HIS  43           HB3      HIS  43  22.598  20.356  -6.956
  335    HD1  HIS  43           HD1      HIS  43  24.145  21.414  -8.848
  336    HD2  HIS  43           HD2      HIS  43  25.327  22.309  -4.917
  337    HE1  HIS  43           HE1      HIS  43  26.369  22.632  -9.030
  338    HA   PRO  44           HA       PRO  44  19.653  24.534  -7.964
  339    HB2  PRO  44           HB2      PRO  44  21.008  26.517  -9.264
  340    HB3  PRO  44           HB3      PRO  44  20.695  26.559  -7.502
  341    HG2  PRO  44           HG2      PRO  44  23.232  25.737  -8.930
  342    HG3  PRO  44           HG3      PRO  44  23.054  26.764  -7.476
  343    HD2  PRO  44           HD2      PRO  44  23.652  24.050  -7.445
  344    HD3  PRO  44           HD3      PRO  44  22.844  24.899  -6.085
  345    H    THR  45           H        THR  45  22.699  23.608  -9.675
  346    HA   THR  45           HA       THR  45  21.491  23.564 -12.198
  347    HB   THR  45           HB       THR  45  23.777  21.862 -11.155
  348    HG1  THR  45           HG1      THR  45  23.906  24.577 -11.918
  349   HG21  THR  45          HG21      THR  45  23.414  23.094 -13.908
  350   HG22  THR  45          HG22      THR  45  24.880  22.253 -13.320
  351   HG23  THR  45          HG23      THR  45  23.366  21.364 -13.485
  352    H    ALA  46           H        ALA  46  21.080  21.340  -9.589
  353    HA   ALA  46           HA       ALA  46  20.353  18.945 -10.967
  354    HB1  ALA  46           HB1      ALA  46  18.951  20.139  -8.531
  355    HB2  ALA  46           HB2      ALA  46  19.180  18.434  -8.931
  356    HB3  ALA  46           HB3      ALA  46  20.596  19.388  -8.416
  357    H    ILE  47           H        ILE  47  18.587  22.039 -10.232
  358    HA   ILE  47           HA       ILE  47  16.095  21.032 -11.010
  359    HB   ILE  47           HB       ILE  47  17.254  23.850 -10.794
  360   HG12  ILE  47          HG12      ILE  47  15.236  23.489  -8.950
  361   HG13  ILE  47          HG13      ILE  47  15.909  21.885  -8.983
  362   HG21  ILE  47          HG21      ILE  47  15.500  24.033 -12.393
  363   HG22  ILE  47          HG22      ILE  47  14.418  23.016 -11.411
  364   HG23  ILE  47          HG23      ILE  47  14.903  24.636 -10.843
  365   HD11  ILE  47          HD11      ILE  47  18.125  22.801  -8.412
  366   HD12  ILE  47          HD12      ILE  47  17.467  24.448  -8.479
  367   HD13  ILE  47          HD13      ILE  47  16.883  23.330  -7.224
  368    H    ALA  48           H        ALA  48  18.774  22.624 -12.799
  369    HA   ALA  48           HA       ALA  48  17.344  23.042 -15.169
  370    HB1  ALA  48           HB1      ALA  48  20.337  22.568 -14.861
  371    HB2  ALA  48           HB2      ALA  48  19.526  23.319 -16.248
  372    HB3  ALA  48           HB3      ALA  48  19.506  24.136 -14.672
  373    H    MET  49           H        MET  49  19.116  20.180 -14.033
  374    HA   MET  49           HA       MET  49  18.957  18.679 -16.482
  375    HB2  MET  49           HB2      MET  49  19.147  17.898 -13.540
  376    HB3  MET  49           HB3      MET  49  19.043  16.681 -14.801
  377    HG2  MET  49           HG2      MET  49  21.167  18.817 -14.581
  378    HG3  MET  49           HG3      MET  49  21.324  17.094 -14.200
  379    HE1  MET  49           HE1      MET  49  22.170  19.027 -18.178
  380    HE2  MET  49           HE2      MET  49  21.676  19.839 -16.667
  381    HE3  MET  49           HE3      MET  49  23.201  18.893 -16.767
  382    H    MET  50           H        MET  50  16.805  18.909 -13.685
  383    HA   MET  50           HA       MET  50  14.929  16.960 -14.682
  384    HB2  MET  50           HB2      MET  50  14.760  19.048 -12.457
  385    HB3  MET  50           HB3      MET  50  13.552  17.799 -12.779
  386    HG2  MET  50           HG2      MET  50  15.838  16.270 -12.798
  387    HG3  MET  50           HG3      MET  50  16.353  17.528 -11.721
  388    HE1  MET  50           HE1      MET  50  12.424  15.379 -11.246
  389    HE2  MET  50           HE2      MET  50  13.385  15.557 -12.730
  390    HE3  MET  50           HE3      MET  50  13.677  14.184 -11.641
  391    H    GLU  51           H        GLU  51  15.223  20.515 -14.883
  392    HA   GLU  51           HA       GLU  51  12.768  20.990 -16.206
  393    HB2  GLU  51           HB2      GLU  51  15.463  22.336 -16.084
  394    HB3  GLU  51           HB3      GLU  51  14.248  22.975 -17.177
  395    HG2  GLU  51           HG2      GLU  51  13.605  22.535 -14.234
  396    HG3  GLU  51           HG3      GLU  51  14.474  23.961 -14.784
  397    H    GLU  52           H        GLU  52  15.842  19.652 -17.428
  398    HA   GLU  52           HA       GLU  52  15.133  19.899 -20.180
  399    HB2  GLU  52           HB2      GLU  52  16.776  17.625 -19.050
  400    HB3  GLU  52           HB3      GLU  52  16.743  18.219 -20.700
  401    HG2  GLU  52           HG2      GLU  52  17.534  20.503 -19.461
  402    HG3  GLU  52           HG3      GLU  52  18.160  19.310 -18.318
  403    H    VAL  53           H        VAL  53  14.414  17.509 -17.649
  404    HA   VAL  53           HA       VAL  53  13.041  15.738 -19.574
  405    HB   VAL  53           HB       VAL  53  13.172  15.646 -16.541
  406   HG11  VAL  53          HG11      VAL  53  11.242  14.331 -17.338
  407   HG12  VAL  53          HG12      VAL  53  12.268  13.519 -18.539
  408   HG13  VAL  53          HG13      VAL  53  12.530  13.254 -16.801
  409   HG21  VAL  53          HG21      VAL  53  14.769  14.240 -18.737
  410   HG22  VAL  53          HG22      VAL  53  15.394  15.374 -17.524
  411   HG23  VAL  53          HG23      VAL  53  14.817  13.774 -17.032
  412    H    GLY  54           H        GLY  54  12.172  18.449 -17.537
  413    HA2  GLY  54           HA2      GLY  54  10.218  19.749 -18.091
  414    HA3  GLY  54           HA3      GLY  54   9.325  18.266 -18.450
  415    H    ILE  55           H        ILE  55  11.484  18.556 -15.656
  416    HA   ILE  55           HA       ILE  55   9.158  18.632 -13.776
  417    HB   ILE  55           HB       ILE  55  11.628  16.888 -13.550
  418   HG12  ILE  55          HG12      ILE  55   8.881  15.670 -13.908
  419   HG13  ILE  55          HG13      ILE  55   9.753  16.181 -15.341
  420   HG21  ILE  55          HG21      ILE  55  10.175  15.707 -11.746
  421   HG22  ILE  55          HG22      ILE  55  10.862  17.258 -11.313
  422   HG23  ILE  55          HG23      ILE  55   9.147  17.138 -11.799
  423   HD11  ILE  55          HD11      ILE  55  10.259  13.873 -14.943
  424   HD12  ILE  55          HD12      ILE  55  11.706  14.879 -14.729
  425   HD13  ILE  55          HD13      ILE  55  10.851  14.228 -13.307
  426    H    ASP  56           H        ASP  56  10.286  19.096 -11.417
  427    HA   ASP  56           HA       ASP  56  12.395  21.169 -11.639
  428    HB2  ASP  56           HB2      ASP  56  10.344  22.458 -11.837
  429    HB3  ASP  56           HB3      ASP  56   9.582  21.525 -10.535
  430    H    ILE  57           H        ILE  57  13.334  21.598  -9.541
  431    HA   ILE  57           HA       ILE  57  12.470  19.859  -7.334
  432    HB   ILE  57           HB       ILE  57  15.356  20.374  -7.431
  433   HG12  ILE  57          HG12      ILE  57  14.243  18.136  -9.136
  434   HG13  ILE  57          HG13      ILE  57  15.061  19.561  -9.769
  435   HG21  ILE  57          HG21      ILE  57  14.228  19.236  -5.566
  436   HG22  ILE  57          HG22      ILE  57  13.630  17.976  -6.682
  437   HG23  ILE  57          HG23      ILE  57  15.357  18.142  -6.314
  438   HD11  ILE  57          HD11      ILE  57  16.982  18.900  -8.087
  439   HD12  ILE  57          HD12      ILE  57  16.240  17.293  -8.199
  440   HD13  ILE  57          HD13      ILE  57  16.831  18.105  -9.667
  441    H    SER  58           H        SER  58  13.563  23.050  -8.341
  442    HA   SER  58           HA       SER  58  14.312  24.195  -5.963
  443    HB2  SER  58           HB2      SER  58  12.532  25.335  -8.152
  444    HB3  SER  58           HB3      SER  58  13.128  26.291  -6.791
  445    HG   SER  58           HG       SER  58  14.489  26.492  -8.575
  446    H    GLY  59           H        GLY  59  11.032  23.160  -6.897
  447    HA2  GLY  59           HA2      GLY  59   9.540  24.561  -4.917
  448    HA3  GLY  59           HA3      GLY  59   9.026  23.152  -5.854
  449    H    GLN  60           H        GLN  60  11.663  21.824  -4.481
  450    HA   GLN  60           HA       GLN  60  10.433  21.275  -1.876
  451    HB2  GLN  60           HB2      GLN  60  10.981  18.966  -2.074
  452    HB3  GLN  60           HB3      GLN  60  10.013  19.462  -3.470
  453    HG2  GLN  60           HG2      GLN  60  11.895  19.341  -4.955
  454    HG3  GLN  60           HG3      GLN  60  13.030  19.214  -3.612
  455   HE21  GLN  60          HE22      GLN  60  13.956  17.267  -4.254
  456   HE22  GLN  60          HE21      GLN  60  13.129  15.749  -4.000
  457    H    THR  61           H        THR  61  12.058  20.325  -0.318
  458    HA   THR  61           HA       THR  61  14.696  21.661  -0.599
  459    HB   THR  61           HB       THR  61  14.405  22.052   1.891
  460    HG1  THR  61           HG1      THR  61  12.739  20.684   2.435
  461   HG21  THR  61          HG21      THR  61  12.303  23.301   0.078
  462   HG22  THR  61          HG22      THR  61  12.948  23.989   1.590
  463   HG23  THR  61          HG23      THR  61  14.013  23.798   0.184
  464    H    SER  62           H        SER  62  16.249  20.863   1.133
  465    HA   SER  62           HA       SER  62  16.613  18.037   0.755
  466    HB2  SER  62           HB2      SER  62  18.179  19.996   2.471
  467    HB3  SER  62           HB3      SER  62  18.724  18.411   1.883
  468    HG   SER  62           HG       SER  62  19.538  19.795   0.506
  469    H    ASP  63           H        ASP  63  17.203  16.551   2.594
  470    HA   ASP  63           HA       ASP  63  16.045  17.153   5.216
  471    HB2  ASP  63           HB2      ASP  63  14.699  15.448   3.198
  472    HB3  ASP  63           HB3      ASP  63  15.072  14.570   4.669
  473    HA   PRO  64           HA       PRO  64  19.426  14.162   5.934
  474    HB2  PRO  64           HB2      PRO  64  19.478  14.105   8.637
  475    HB3  PRO  64           HB3      PRO  64  19.974  15.566   7.738
  476    HG2  PRO  64           HG2      PRO  64  17.314  15.006   9.072
  477    HG3  PRO  64           HG3      PRO  64  18.294  16.501   9.139
  478    HD2  PRO  64           HD2      PRO  64  16.157  16.100   7.397
  479    HD3  PRO  64           HD3      PRO  64  17.516  17.212   7.062
  480    H    ILE  65           H        ILE  65  19.547  11.974   6.462
  481    HA   ILE  65           HA       ILE  65  17.256  10.316   6.435
  482    HB   ILE  65           HB       ILE  65  19.504   9.649   5.819
  483   HG12  ILE  65          HG12      ILE  65  18.380   7.833   7.991
  484   HG13  ILE  65          HG13      ILE  65  17.601   8.085   6.420
  485   HG21  ILE  65          HG21      ILE  65  21.208   8.989   7.416
  486   HG22  ILE  65          HG22      ILE  65  20.801  10.671   7.718
  487   HG23  ILE  65          HG23      ILE  65  20.167   9.403   8.788
  488   HD11  ILE  65          HD11      ILE  65  19.602   7.305   5.266
  489   HD12  ILE  65          HD12      ILE  65  20.389   6.943   6.829
  490   HD13  ILE  65          HD13      ILE  65  18.934   6.069   6.332
  491    H    GLU  66           H        GLU  66  18.967  11.770   9.140
  492    HA   GLU  66           HA       GLU  66  17.966  10.483  11.329
  493    HB2  GLU  66           HB2      GLU  66  18.573  13.435  10.934
  494    HB3  GLU  66           HB3      GLU  66  18.393  12.671  12.512
  495    HG2  GLU  66           HG2      GLU  66  20.451  11.773  10.452
  496    HG3  GLU  66           HG3      GLU  66  20.774  12.997  11.667
  497    H    ASN  67           H        ASN  67  16.145  12.687   9.214
  498    HA   ASN  67           HA       ASN  67  14.195  13.373  11.265
  499    HB2  ASN  67           HB2      ASN  67  14.974  14.913   9.431
  500    HB3  ASN  67           HB3      ASN  67  14.138  13.881   8.271
  501   HD21  ASN  67          HD22      ASN  67  12.831  15.715   7.669
  502   HD22  ASN  67          HD21      ASN  67  11.489  16.222   8.686
  503    H    PHE  68           H        PHE  68  14.608  10.530   9.383
  504    HA   PHE  68           HA       PHE  68  11.699   9.909   9.546
  505    HB2  PHE  68           HB2      PHE  68  13.714   9.292   7.356
  506    HB3  PHE  68           HB3      PHE  68  12.082   8.623   7.466
  507    HD1  PHE  68           HD1      PHE  68  14.038  11.699   6.786
  508    HD2  PHE  68           HD2      PHE  68  10.128   9.882   6.908
  509    HE1  PHE  68           HE1      PHE  68  13.081  13.670   5.639
  510    HE2  PHE  68           HE2      PHE  68   9.164  11.887   5.786
  511    HZ   PHE  68           HZ       PHE  68  10.642  13.790   5.156
  512    H    ASN  69           H        ASN  69  11.627   7.402   8.924
  513    HA   ASN  69           HA       ASN  69  13.447   5.838  10.648
  514    HB2  ASN  69           HB2      ASN  69  11.275   4.592  11.368
  515    HB3  ASN  69           HB3      ASN  69  11.759   6.063  12.209
  516   HD21  ASN  69          HD22      ASN  69  10.008   5.786   9.029
  517   HD22  ASN  69          HD21      ASN  69   8.582   6.635   9.604
  518    H    ALA  70           H        ALA  70  14.042   4.080   9.659
  519    HA   ALA  70           HA       ALA  70  13.533   3.511   7.006
  520    HB1  ALA  70           HB1      ALA  70  14.412   1.541   9.199
  521    HB2  ALA  70           HB2      ALA  70  14.713   1.362   7.462
  522    HB3  ALA  70           HB3      ALA  70  15.498   2.673   8.372
  523    H    ASP  71           H        ASP  71  11.729   2.327   9.792
  524    HA   ASP  71           HA       ASP  71  10.569   0.023   8.698
  525    HB2  ASP  71           HB2      ASP  71  10.513   0.619  11.079
  526    HB3  ASP  71           HB3      ASP  71   9.464   1.996  10.731
  527    H    ASP  72           H        ASP  72   9.912   3.360   7.898
  528    HA   ASP  72           HA       ASP  72   7.193   2.838   6.990
  529    HB2  ASP  72           HB2      ASP  72   7.827   4.933   8.143
  530    HB3  ASP  72           HB3      ASP  72   8.905   5.337   6.798
  531    H    TYR  73           H        TYR  73  10.392   2.492   5.698
  532    HA   TYR  73           HA       TYR  73   9.507   3.029   2.978
  533    HB2  TYR  73           HB2      TYR  73  12.241   3.078   4.264
  534    HB3  TYR  73           HB3      TYR  73  11.965   3.235   2.526
  535    HD1  TYR  73           HD2      TYR  73  10.693   5.176   1.602
  536    HD2  TYR  73           HD1      TYR  73  11.746   4.939   5.775
  537    HE1  TYR  73           HE2      TYR  73  10.066   7.538   1.885
  538    HE2  TYR  73           HE1      TYR  73  11.214   7.339   6.071
  539    HH   TYR  73           HH       TYR  73   9.928   9.314   3.314
  540    H    ASP  74           H        ASP  74   9.657   1.471   1.392
  541    HA   ASP  74           HA       ASP  74  10.127  -1.276   2.343
  542    HB2  ASP  74           HB2      ASP  74   8.852  -0.129  -0.166
  543    HB3  ASP  74           HB3      ASP  74   9.141  -1.846   0.094
  544    H    VAL  75           H        VAL  75  11.394   1.134   0.025
  545    HA   VAL  75           HA       VAL  75  13.689  -0.710  -0.468
  546    HB   VAL  75           HB       VAL  75  12.475  -1.048  -2.313
  547   HG11  VAL  75          HG11      VAL  75  11.261   0.438  -3.765
  548   HG12  VAL  75          HG12      VAL  75  10.594   0.361  -2.130
  549   HG13  VAL  75          HG13      VAL  75  11.572   1.745  -2.621
  550   HG21  VAL  75          HG21      VAL  75  14.052   1.324  -3.338
  551   HG22  VAL  75          HG22      VAL  75  14.801  -0.201  -2.874
  552   HG23  VAL  75          HG23      VAL  75  13.632  -0.169  -4.201
  553    H    VAL  76           H        VAL  76  15.670   0.133  -0.396
  554    HA   VAL  76           HA       VAL  76  15.860   3.103  -0.030
  555    HB   VAL  76           HB       VAL  76  17.283   0.957   1.529
  556   HG11  VAL  76          HG11      VAL  76  18.324   2.551   2.830
  557   HG12  VAL  76          HG12      VAL  76  18.623   3.060   1.184
  558   HG13  VAL  76          HG13      VAL  76  17.378   3.905   2.138
  559   HG21  VAL  76          HG21      VAL  76  15.992   1.854   3.487
  560   HG22  VAL  76          HG22      VAL  76  15.002   2.788   2.356
  561   HG23  VAL  76          HG23      VAL  76  15.004   1.013   2.302
  562    H    ILE  77           H        ILE  77  16.953   3.959  -1.571
  563    HA   ILE  77           HA       ILE  77  19.117   2.496  -2.963
  564    HB   ILE  77           HB       ILE  77  17.326   4.828  -3.770
  565   HG12  ILE  77          HG12      ILE  77  16.050   2.814  -3.931
  566   HG13  ILE  77          HG13      ILE  77  16.537   3.290  -5.552
  567   HG21  ILE  77          HG21      ILE  77  19.534   5.179  -4.719
  568   HG22  ILE  77          HG22      ILE  77  19.594   3.510  -5.294
  569   HG23  ILE  77          HG23      ILE  77  18.416   4.672  -5.968
  570   HD11  ILE  77          HD11      ILE  77  18.311   1.569  -5.546
  571   HD12  ILE  77          HD12      ILE  77  17.855   1.079  -3.905
  572   HD13  ILE  77          HD13      ILE  77  16.715   0.856  -5.247
  573    H    SER  78           H        SER  78  20.859   2.898  -1.730
  574    HA   SER  78           HA       SER  78  21.346   5.662  -0.804
  575    HB2  SER  78           HB2      SER  78  22.999   3.132  -0.634
  576    HB3  SER  78           HB3      SER  78  23.574   4.760  -0.170
  577    HG   SER  78           HG       SER  78  21.170   3.612   0.785
  578    H    LEU  79           H        LEU  79  23.113   6.827  -1.741
  579    HA   LEU  79           HA       LEU  79  24.258   6.005  -4.277
  580    HB2  LEU  79           HB2      LEU  79  23.350   8.628  -4.909
  581    HB3  LEU  79           HB3      LEU  79  23.016   7.115  -5.677
  582    HG   LEU  79           HG       LEU  79  21.012   6.935  -3.928
  583   HD11  LEU  79          HD11      LEU  79  21.952   8.916  -2.676
  584   HD12  LEU  79          HD12      LEU  79  21.463   9.927  -4.026
  585   HD13  LEU  79          HD13      LEU  79  20.233   9.019  -3.104
  586   HD21  LEU  79          HD21      LEU  79  20.646   7.160  -6.316
  587   HD22  LEU  79          HD22      LEU  79  19.577   8.268  -5.449
  588   HD23  LEU  79          HD23      LEU  79  21.023   8.893  -6.266
  589    H    CYS  80           H        CYS  80  25.479   6.008  -2.005
  590    HA   CYS  80           HA       CYS  80  26.645   8.602  -1.270
  591    HB2  CYS  80           HB2      CYS  80  27.185   5.714  -0.480
  592    HB3  CYS  80           HB3      CYS  80  28.094   7.096   0.177
  593    HG   CYS  80           HG       CYS  80  24.813   6.585   0.220
  594    H    GLY  81           H        GLY  81  27.627   5.624  -3.063
  595    HA2  GLY  81           HA2      GLY  81  28.558   6.379  -5.293
  596    HA3  GLY  81           HA3      GLY  81  29.795   7.232  -4.376
  597    H    CYS  82           H        CYS  82  30.850   5.696  -2.604
  598    HA   CYS  82           HA       CYS  82  32.271   3.836  -4.253
  599    HB2  CYS  82           HB2      CYS  82  32.676   4.467  -1.294
  600    HB3  CYS  82           HB3      CYS  82  33.854   3.744  -2.393
  601    HG   CYS  82           HG       CYS  82  34.549   6.209  -1.888
  602    H    GLY  83           H        GLY  83  29.597   2.897  -3.750
  603    HA2  GLY  83           HA2      GLY  83  28.446   1.015  -3.179
  604    HA3  GLY  83           HA3      GLY  83  29.991   0.159  -2.997
  605    H    VAL  84           H        VAL  84  29.006   3.092  -1.209
  606    HA   VAL  84           HA       VAL  84  29.753   1.935   1.306
  607    HB   VAL  84           HB       VAL  84  28.322   4.525   0.871
  608   HG11  VAL  84          HG11      VAL  84  28.452   3.947   3.223
  609   HG12  VAL  84          HG12      VAL  84  30.196   3.606   3.076
  610   HG13  VAL  84          HG13      VAL  84  29.572   5.258   2.899
  611   HG21  VAL  84          HG21      VAL  84  30.584   5.620   0.820
  612   HG22  VAL  84          HG22      VAL  84  31.310   4.006   0.686
  613   HG23  VAL  84          HG23      VAL  84  30.252   4.640  -0.599
  614    H    ASN  85           H        ASN  85  28.290   1.857   3.132
  615    HA   ASN  85           HA       ASN  85  25.573   0.919   2.395
  616    HB2  ASN  85           HB2      ASN  85  27.363  -0.945   2.392
  617    HB3  ASN  85           HB3      ASN  85  27.579  -0.631   4.117
  618   HD21  ASN  85          HD22      ASN  85  25.035  -1.316   1.672
  619   HD22  ASN  85          HD21      ASN  85  24.046  -2.305   2.717
  620    H    LEU  86           H        LEU  86  24.157   0.618   4.241
  621    HA   LEU  86           HA       LEU  86  24.607   2.827   6.195
  622    HB2  LEU  86           HB2      LEU  86  22.026   1.520   5.267
  623    HB3  LEU  86           HB3      LEU  86  22.202   2.903   6.334
  624    HG   LEU  86           HG       LEU  86  22.751   2.777   3.334
  625   HD11  LEU  86          HD11      LEU  86  21.045   4.577   3.317
  626   HD12  LEU  86          HD12      LEU  86  20.424   3.087   4.036
  627   HD13  LEU  86          HD13      LEU  86  20.883   4.455   5.079
  628   HD21  LEU  86          HD21      LEU  86  23.474   5.034   5.240
  629   HD22  LEU  86          HD22      LEU  86  24.575   4.092   4.192
  630   HD23  LEU  86          HD23      LEU  86  23.385   5.165   3.464
  631    HA   PRO  87           HA       PRO  87  24.969  -0.601   9.177
  632    HB2  PRO  87           HB2      PRO  87  24.876   1.785  11.017
  633    HB3  PRO  87           HB3      PRO  87  25.900   0.323  11.107
  634    HG2  PRO  87           HG2      PRO  87  26.909   2.658  10.152
  635    HG3  PRO  87           HG3      PRO  87  27.311   1.101   9.356
  636    HD2  PRO  87           HD2      PRO  87  25.277   3.172   8.510
  637    HD3  PRO  87           HD3      PRO  87  26.441   2.248   7.517
  638    HA   PRO  88           HA       PRO  88  20.966   0.680  11.378
  639    HB2  PRO  88           HB2      PRO  88  19.357   2.754  10.552
  640    HB3  PRO  88           HB3      PRO  88  20.773   2.974  11.612
  641    HG2  PRO  88           HG2      PRO  88  20.712   3.269   8.577
  642    HG3  PRO  88           HG3      PRO  88  21.288   4.460   9.795
  643    HD2  PRO  88           HD2      PRO  88  22.914   2.827   8.497
  644    HD3  PRO  88           HD3      PRO  88  23.174   3.143  10.242
  645    H    GLU  89           H        GLU  89  18.524   0.591  10.968
  646    HA   GLU  89           HA       GLU  89  17.979  -1.698   9.527
  647    HB2  GLU  89           HB2      GLU  89  16.020   0.472  10.362
  648    HB3  GLU  89           HB3      GLU  89  15.604  -1.207  10.025
  649    HG2  GLU  89           HG2      GLU  89  17.323  -0.196  12.323
  650    HG3  GLU  89           HG3      GLU  89  15.636  -0.671  12.406
  651    H    TRP  90           H        TRP  90  18.236   1.429   8.172
  652    HA   TRP  90           HA       TRP  90  16.444   1.324   5.986
  653    HB2  TRP  90           HB2      TRP  90  19.235   2.507   6.230
  654    HB3  TRP  90           HB3      TRP  90  18.079   2.867   4.955
  655    HD1  TRP  90           HD1      TRP  90  18.722   3.605   8.627
  656    HE1  TRP  90           HE1      TRP  90  17.442   5.630   9.335
  657    HE3  TRP  90           HE3      TRP  90  15.752   3.996   4.520
  658    HZ2  TRP  90           HZ2      TRP  90  15.154   7.187   8.299
  659    HZ3  TRP  90           HZ3      TRP  90  13.978   5.712   4.425
  660    HH2  TRP  90           HH2      TRP  90  13.668   7.301   6.290
  661    H    VAL  91           H        VAL  91  19.370  -0.625   6.637
  662    HA   VAL  91           HA       VAL  91  19.597  -1.205   3.791
  663    HB   VAL  91           HB       VAL  91  21.567  -0.867   5.266
  664   HG11  VAL  91          HG11      VAL  91  20.778  -2.151   7.291
  665   HG12  VAL  91          HG12      VAL  91  21.029  -3.654   6.369
  666   HG13  VAL  91          HG13      VAL  91  22.392  -2.592   6.747
  667   HG21  VAL  91          HG21      VAL  91  22.936  -2.678   4.354
  668   HG22  VAL  91          HG22      VAL  91  21.483  -3.553   3.856
  669   HG23  VAL  91          HG23      VAL  91  21.855  -1.971   3.135
  670    H    THR  92           H        THR  92  17.815  -2.387   6.547
  671    HA   THR  92           HA       THR  92  17.748  -5.104   5.488
  672    HB   THR  92           HB       THR  92  16.862  -5.672   7.768
  673    HG1  THR  92           HG1      THR  92  15.988  -3.708   8.392
  674   HG21  THR  92          HG21      THR  92  19.415  -4.040   7.974
  675   HG22  THR  92          HG22      THR  92  18.935  -5.450   8.934
  676   HG23  THR  92          HG23      THR  92  19.348  -5.657   7.223
  677    H    GLN  93           H        GLN  93  16.233  -2.857   4.341
  678    HA   GLN  93           HA       GLN  93  13.416  -3.719   4.681
  679    HB2  GLN  93           HB2      GLN  93  14.531  -1.497   2.924
  680    HB3  GLN  93           HB3      GLN  93  12.833  -1.848   3.275
  681    HG2  GLN  93           HG2      GLN  93  14.913  -0.766   5.183
  682    HG3  GLN  93           HG3      GLN  93  13.451   0.021   4.617
  683   HE21  GLN  93          HE22      GLN  93  14.718  -1.315   7.322
  684   HE22  GLN  93          HE21      GLN  93  13.266  -1.952   8.076
  685    H    GLU  94           H        GLU  94  12.479  -3.481   2.051
  686    HA   GLU  94           HA       GLU  94  12.947  -6.182   1.333
  687    HB2  GLU  94           HB2      GLU  94  11.556  -4.012  -0.289
  688    HB3  GLU  94           HB3      GLU  94  11.450  -5.755  -0.547
  689    HG2  GLU  94           HG2      GLU  94  10.549  -5.905   1.858
  690    HG3  GLU  94           HG3      GLU  94  10.348  -4.151   1.783
  691    H    ILE  95           H        ILE  95  14.298  -3.158   0.074
  692    HA   ILE  95           HA       ILE  95  16.054  -4.676  -1.805
  693    HB   ILE  95           HB       ILE  95  14.265  -2.353  -2.454
  694   HG12  ILE  95          HG12      ILE  95  14.416  -5.255  -3.335
  695   HG13  ILE  95          HG13      ILE  95  13.050  -4.386  -2.621
  696   HG21  ILE  95          HG21      ILE  95  16.458  -3.591  -4.197
  697   HG22  ILE  95          HG22      ILE  95  15.341  -2.300  -4.691
  698   HG23  ILE  95          HG23      ILE  95  16.531  -1.975  -3.459
  699   HD11  ILE  95          HD11      ILE  95  12.569  -4.771  -4.913
  700   HD12  ILE  95          HD12      ILE  95  12.914  -3.030  -4.736
  701   HD13  ILE  95          HD13      ILE  95  14.145  -4.137  -5.418
  702    H    PHE  96           H        PHE  96  18.145  -3.744  -1.860
  703    HA   PHE  96           HA       PHE  96  18.552  -1.065  -0.874
  704    HB2  PHE  96           HB2      PHE  96  19.086  -2.326   1.133
  705    HB3  PHE  96           HB3      PHE  96  20.093  -3.446   0.209
  706    HD1  PHE  96           HD1      PHE  96  22.311  -2.750  -0.664
  707    HD2  PHE  96           HD2      PHE  96  19.816   0.024   1.506
  708    HE1  PHE  96           HE1      PHE  96  24.123  -1.054  -0.746
  709    HE2  PHE  96           HE2      PHE  96  21.690   1.644   1.549
  710    HZ   PHE  96           HZ       PHE  96  23.838   1.123   0.427
  711    H    GLU  97           H        GLU  97  20.028  -0.052  -2.153
  712    HA   GLU  97           HA       GLU  97  22.130  -1.524  -3.553
  713    HB2  GLU  97           HB2      GLU  97  20.049   0.193  -4.982
  714    HB3  GLU  97           HB3      GLU  97  21.682  -0.025  -5.609
  715    HG2  GLU  97           HG2      GLU  97  21.377  -2.465  -5.600
  716    HG3  GLU  97           HG3      GLU  97  19.661  -2.238  -5.184
  717    H    ASP  98           H        ASP  98  23.797  -0.031  -4.181
  718    HA   ASP  98           HA       ASP  98  23.587   2.717  -3.150
  719    HB2  ASP  98           HB2      ASP  98  25.140   1.521  -1.687
  720    HB3  ASP  98           HB3      ASP  98  26.176   1.169  -3.078
  721    H    TRP  99           H        TRP  99  23.089   3.716  -5.054
  722    HA   TRP  99           HA       TRP  99  24.155   2.905  -7.622
  723    HB2  TRP  99           HB2      TRP  99  22.564   5.349  -6.775
  724    HB3  TRP  99           HB3      TRP  99  23.017   5.004  -8.416
  725    HD1  TRP  99           HD1      TRP  99  22.067   1.719  -7.032
  726    HE1  TRP  99           HE1      TRP  99  19.671   1.100  -7.596
  727    HE3  TRP  99           HE3      TRP  99  20.446   6.326  -8.521
  728    HZ2  TRP  99           HZ2      TRP  99  17.185   2.545  -8.340
  729    HZ3  TRP  99           HZ3      TRP  99  18.062   6.703  -9.044
  730    HH2  TRP  99           HH2      TRP  99  16.447   4.835  -8.906
  731    H    GLN 100           H        GLN 100  26.305   2.994  -7.785
  732    HA   GLN 100           HA       GLN 100  27.975   5.158  -6.993
  733    HB2  GLN 100           HB2      GLN 100  28.725   2.869  -7.544
  734    HB3  GLN 100           HB3      GLN 100  28.337   3.127  -9.247
  735    HG2  GLN 100           HG2      GLN 100  30.094   4.697  -9.535
  736    HG3  GLN 100           HG3      GLN 100  30.217   5.029  -7.805
  737   HE21  GLN 100          HE22      GLN 100  30.863   3.143  -6.390
  738   HE22  GLN 100          HE21      GLN 100  32.104   2.051  -7.003
  739    H    LEU 101           H        LEU 101  28.049   7.181  -7.825
  740    HA   LEU 101           HA       LEU 101  27.131   7.889 -10.525
  741    HB2  LEU 101           HB2      LEU 101  25.710   8.537  -7.916
  742    HB3  LEU 101           HB3      LEU 101  25.541   9.571  -9.343
  743    HG   LEU 101           HG       LEU 101  24.663   6.657  -9.165
  744   HD11  LEU 101          HD11      LEU 101  23.385   8.097  -7.690
  745   HD12  LEU 101          HD12      LEU 101  23.087   9.241  -9.008
  746   HD13  LEU 101          HD13      LEU 101  22.408   7.589  -9.068
  747   HD21  LEU 101          HD21      LEU 101  25.177   7.193 -11.461
  748   HD22  LEU 101          HD22      LEU 101  23.419   7.193 -11.253
  749   HD23  LEU 101          HD23      LEU 101  24.304   8.725 -11.364
  750    H    GLU 102           H        GLU 102  27.892   9.897 -11.045
  751    HA   GLU 102           HA       GLU 102  30.066  10.864  -9.476
  752    HB2  GLU 102           HB2      GLU 102  29.061  11.640 -12.261
  753    HB3  GLU 102           HB3      GLU 102  30.576  12.166 -11.539
  754    HG2  GLU 102           HG2      GLU 102  31.171  10.413 -12.959
  755    HG3  GLU 102           HG3      GLU 102  31.276   9.784 -11.315
  756    H    ASP 103           H        ASP 103  28.473  11.429  -7.871
  757    HA   ASP 103           HA       ASP 103  26.872  13.142  -7.056
  758    HB2  ASP 103           HB2      ASP 103  28.768  12.261  -5.738
  759    HB3  ASP 103           HB3      ASP 103  29.778  13.583  -6.268
  760    HA   PRO 104           HA       PRO 104  27.560  16.331 -10.177
  761    HB2  PRO 104           HB2      PRO 104  24.709  16.951  -9.516
  762    HB3  PRO 104           HB3      PRO 104  25.562  16.899 -11.108
  763    HG2  PRO 104           HG2      PRO 104  24.066  14.797 -10.311
  764    HG3  PRO 104           HG3      PRO 104  25.657  14.563 -11.107
  765    HD2  PRO 104           HD2      PRO 104  24.987  14.407  -8.163
  766    HD3  PRO 104           HD3      PRO 104  26.051  13.352  -9.152
  767    H    ASP 105           H        ASP 105  26.961  16.983  -6.833
  768    HA   ASP 105           HA       ASP 105  26.541  19.776  -6.876
  769    HB2  ASP 105           HB2      ASP 105  26.272  18.246  -4.926
  770    HB3  ASP 105           HB3      ASP 105  28.021  18.155  -4.769
  771    H    GLY 106           H        GLY 106  27.765  20.784  -8.378
  772    HA2  GLY 106           HA2      GLY 106  29.399  22.525  -8.392
  773    HA3  GLY 106           HA3      GLY 106  30.546  21.463  -7.567
  774    H    GLN 107           H        GLN 107  28.738  19.903 -10.147
  775    HA   GLN 107           HA       GLN 107  31.316  19.669 -11.576
  776    HB2  GLN 107           HB2      GLN 107  28.795  18.068 -12.022
  777    HB3  GLN 107           HB3      GLN 107  30.449  17.658 -12.491
  778    HG2  GLN 107           HG2      GLN 107  29.469  17.828  -9.627
  779    HG3  GLN 107           HG3      GLN 107  29.547  16.367 -10.614
  780   HE21  GLN 107          HE22      GLN 107  30.679  15.874  -8.491
  781   HE22  GLN 107          HE21      GLN 107  32.438  15.968  -8.555
  782    H    SER 108           H        SER 108  30.937  19.025 -13.983
  783    HA   SER 108           HA       SER 108  30.036  21.367 -15.461
  784    HB2  SER 108           HB2      SER 108  31.098  18.630 -16.286
  785    HB3  SER 108           HB3      SER 108  30.996  20.066 -17.335
  786    HG   SER 108           HG       SER 108  33.099  19.779 -16.474
  787    H    LEU 109           H        LEU 109  28.382  21.237 -17.186
  788    HA   LEU 109           HA       LEU 109  26.021  19.891 -16.437
  789    HB2  LEU 109           HB2      LEU 109  26.840  21.006 -19.143
  790    HB3  LEU 109           HB3      LEU 109  25.224  20.403 -18.779
  791    HG   LEU 109           HG       LEU 109  26.555  22.709 -17.299
  792   HD11  LEU 109          HD11      LEU 109  25.027  24.161 -18.584
  793   HD12  LEU 109          HD12      LEU 109  26.116  23.275 -19.660
  794   HD13  LEU 109          HD13      LEU 109  24.427  22.751 -19.487
  795   HD21  LEU 109          HD21      LEU 109  24.839  21.621 -15.911
  796   HD22  LEU 109          HD22      LEU 109  24.245  23.177 -16.484
  797   HD23  LEU 109          HD23      LEU 109  23.677  21.682 -17.255
  798    H    GLU 110           H        GLU 110  28.621  18.829 -18.628
  799    HA   GLU 110           HA       GLU 110  27.316  16.571 -19.696
  800    HB2  GLU 110           HB2      GLU 110  30.273  16.846 -18.981
  801    HB3  GLU 110           HB3      GLU 110  29.554  15.671 -20.078
  802    HG2  GLU 110           HG2      GLU 110  30.213  17.141 -21.651
  803    HG3  GLU 110           HG3      GLU 110  28.653  17.878 -21.318
  804    H    VAL 111           H        VAL 111  28.972  16.995 -16.541
  805    HA   VAL 111           HA       VAL 111  28.825  14.197 -15.809
  806    HB   VAL 111           HB       VAL 111  29.235  16.690 -14.136
  807   HG11  VAL 111          HG11      VAL 111  28.459  14.969 -12.641
  808   HG12  VAL 111          HG12      VAL 111  29.500  13.750 -13.416
  809   HG13  VAL 111          HG13      VAL 111  30.213  15.058 -12.458
  810   HG21  VAL 111          HG21      VAL 111  31.622  16.013 -14.140
  811   HG22  VAL 111          HG22      VAL 111  31.236  14.650 -15.211
  812   HG23  VAL 111          HG23      VAL 111  31.059  16.319 -15.785
  813    H    PHE 112           H        PHE 112  26.868  17.149 -15.162
  814    HA   PHE 112           HA       PHE 112  24.881  15.951 -13.537
  815    HB2  PHE 112           HB2      PHE 112  24.947  18.323 -15.397
  816    HB3  PHE 112           HB3      PHE 112  23.414  17.743 -14.808
  817    HD1  PHE 112           HD2      PHE 112  22.716  17.887 -12.495
  818    HD2  PHE 112           HD1      PHE 112  26.551  19.362 -13.822
  819    HE1  PHE 112           HE2      PHE 112  23.039  19.032 -10.317
  820    HE2  PHE 112           HE1      PHE 112  26.866  20.485 -11.642
  821    HZ   PHE 112           HZ       PHE 112  25.175  20.243  -9.882
  822    H    ARG 113           H        ARG 113  24.818  16.381 -17.140
  823    HA   ARG 113           HA       ARG 113  22.506  14.841 -17.570
  824    HB2  ARG 113           HB2      ARG 113  24.923  15.453 -19.319
  825    HB3  ARG 113           HB3      ARG 113  23.539  14.526 -19.928
  826    HG2  ARG 113           HG2      ARG 113  22.007  16.316 -19.566
  827    HG3  ARG 113           HG3      ARG 113  23.180  17.181 -18.556
  828    HD2  ARG 113           HD2      ARG 113  24.404  17.991 -20.207
  829    HD3  ARG 113           HD3      ARG 113  23.859  16.783 -21.420
  830    HE   ARG 113           HE       ARG 113  21.595  18.283 -20.654
  831   HH11  ARG 113          HH11      ARG 113  24.721  18.904 -22.260
  832   HH12  ARG 113          HH12      ARG 113  24.140  20.238 -23.182
  833   HH21  ARG 113          HH21      ARG 113  20.824  20.037 -21.893
  834   HH22  ARG 113          HH22      ARG 113  21.877  20.898 -22.975
  835    H    THR 114           H        THR 114  25.931  13.653 -17.364
  836    HA   THR 114           HA       THR 114  25.366  10.994 -18.087
  837    HB   THR 114           HB       THR 114  27.480  12.304 -16.315
  838    HG1  THR 114           HG1      THR 114  27.652  13.038 -18.332
  839   HG21  THR 114          HG21      THR 114  27.496   9.999 -15.749
  840   HG22  THR 114          HG22      THR 114  27.387   9.504 -17.461
  841   HG23  THR 114          HG23      THR 114  28.860  10.301 -16.836
  842    H    VAL 115           H        VAL 115  25.398  12.579 -14.825
  843    HA   VAL 115           HA       VAL 115  24.565  10.180 -13.503
  844    HB   VAL 115           HB       VAL 115  24.610  13.079 -12.736
  845   HG11  VAL 115          HG11      VAL 115  24.215  12.358 -10.351
  846   HG12  VAL 115          HG12      VAL 115  22.794  12.203 -11.383
  847   HG13  VAL 115          HG13      VAL 115  23.745  10.772 -10.951
  848   HG21  VAL 115          HG21      VAL 115  26.227  10.652 -11.876
  849   HG22  VAL 115          HG22      VAL 115  26.786  11.960 -12.939
  850   HG23  VAL 115          HG23      VAL 115  26.450  12.296 -11.242
  851    H    ARG 116           H        ARG 116  22.681  13.002 -14.769
  852    HA   ARG 116           HA       ARG 116  20.212  12.184 -13.728
  853    HB2  ARG 116           HB2      ARG 116  20.702  14.382 -14.970
  854    HB3  ARG 116           HB3      ARG 116  20.594  13.457 -16.477
  855    HG2  ARG 116           HG2      ARG 116  18.269  12.629 -15.360
  856    HG3  ARG 116           HG3      ARG 116  18.505  14.063 -14.387
  857    HD2  ARG 116           HD2      ARG 116  16.933  14.155 -16.344
  858    HD3  ARG 116           HD3      ARG 116  18.083  15.477 -16.259
  859    HE   ARG 116           HE       ARG 116  18.411  13.073 -18.038
  860   HH11  ARG 116          HH11      ARG 116  18.350  16.592 -17.728
  861   HH12  ARG 116          HH12      ARG 116  19.333  16.901 -19.125
  862   HH21  ARG 116          HH21      ARG 116  19.549  13.468 -20.030
  863   HH22  ARG 116          HH22      ARG 116  19.837  15.088 -20.543
  864    H    GLY 117           H        GLY 117  21.815  11.224 -16.807
  865    HA2  GLY 117           HA2      GLY 117  19.685   9.618 -17.748
  866    HA3  GLY 117           HA3      GLY 117  21.406   9.421 -18.191
  867    H    GLN 118           H        GLN 118  22.565   8.679 -15.736
  868    HA   GLN 118           HA       GLN 118  21.917   5.925 -15.550
  869    HB2  GLN 118           HB2      GLN 118  23.396   7.811 -13.674
  870    HB3  GLN 118           HB3      GLN 118  23.301   6.069 -13.428
  871    HG2  GLN 118           HG2      GLN 118  24.523   5.645 -15.493
  872    HG3  GLN 118           HG3      GLN 118  24.500   7.368 -15.893
  873   HE21  GLN 118          HE22      GLN 118  25.807   8.828 -14.759
  874   HE22  GLN 118          HE21      GLN 118  27.124   8.341 -13.687
  875    H    VAL 119           H        VAL 119  21.358   8.543 -13.205
  876    HA   VAL 119           HA       VAL 119  19.778   7.291 -11.328
  877    HB   VAL 119           HB       VAL 119  19.684  10.164 -12.374
  878   HG11  VAL 119          HG11      VAL 119  17.547   9.763 -11.293
  879   HG12  VAL 119          HG12      VAL 119  18.348   9.011  -9.907
  880   HG13  VAL 119          HG13      VAL 119  18.568  10.750 -10.241
  881   HG21  VAL 119          HG21      VAL 119  21.003  10.682 -10.407
  882   HG22  VAL 119          HG22      VAL 119  20.782   9.050  -9.756
  883   HG23  VAL 119          HG23      VAL 119  21.804   9.308 -11.181
  884    H    LYS 120           H        LYS 120  18.519   8.904 -14.362
  885    HA   LYS 120           HA       LYS 120  15.819   8.439 -13.572
  886    HB2  LYS 120           HB2      LYS 120  16.391  10.175 -15.178
  887    HB3  LYS 120           HB3      LYS 120  17.113   8.990 -16.284
  888    HG2  LYS 120           HG2      LYS 120  14.930   7.961 -16.683
  889    HG3  LYS 120           HG3      LYS 120  14.164   9.068 -15.522
  890    HD2  LYS 120           HD2      LYS 120  14.732  10.995 -16.924
  891    HD3  LYS 120           HD3      LYS 120  15.618   9.968 -18.061
  892    HE2  LYS 120           HE2      LYS 120  12.655   9.669 -17.408
  893    HE3  LYS 120           HE3      LYS 120  13.279  10.612 -18.771
  894    HZ1  LYS 120           HZ1      LYS 120  13.536   7.671 -18.410
  895    HZ2  LYS 120           HZ2      LYS 120  12.660   8.459 -19.533
  896    HZ3  LYS 120           HZ3      LYS 120  14.284   8.527 -19.607
  897    H    GLU 121           H        GLU 121  17.968   6.667 -15.780
  898    HA   GLU 121           HA       GLU 121  16.204   4.577 -16.497
  899    HB2  GLU 121           HB2      GLU 121  18.083   4.401 -17.771
  900    HB3  GLU 121           HB3      GLU 121  19.067   5.218 -16.551
  901    HG2  GLU 121           HG2      GLU 121  19.667   3.387 -15.419
  902    HG3  GLU 121           HG3      GLU 121  18.466   2.316 -16.193
  903    H    ARG 122           H        ARG 122  18.354   4.967 -13.632
  904    HA   ARG 122           HA       ARG 122  17.784   2.278 -12.717
  905    HB2  ARG 122           HB2      ARG 122  19.099   4.657 -11.380
  906    HB3  ARG 122           HB3      ARG 122  18.935   3.049 -10.647
  907    HG2  ARG 122           HG2      ARG 122  20.328   1.980 -12.184
  908    HG3  ARG 122           HG3      ARG 122  20.277   3.326 -13.324
  909    HD2  ARG 122           HD2      ARG 122  21.431   4.769 -11.677
  910    HD3  ARG 122           HD3      ARG 122  21.614   3.354 -10.603
  911    HE   ARG 122           HE       ARG 122  22.604   2.710 -13.197
  912   HH11  ARG 122          HH11      ARG 122  23.528   4.607 -10.368
  913   HH12  ARG 122          HH12      ARG 122  25.199   4.769 -10.825
  914   HH21  ARG 122          HH21      ARG 122  24.819   2.941 -13.835
  915   HH22  ARG 122          HH22      ARG 122  25.844   4.024 -12.964
  916    H    VAL 123           H        VAL 123  16.406   5.527 -11.653
  917    HA   VAL 123           HA       VAL 123  14.533   4.537  -9.888
  918    HB   VAL 123           HB       VAL 123  14.314   6.784 -11.925
  919   HG11  VAL 123          HG11      VAL 123  12.520   7.669 -10.467
  920   HG12  VAL 123          HG12      VAL 123  12.048   6.167 -11.256
  921   HG13  VAL 123          HG13      VAL 123  12.515   6.146  -9.543
  922   HG21  VAL 123          HG21      VAL 123  14.803   8.247 -10.044
  923   HG22  VAL 123          HG22      VAL 123  14.847   6.876  -8.922
  924   HG23  VAL 123          HG23      VAL 123  16.094   7.059 -10.162
  925    H    GLU 124           H        GLU 124  14.222   4.718 -13.536
  926    HA   GLU 124           HA       GLU 124  11.669   3.521 -13.578
  927    HB2  GLU 124           HB2      GLU 124  13.893   3.452 -15.675
  928    HB3  GLU 124           HB3      GLU 124  12.272   2.816 -15.942
  929    HG2  GLU 124           HG2      GLU 124  11.318   5.068 -15.515
  930    HG3  GLU 124           HG3      GLU 124  12.957   5.701 -15.309
  931    H    ASN 125           H        ASN 125  14.890   2.071 -13.509
  932    HA   ASN 125           HA       ASN 125  14.123  -0.618 -13.975
  933    HB2  ASN 125           HB2      ASN 125  16.490   0.545 -13.958
  934    HB3  ASN 125           HB3      ASN 125  16.504   0.131 -12.248
  935   HD21  ASN 125          HD22      ASN 125  16.975  -0.970 -15.465
  936   HD22  ASN 125          HD21      ASN 125  17.233  -2.662 -15.109
  937    H    LEU 126           H        LEU 126  14.600   1.241 -10.982
  938    HA   LEU 126           HA       LEU 126  13.991  -0.870  -9.199
  939    HB2  LEU 126           HB2      LEU 126  14.597   0.491  -7.583
  940    HB3  LEU 126           HB3      LEU 126  15.067   1.585  -8.857
  941    HG   LEU 126           HG       LEU 126  12.650   2.501  -8.673
  942   HD11  LEU 126          HD11      LEU 126  11.543   2.280  -6.530
  943   HD12  LEU 126          HD12      LEU 126  11.924   0.624  -7.031
  944   HD13  LEU 126          HD13      LEU 126  12.926   1.411  -5.831
  945   HD21  LEU 126          HD21      LEU 126  13.291   4.121  -7.053
  946   HD22  LEU 126          HD22      LEU 126  14.491   3.031  -6.327
  947   HD23  LEU 126          HD23      LEU 126  14.753   3.683  -7.947
  948    H    ILE 127           H        ILE 127  11.896   1.657 -10.570
  949    HA   ILE 127           HA       ILE 127   9.443   0.801  -9.418
  950    HB   ILE 127           HB       ILE 127  10.227   2.223 -11.988
  951   HG12  ILE 127          HG12      ILE 127   8.782   3.356  -9.549
  952   HG13  ILE 127          HG13      ILE 127  10.538   3.334  -9.665
  953   HG21  ILE 127          HG21      ILE 127   8.165   1.260 -12.566
  954   HG22  ILE 127          HG22      ILE 127   7.439   1.590 -10.978
  955   HG23  ILE 127          HG23      ILE 127   7.770   2.910 -12.136
  956   HD11  ILE 127          HD11      ILE 127  10.417   4.651 -11.788
  957   HD12  ILE 127          HD12      ILE 127   8.671   4.806 -11.572
  958   HD13  ILE 127          HD13      ILE 127   9.766   5.507 -10.375
  959    H    ALA 128           H        ALA 128  11.185  -0.427 -12.334
  960    HA   ALA 128           HA       ALA 128   8.973  -1.806 -13.409
  961    HB1  ALA 128           HB1      ALA 128  11.074  -1.386 -14.651
  962    HB2  ALA 128           HB2      ALA 128  11.917  -2.576 -13.629
  963    HB3  ALA 128           HB3      ALA 128  10.608  -3.095 -14.706
  964    H    LYS 129           H        LYS 129  11.178  -2.716 -10.853
  965    HA   LYS 129           HA       LYS 129  10.587  -5.482 -10.627
  966    HB2  LYS 129           HB2      LYS 129  11.639  -3.438  -8.677
  967    HB3  LYS 129           HB3      LYS 129  11.689  -5.185  -8.396
  968    HG2  LYS 129           HG2      LYS 129  13.162  -5.524 -10.306
  969    HG3  LYS 129           HG3      LYS 129  12.989  -3.842 -10.806
  970    HD2  LYS 129           HD2      LYS 129  13.900  -3.289  -8.407
  971    HD3  LYS 129           HD3      LYS 129  14.511  -4.950  -8.457
  972    HE2  LYS 129           HE2      LYS 129  15.060  -2.690 -10.444
  973    HE3  LYS 129           HE3      LYS 129  16.197  -3.263  -9.223
  974    HZ1  LYS 129           HZ1      LYS 129  15.193  -4.960 -11.434
  975    HZ2  LYS 129           HZ2      LYS 129  16.545  -4.070 -11.524
  976    HZ3  LYS 129           HZ3      LYS 129  16.444  -5.294 -10.423
  977    H    ILE 130           H        ILE 130   8.823  -2.641  -9.517
  978    HA   ILE 130           HA       ILE 130   7.204  -4.208  -7.667
  979    HB   ILE 130           HB       ILE 130   7.030  -1.902  -6.574
  980   HG12  ILE 130          HG12      ILE 130   9.255  -1.231  -8.429
  981   HG13  ILE 130          HG13      ILE 130   7.739  -0.376  -8.158
  982   HG21  ILE 130          HG21      ILE 130   9.803  -3.183  -6.700
  983   HG22  ILE 130          HG22      ILE 130   9.089  -2.379  -5.282
  984   HG23  ILE 130          HG23      ILE 130   8.445  -3.928  -5.828
  985   HD11  ILE 130          HD11      ILE 130  10.150  -0.596  -6.312
  986   HD12  ILE 130          HD12      ILE 130   9.573   0.839  -7.157
  987   HD13  ILE 130          HD13      ILE 130   8.607   0.131  -5.823
  988    H    SER 131           H        SER 131   7.067  -2.070 -10.315
  989    HA   SER 131           HA       SER 131   4.571  -1.004 -10.476
  990    HB2  SER 131           HB2      SER 131   6.028  -2.568 -12.642
  991    HB3  SER 131           HB3      SER 131   4.633  -1.511 -12.922
  992    HG   SER 131           HG       SER 131   7.138  -0.747 -11.791
  Start of MODEL   10
    1    H    MET   1           H        MET   1   0.779  -0.523  -1.671
    2    HA   MET   1           HA       MET   1   2.208   0.839  -3.841
    3    HB2  MET   1           HB2      MET   1   0.669   2.388  -2.825
    4    HB3  MET   1           HB3      MET   1   1.166   1.937  -1.192
    5    HG2  MET   1           HG2      MET   1   3.267   3.002  -1.394
    6    HG3  MET   1           HG3      MET   1   3.160   3.120  -3.140
    7    HE1  MET   1           HE1      MET   1   2.097   4.983  -4.506
    8    HE2  MET   1           HE2      MET   1   0.497   4.392  -4.005
    9    HE3  MET   1           HE3      MET   1   0.888   6.118  -3.875
   10    H    LYS   2           H        LYS   2   4.398   1.269  -3.493
   11    HA   LYS   2           HA       LYS   2   5.728  -0.146  -1.195
   12    HB2  LYS   2           HB2      LYS   2   6.589   0.150  -4.118
   13    HB3  LYS   2           HB3      LYS   2   7.617  -0.477  -2.839
   14    HG2  LYS   2           HG2      LYS   2   5.030  -1.742  -3.880
   15    HG3  LYS   2           HG3      LYS   2   6.682  -2.274  -4.178
   16    HD2  LYS   2           HD2      LYS   2   6.854  -2.380  -1.586
   17    HD3  LYS   2           HD3      LYS   2   5.092  -2.460  -1.620
   18    HE2  LYS   2           HE2      LYS   2   5.156  -4.508  -2.931
   19    HE3  LYS   2           HE3      LYS   2   6.888  -4.311  -3.243
   20    HZ1  LYS   2           HZ1      LYS   2   7.307  -4.613  -0.877
   21    HZ2  LYS   2           HZ2      LYS   2   5.708  -4.882  -0.593
   22    HZ3  LYS   2           HZ3      LYS   2   6.555  -5.927  -1.517
   23    H    LYS   3           H        LYS   3   7.205   1.105  -0.061
   24    HA   LYS   3           HA       LYS   3   7.328   3.963  -0.886
   25    HB2  LYS   3           HB2      LYS   3   7.488   2.489   1.735
   26    HB3  LYS   3           HB3      LYS   3   8.474   3.931   1.584
   27    HG2  LYS   3           HG2      LYS   3   6.628   5.300   0.849
   28    HG3  LYS   3           HG3      LYS   3   5.518   3.914   0.831
   29    HD2  LYS   3           HD2      LYS   3   5.661   3.693   3.244
   30    HD3  LYS   3           HD3      LYS   3   6.995   4.872   3.316
   31    HE2  LYS   3           HE2      LYS   3   5.517   6.648   2.525
   32    HE3  LYS   3           HE3      LYS   3   4.158   5.513   2.413
   33    HZ1  LYS   3           HZ1      LYS   3   4.228   5.234   4.779
   34    HZ2  LYS   3           HZ2      LYS   3   5.625   6.061   4.930
   35    HZ3  LYS   3           HZ3      LYS   3   4.233   6.848   4.507
   36    H    VAL   4           H        VAL   4   9.159   4.912  -1.620
   37    HA   VAL   4           HA       VAL   4  11.615   3.248  -1.547
   38    HB   VAL   4           HB       VAL   4  10.620   3.539  -3.726
   39   HG11  VAL   4          HG11      VAL   4   9.491   5.675  -3.617
   40   HG12  VAL   4          HG12      VAL   4  11.057   6.515  -3.463
   41   HG13  VAL   4          HG13      VAL   4  10.652   5.661  -4.953
   42   HG21  VAL   4          HG21      VAL   4  12.618   4.232  -4.930
   43   HG22  VAL   4          HG22      VAL   4  13.187   5.201  -3.565
   44   HG23  VAL   4          HG23      VAL   4  13.162   3.438  -3.447
   45    H    MET   5           H        MET   5  13.416   4.041  -0.799
   46    HA   MET   5           HA       MET   5  13.515   6.969  -0.089
   47    HB2  MET   5           HB2      MET   5  13.513   5.603   1.938
   48    HB3  MET   5           HB3      MET   5  14.870   4.658   1.306
   49    HG2  MET   5           HG2      MET   5  15.713   6.294   2.896
   50    HG3  MET   5           HG3      MET   5  16.283   6.655   1.295
   51    HE1  MET   5           HE1      MET   5  14.809   8.110   4.453
   52    HE2  MET   5           HE2      MET   5  13.514   9.205   3.926
   53    HE3  MET   5           HE3      MET   5  13.320   7.447   3.745
   54    H    PHE   6           H        PHE   6  15.293   8.096  -0.767
   55    HA   PHE   6           HA       PHE   6  17.453   6.661  -2.239
   56    HB2  PHE   6           HB2      PHE   6  16.511   9.470  -2.730
   57    HB3  PHE   6           HB3      PHE   6  17.849   8.640  -3.517
   58    HD1  PHE   6           HD2      PHE   6  17.437   6.755  -5.075
   59    HD2  PHE   6           HD1      PHE   6  14.187   9.011  -3.334
   60    HE1  PHE   6           HE2      PHE   6  15.895   5.860  -6.827
   61    HE2  PHE   6           HE1      PHE   6  12.660   8.023  -5.069
   62    HZ   PHE   6           HZ       PHE   6  13.500   6.501  -6.780
   63    H    VAL   7           H        VAL   7  19.573   7.065  -1.289
   64    HA   VAL   7           HA       VAL   7  19.797   9.194   0.792
   65    HB   VAL   7           HB       VAL   7  20.841   6.340   1.098
   66   HG11  VAL   7          HG11      VAL   7  20.447   8.552   3.152
   67   HG12  VAL   7          HG12      VAL   7  21.171   6.947   3.425
   68   HG13  VAL   7          HG13      VAL   7  22.002   8.110   2.406
   69   HG21  VAL   7          HG21      VAL   7  18.491   6.006   1.115
   70   HG22  VAL   7          HG22      VAL   7  19.048   5.955   2.786
   71   HG23  VAL   7          HG23      VAL   7  18.235   7.411   2.180
   72    H    CYS   8           H        CYS   8  21.717  10.402   0.386
   73    HA   CYS   8           HA       CYS   8  24.039   8.900  -0.722
   74    HB2  CYS   8           HB2      CYS   8  24.649  11.145  -1.921
   75    HB3  CYS   8           HB3      CYS   8  23.518  10.045  -2.671
   76    HG   CYS   8           HG       CYS   8  21.373  11.159  -1.931
   77    H    LYS   9           H        LYS   9  26.094  10.316  -0.480
   78    HA   LYS   9           HA       LYS   9  26.439  10.921   2.322
   79    HB2  LYS   9           HB2      LYS   9  28.123  11.113  -0.198
   80    HB3  LYS   9           HB3      LYS   9  28.695  11.848   1.307
   81    HG2  LYS   9           HG2      LYS   9  28.657   9.775   2.487
   82    HG3  LYS   9           HG3      LYS   9  27.789   8.943   1.187
   83    HD2  LYS   9           HD2      LYS   9  29.645   9.042  -0.293
   84    HD3  LYS   9           HD3      LYS   9  30.548  10.156   0.742
   85    HE2  LYS   9           HE2      LYS   9  29.801   7.300   1.538
   86    HE3  LYS   9           HE3      LYS   9  31.331   7.745   0.775
   87    HZ1  LYS   9           HZ1      LYS   9  31.810   9.169   2.675
   88    HZ2  LYS   9           HZ2      LYS   9  30.405   8.757   3.404
   89    HZ3  LYS   9           HZ3      LYS   9  31.564   7.639   3.165
   90    H    ARG  10           H        ARG  10  25.171  12.825  -0.284
   91    HA   ARG  10           HA       ARG  10  24.688  14.952   1.581
   92    HB2  ARG  10           HB2      ARG  10  25.441  16.780   0.047
   93    HB3  ARG  10           HB3      ARG  10  26.707  15.901   0.888
   94    HG2  ARG  10           HG2      ARG  10  27.162  14.599  -1.233
   95    HG3  ARG  10           HG3      ARG  10  26.010  15.647  -2.080
   96    HD2  ARG  10           HD2      ARG  10  27.326  17.627  -1.537
   97    HD3  ARG  10           HD3      ARG  10  28.383  16.679  -0.477
   98    HE   ARG  10           HE       ARG  10  28.204  16.016  -3.384
   99   HH11  ARG  10          HH21      ARG  10  30.246  17.205  -0.699
  100   HH12  ARG  10          HH22      ARG  10  31.709  17.037  -1.596
  101   HH21  ARG  10          HH11      ARG  10  30.011  15.863  -4.508
  102   HH22  ARG  10          HH12      ARG  10  31.604  16.222  -3.859
  103    H    ASN  11           H        ASN  11  22.616  14.570   1.406
  104    HA   ASN  11           HA       ASN  11  20.905  13.647  -0.471
  105    HB2  ASN  11           HB2      ASN  11  20.187  14.280   1.706
  106    HB3  ASN  11           HB3      ASN  11  20.445  15.995   1.376
  107   HD21  ASN  11          HD22      ASN  11  18.547  13.175   0.104
  108   HD22  ASN  11          HD21      ASN  11  17.177  14.133  -0.426
  109    H    SER  12           H        SER  12  22.202  16.942  -0.438
  110    HA   SER  12           HA       SER  12  20.818  18.522  -1.966
  111    HB2  SER  12           HB2      SER  12  23.819  18.081  -2.224
  112    HB3  SER  12           HB3      SER  12  22.952  19.611  -2.450
  113    HG   SER  12           HG       SER  12  22.494  19.694  -0.348
  114    H    CYS  13           H        CYS  13  22.612  15.785  -3.428
  115    HA   CYS  13           HA       CYS  13  21.991  16.933  -6.120
  116    HB2  CYS  13           HB2      CYS  13  24.441  15.339  -5.271
  117    HB3  CYS  13           HB3      CYS  13  24.073  15.942  -6.906
  118    HG   CYS  13           HG       CYS  13  25.920  17.418  -5.747
  119    H    ARG  14           H        ARG  14  23.173  13.595  -5.288
  120    HA   ARG  14           HA       ARG  14  21.746  12.634  -7.503
  121    HB2  ARG  14           HB2      ARG  14  23.002  11.168  -5.160
  122    HB3  ARG  14           HB3      ARG  14  21.872  10.312  -6.199
  123    HG2  ARG  14           HG2      ARG  14  23.922   9.772  -7.048
  124    HG3  ARG  14           HG3      ARG  14  23.142  10.853  -8.195
  125    HD2  ARG  14           HD2      ARG  14  25.530  11.382  -7.974
  126    HD3  ARG  14           HD3      ARG  14  24.465  12.699  -7.468
  127    HE   ARG  14           HE       ARG  14  25.629  12.739  -5.511
  128   HH11  ARG  14          HH12      ARG  14  25.798   9.341  -6.563
  129   HH12  ARG  14          HH11      ARG  14  26.302   8.836  -4.989
  130   HH21  ARG  14          HH21      ARG  14  26.739  12.145  -3.814
  131   HH22  ARG  14          HH22      ARG  14  27.109  10.469  -3.432
  132    H    SER  15           H        SER  15  20.973  12.354  -4.002
  133    HA   SER  15           HA       SER  15  18.694  10.790  -4.095
  134    HB2  SER  15           HB2      SER  15  19.811  12.877  -2.240
  135    HB3  SER  15           HB3      SER  15  18.163  12.400  -1.980
  136    HG   SER  15           HG       SER  15  19.468  11.034  -0.787
  137    H    GLN  16           H        GLN  16  18.913  14.411  -4.087
  138    HA   GLN  16           HA       GLN  16  16.145  14.919  -4.023
  139    HB2  GLN  16           HB2      GLN  16  18.613  16.485  -4.837
  140    HB3  GLN  16           HB3      GLN  16  17.030  17.199  -5.080
  141    HG2  GLN  16           HG2      GLN  16  17.929  16.063  -2.411
  142    HG3  GLN  16           HG3      GLN  16  18.184  17.741  -2.862
  143   HE21  GLN  16          HE22      GLN  16  16.743  16.945  -0.592
  144   HE22  GLN  16          HE21      GLN  16  15.068  17.459  -0.775
  145    H    MET  17           H        MET  17  18.336  14.675  -6.882
  146    HA   MET  17           HA       MET  17  16.244  15.213  -8.792
  147    HB2  MET  17           HB2      MET  17  18.930  13.804  -8.990
  148    HB3  MET  17           HB3      MET  17  17.826  13.996 -10.358
  149    HG2  MET  17           HG2      MET  17  17.782  16.480  -9.869
  150    HG3  MET  17           HG3      MET  17  19.167  16.224  -8.804
  151    HE1  MET  17           HE1      MET  17  21.005  14.162 -10.298
  152    HE2  MET  17           HE2      MET  17  21.980  15.229 -11.332
  153    HE3  MET  17           HE3      MET  17  21.596  15.722  -9.665
  154    H    ALA  18           H        ALA  18  17.592  12.133  -7.456
  155    HA   ALA  18           HA       ALA  18  16.033  10.384  -9.010
  156    HB1  ALA  18           HB1      ALA  18  17.953   9.764  -7.458
  157    HB2  ALA  18           HB2      ALA  18  16.828   9.954  -6.100
  158    HB3  ALA  18           HB3      ALA  18  16.518   8.729  -7.346
  159    H    GLU  19           H        GLU  19  15.251  12.090  -6.000
  160    HA   GLU  19           HA       GLU  19  12.731  10.813  -5.612
  161    HB2  GLU  19           HB2      GLU  19  13.539  11.778  -3.728
  162    HB3  GLU  19           HB3      GLU  19  14.017  13.300  -4.501
  163    HG2  GLU  19           HG2      GLU  19  11.774  14.104  -4.519
  164    HG3  GLU  19           HG3      GLU  19  11.106  12.506  -4.191
  165    H    GLY  20           H        GLY  20  13.508  14.031  -7.061
  166    HA2  GLY  20           HA2      GLY  20  10.863  14.753  -7.731
  167    HA3  GLY  20           HA3      GLY  20  12.326  15.278  -8.578
  168    H    PHE  21           H        PHE  21  13.187  12.667  -9.605
  169    HA   PHE  21           HA       PHE  21  11.361  12.392 -11.824
  170    HB2  PHE  21           HB2      PHE  21  13.497  10.410 -10.989
  171    HB3  PHE  21           HB3      PHE  21  12.701  10.513 -12.552
  172    HD1  PHE  21           HD2      PHE  21  12.891  13.328 -13.396
  173    HD2  PHE  21           HD1      PHE  21  15.729  10.870 -11.300
  174    HE1  PHE  21           HE2      PHE  21  14.680  14.945 -13.916
  175    HE2  PHE  21           HE1      PHE  21  17.557  12.400 -11.981
  176    HZ   PHE  21           HZ       PHE  21  17.022  14.496 -13.205
  177    H    ALA  22           H        ALA  22  11.949  10.370  -8.870
  178    HA   ALA  22           HA       ALA  22  10.197   8.279  -9.561
  179    HB1  ALA  22           HB1      ALA  22  11.896   8.144  -7.777
  180    HB2  ALA  22           HB2      ALA  22  10.977   9.316  -6.825
  181    HB3  ALA  22           HB3      ALA  22  10.288   7.715  -7.154
  182    H    LYS  23           H        LYS  23   9.369  11.290  -7.660
  183    HA   LYS  23           HA       LYS  23   6.657  10.418  -7.387
  184    HB2  LYS  23           HB2      LYS  23   6.271  12.919  -6.843
  185    HB3  LYS  23           HB3      LYS  23   7.161  11.887  -5.745
  186    HG2  LYS  23           HG2      LYS  23   9.177  12.831  -6.137
  187    HG3  LYS  23           HG3      LYS  23   8.734  13.473  -7.742
  188    HD2  LYS  23           HD2      LYS  23   7.465  14.445  -5.145
  189    HD3  LYS  23           HD3      LYS  23   9.023  15.090  -5.710
  190    HE2  LYS  23           HE2      LYS  23   8.059  15.699  -7.873
  191    HE3  LYS  23           HE3      LYS  23   6.474  15.054  -7.391
  192    HZ1  LYS  23           HZ1      LYS  23   6.592  17.467  -7.112
  193    HZ2  LYS  23           HZ2      LYS  23   6.382  16.759  -5.661
  194    HZ3  LYS  23           HZ3      LYS  23   7.851  17.341  -6.082
  195    H    THR  24           H        THR  24   8.321  11.694 -10.175
  196    HA   THR  24           HA       THR  24   5.769  12.401 -11.380
  197    HB   THR  24           HB       THR  24   8.586  12.181 -12.569
  198    HG1  THR  24           HG1      THR  24   8.755  13.733 -11.023
  199   HG21  THR  24          HG21      THR  24   6.087  13.664 -13.452
  200   HG22  THR  24          HG22      THR  24   7.697  13.802 -14.212
  201   HG23  THR  24          HG23      THR  24   6.834  12.254 -14.242
  202    H    LEU  25           H        LEU  25   8.272   9.899 -11.661
  203    HA   LEU  25           HA       LEU  25   7.120   8.524 -13.879
  204    HB2  LEU  25           HB2      LEU  25   9.260   7.785 -11.849
  205    HB3  LEU  25           HB3      LEU  25   8.900   6.834 -13.286
  206    HG   LEU  25           HG       LEU  25   9.878   9.730 -13.374
  207   HD11  LEU  25          HD11      LEU  25  11.326   7.057 -13.503
  208   HD12  LEU  25          HD12      LEU  25  12.035   8.583 -14.090
  209   HD13  LEU  25          HD13      LEU  25  11.580   8.412 -12.392
  210   HD21  LEU  25          HD21      LEU  25  10.372   9.178 -15.746
  211   HD22  LEU  25          HD22      LEU  25   9.600   7.589 -15.538
  212   HD23  LEU  25          HD23      LEU  25   8.643   9.081 -15.403
  213    H    GLY  26           H        GLY  26   7.229   7.892 -10.402
  214    HA2  GLY  26           HA2      GLY  26   5.557   5.459 -10.807
  215    HA3  GLY  26           HA3      GLY  26   6.809   5.675  -9.589
  216    H    ALA  27           H        ALA  27   5.265   8.591  -9.385
  217    HA   ALA  27           HA       ALA  27   3.666   7.982  -7.140
  218    HB1  ALA  27           HB1      ALA  27   2.518  10.186  -7.678
  219    HB2  ALA  27           HB2      ALA  27   4.279  10.279  -7.573
  220    HB3  ALA  27           HB3      ALA  27   3.487  10.265  -9.168
  221    H    GLY  28           H        GLY  28   2.053   6.600  -7.051
  222    HA2  GLY  28           HA2      GLY  28  -0.348   6.249  -8.013
  223    HA3  GLY  28           HA3      GLY  28   0.539   5.880  -9.503
  224    H    LYS  29           H        LYS  29   2.841   4.638  -8.097
  225    HA   LYS  29           HA       LYS  29   1.601   2.269  -6.770
  226    HB2  LYS  29           HB2      LYS  29   3.129   0.779  -7.817
  227    HB3  LYS  29           HB3      LYS  29   2.223   1.629  -9.066
  228    HG2  LYS  29           HG2      LYS  29   4.953   2.674  -8.268
  229    HG3  LYS  29           HG3      LYS  29   4.883   1.198  -9.200
  230    HD2  LYS  29           HD2      LYS  29   3.532   3.783 -10.042
  231    HD3  LYS  29           HD3      LYS  29   5.199   3.355 -10.453
  232    HE2  LYS  29           HE2      LYS  29   4.461   1.259 -11.518
  233    HE3  LYS  29           HE3      LYS  29   2.774   1.649 -11.171
  234    HZ1  LYS  29           HZ1      LYS  29   3.358   2.231 -13.433
  235    HZ2  LYS  29           HZ2      LYS  29   2.993   3.593 -12.622
  236    HZ3  LYS  29           HZ3      LYS  29   4.556   3.219 -12.951
  237    H    ILE  30           H        ILE  30   4.153   4.655  -6.894
  238    HA   ILE  30           HA       ILE  30   5.092   3.573  -4.284
  239    HB   ILE  30           HB       ILE  30   7.318   4.536  -4.787
  240   HG12  ILE  30          HG12      ILE  30   6.601   4.552  -7.720
  241   HG13  ILE  30          HG13      ILE  30   6.428   6.015  -6.740
  242   HG21  ILE  30          HG21      ILE  30   6.894   2.139  -5.001
  243   HG22  ILE  30          HG22      ILE  30   6.463   2.325  -6.706
  244   HG23  ILE  30          HG23      ILE  30   8.110   2.692  -6.149
  245   HD11  ILE  30          HD11      ILE  30   8.775   6.001  -6.164
  246   HD12  ILE  30          HD12      ILE  30   9.054   4.512  -7.134
  247   HD13  ILE  30          HD13      ILE  30   8.562   6.016  -7.921
  248    H    ALA  31           H        ALA  31   5.843   4.961  -2.764
  249    HA   ALA  31           HA       ALA  31   5.264   7.869  -3.093
  250    HB1  ALA  31           HB1      ALA  31   4.978   6.031  -0.666
  251    HB2  ALA  31           HB2      ALA  31   4.974   7.806  -0.574
  252    HB3  ALA  31           HB3      ALA  31   3.695   6.968  -1.469
  253    H    VAL  32           H        VAL  32   7.096   9.068  -2.812
  254    HA   VAL  32           HA       VAL  32   9.593   7.651  -2.125
  255    HB   VAL  32           HB       VAL  32   9.376   8.217  -4.398
  256   HG11  VAL  32          HG11      VAL  32   8.583  11.038  -3.674
  257   HG12  VAL  32          HG12      VAL  32   9.096  10.504  -5.283
  258   HG13  VAL  32          HG13      VAL  32   7.639   9.819  -4.581
  259   HG21  VAL  32          HG21      VAL  32  11.587   8.753  -3.280
  260   HG22  VAL  32          HG22      VAL  32  11.264   9.668  -4.765
  261   HG23  VAL  32          HG23      VAL  32  11.077  10.448  -3.204
  262    H    THR  33           H        THR  33  11.151   8.577  -0.986
  263    HA   THR  33           HA       THR  33  11.004  11.336  -0.102
  264    HB   THR  33           HB       THR  33  11.679   9.024   1.785
  265    HG1  THR  33           HG1      THR  33   9.795   9.317   2.784
  266   HG21  THR  33          HG21      THR  33  11.490  10.779   3.566
  267   HG22  THR  33          HG22      THR  33  12.820  11.068   2.454
  268   HG23  THR  33          HG23      THR  33  11.320  12.013   2.296
  269    H    SER  34           H        SER  34  13.239  12.148   0.001
  270    HA   SER  34           HA       SER  34  15.359  10.117  -0.192
  271    HB2  SER  34           HB2      SER  34  16.552  11.386  -1.689
  272    HB3  SER  34           HB3      SER  34  14.927  11.341  -2.330
  273    HG   SER  34           HG       SER  34  14.571  13.420  -1.683
  274    H    CYS  35           H        CYS  35  17.418  10.833   0.764
  275    HA   CYS  35           HA       CYS  35  17.384  13.101   2.541
  276    HB2  CYS  35           HB2      CYS  35  17.624  11.825   4.614
  277    HB3  CYS  35           HB3      CYS  35  16.061  11.490   3.875
  278    HG   CYS  35           HG       CYS  35  16.745   9.267   2.704
  279    H    GLY  36           H        GLY  36  19.614  12.075   4.106
  280    HA2  GLY  36           HA2      GLY  36  21.441  10.707   2.362
  281    HA3  GLY  36           HA3      GLY  36  21.914  12.392   2.681
  282    H    LEU  37           H        LEU  37  23.473  10.278   3.552
  283    HA   LEU  37           HA       LEU  37  23.120   9.443   6.248
  284    HB2  LEU  37           HB2      LEU  37  25.600  10.045   4.596
  285    HB3  LEU  37           HB3      LEU  37  25.699   9.451   6.248
  286    HG   LEU  37           HG       LEU  37  24.249   7.953   4.024
  287   HD11  LEU  37          HD11      LEU  37  26.652   8.139   3.523
  288   HD12  LEU  37          HD12      LEU  37  27.051   7.517   5.141
  289   HD13  LEU  37          HD13      LEU  37  26.220   6.481   3.958
  290   HD21  LEU  37          HD21      LEU  37  24.509   6.012   5.619
  291   HD22  LEU  37          HD22      LEU  37  25.096   7.145   6.847
  292   HD23  LEU  37          HD23      LEU  37  23.435   7.272   6.226
  293    H    GLU  38           H        GLU  38  24.138  12.451   4.806
  294    HA   GLU  38           HA       GLU  38  23.538  13.935   7.224
  295    HB2  GLU  38           HB2      GLU  38  26.161  14.256   5.657
  296    HB3  GLU  38           HB3      GLU  38  25.503  15.456   6.775
  297    HG2  GLU  38           HG2      GLU  38  25.634  13.772   8.624
  298    HG3  GLU  38           HG3      GLU  38  26.401  12.637   7.506
  299    H    SER  39           H        SER  39  22.554  15.912   6.487
  300    HA   SER  39           HA       SER  39  22.251  16.145   3.525
  301    HB2  SER  39           HB2      SER  39  20.151  16.407   5.672
  302    HB3  SER  39           HB3      SER  39  19.939  16.922   3.984
  303    HG   SER  39           HG       SER  39  19.242  14.764   4.301
  304    H    SER  40           H        SER  40  21.993  18.149   2.638
  305    HA   SER  40           HA       SER  40  22.352  20.631   4.147
  306    HB2  SER  40           HB2      SER  40  24.166  19.750   1.843
  307    HB3  SER  40           HB3      SER  40  24.193  21.326   2.650
  308    HG   SER  40           HG       SER  40  25.822  19.906   3.419
  309    H    ARG  41           H        ARG  41  21.969  22.476   2.395
  310    HA   ARG  41           HA       ARG  41  19.433  22.059   1.391
  311    HB2  ARG  41           HB2      ARG  41  19.559  24.200   0.360
  312    HB3  ARG  41           HB3      ARG  41  20.440  24.290   1.879
  313    HG2  ARG  41           HG2      ARG  41  22.587  24.266   0.711
  314    HG3  ARG  41           HG3      ARG  41  21.804  23.906  -0.837
  315    HD2  ARG  41           HD2      ARG  41  20.547  26.069  -0.683
  316    HD3  ARG  41           HD3      ARG  41  21.442  26.444   0.789
  317    HE   ARG  41           HE       ARG  41  23.311  26.947  -0.429
  318   HH11  ARG  41          HH11      ARG  41  21.120  25.211  -2.675
  319   HH12  ARG  41          HH12      ARG  41  21.753  25.992  -4.068
  320   HH21  ARG  41          HH21      ARG  41  24.274  27.776  -2.321
  321   HH22  ARG  41          HH22      ARG  41  23.686  27.352  -3.880
  322    H    VAL  42           H        VAL  42  18.604  22.267  -0.794
  323    HA   VAL  42           HA       VAL  42  19.622  20.215  -2.509
  324    HB   VAL  42           HB       VAL  42  17.576  22.378  -3.160
  325   HG11  VAL  42          HG11      VAL  42  18.377  21.170  -5.144
  326   HG12  VAL  42          HG12      VAL  42  18.096  19.611  -4.352
  327   HG13  VAL  42          HG13      VAL  42  16.725  20.669  -4.760
  328   HG21  VAL  42          HG21      VAL  42  15.903  20.569  -2.508
  329   HG22  VAL  42          HG22      VAL  42  17.259  19.684  -1.767
  330   HG23  VAL  42          HG23      VAL  42  16.795  21.268  -1.153
  331    H    HIS  43           H        HIS  43  20.940  20.365  -4.329
  332    HA   HIS  43           HA       HIS  43  22.584  22.723  -4.559
  333    HB2  HIS  43           HB2      HIS  43  23.263  20.270  -4.765
  334    HB3  HIS  43           HB3      HIS  43  22.449  20.240  -6.327
  335    HD1  HIS  43           HD1      HIS  43  23.878  21.244  -8.333
  336    HD2  HIS  43           HD2      HIS  43  25.470  21.892  -4.500
  337    HE1  HIS  43           HE1      HIS  43  26.182  22.287  -8.677
  338    HA   PRO  44           HA       PRO  44  19.838  24.661  -7.334
  339    HB2  PRO  44           HB2      PRO  44  21.325  26.579  -8.597
  340    HB3  PRO  44           HB3      PRO  44  21.017  26.605  -6.835
  341    HG2  PRO  44           HG2      PRO  44  23.489  25.640  -8.286
  342    HG3  PRO  44           HG3      PRO  44  23.386  26.643  -6.810
  343    HD2  PRO  44           HD2      PRO  44  23.795  23.900  -6.847
  344    HD3  PRO  44           HD3      PRO  44  23.054  24.760  -5.461
  345    H    THR  45           H        THR  45  22.831  23.703  -9.202
  346    HA   THR  45           HA       THR  45  21.476  23.833 -11.641
  347    HB   THR  45           HB       THR  45  23.786  22.035 -10.804
  348    HG1  THR  45           HG1      THR  45  25.113  23.823 -11.190
  349   HG21  THR  45          HG21      THR  45  23.199  21.585 -13.123
  350   HG22  THR  45          HG22      THR  45  23.250  23.325 -13.511
  351   HG23  THR  45          HG23      THR  45  24.735  22.443 -13.052
  352    H    ALA  46           H        ALA  46  21.101  21.492  -9.164
  353    HA   ALA  46           HA       ALA  46  20.215  19.169 -10.565
  354    HB1  ALA  46           HB1      ALA  46  19.154  18.655  -8.494
  355    HB2  ALA  46           HB2      ALA  46  20.581  19.610  -8.019
  356    HB3  ALA  46           HB3      ALA  46  18.932  20.362  -8.077
  357    H    ILE  47           H        ILE  47  18.659  22.320  -9.706
  358    HA   ILE  47           HA       ILE  47  16.035  21.638 -10.267
  359    HB   ILE  47           HB       ILE  47  17.556  24.267 -10.533
  360   HG12  ILE  47          HG12      ILE  47  15.786  23.435  -8.198
  361   HG13  ILE  47          HG13      ILE  47  17.500  23.059  -8.206
  362   HG21  ILE  47          HG21      ILE  47  15.395  25.387 -10.326
  363   HG22  ILE  47          HG22      ILE  47  15.503  24.407 -11.776
  364   HG23  ILE  47          HG23      ILE  47  14.586  23.798 -10.384
  365   HD11  ILE  47          HD11      ILE  47  18.074  25.441  -8.478
  366   HD12  ILE  47          HD12      ILE  47  16.356  25.867  -8.344
  367   HD13  ILE  47          HD13      ILE  47  17.162  25.095  -6.974
  368    H    ALA  48           H        ALA  48  18.675  22.995 -12.271
  369    HA   ALA  48           HA       ALA  48  17.177  23.456 -14.569
  370    HB1  ALA  48           HB1      ALA  48  19.349  23.687 -15.705
  371    HB2  ALA  48           HB2      ALA  48  19.378  24.491 -14.120
  372    HB3  ALA  48           HB3      ALA  48  20.169  22.913 -14.334
  373    H    MET  49           H        MET  49  18.940  20.551 -13.535
  374    HA   MET  49           HA       MET  49  18.654  19.057 -15.976
  375    HB2  MET  49           HB2      MET  49  18.974  18.286 -13.047
  376    HB3  MET  49           HB3      MET  49  18.708  17.058 -14.271
  377    HG2  MET  49           HG2      MET  49  20.977  19.039 -14.207
  378    HG3  MET  49           HG3      MET  49  21.037  17.303 -13.859
  379    HE1  MET  49           HE1      MET  49  21.380  20.074 -16.235
  380    HE2  MET  49           HE2      MET  49  22.825  19.073 -16.589
  381    HE3  MET  49           HE3      MET  49  21.619  19.341 -17.835
  382    H    MET  50           H        MET  50  16.592  19.348 -13.108
  383    HA   MET  50           HA       MET  50  14.670  17.428 -14.102
  384    HB2  MET  50           HB2      MET  50  14.608  19.431 -11.800
  385    HB3  MET  50           HB3      MET  50  13.350  18.236 -12.142
  386    HG2  MET  50           HG2      MET  50  15.597  16.639 -12.313
  387    HG3  MET  50           HG3      MET  50  16.178  17.828 -11.191
  388    HE1  MET  50           HE1      MET  50  12.169  15.935 -10.809
  389    HE2  MET  50           HE2      MET  50  13.199  15.966 -12.264
  390    HE3  MET  50           HE3      MET  50  13.296  14.601 -11.142
  391    H    GLU  51           H        GLU  51  15.018  20.977 -14.250
  392    HA   GLU  51           HA       GLU  51  12.557  21.472 -15.574
  393    HB2  GLU  51           HB2      GLU  51  15.265  22.818 -15.506
  394    HB3  GLU  51           HB3      GLU  51  13.998  23.416 -16.584
  395    HG2  GLU  51           HG2      GLU  51  12.461  23.605 -14.600
  396    HG3  GLU  51           HG3      GLU  51  13.819  23.214 -13.547
  397    H    GLU  52           H        GLU  52  15.602  20.073 -16.803
  398    HA   GLU  52           HA       GLU  52  14.873  20.319 -19.548
  399    HB2  GLU  52           HB2      GLU  52  16.583  18.060 -18.450
  400    HB3  GLU  52           HB3      GLU  52  16.484  18.653 -20.098
  401    HG2  GLU  52           HG2      GLU  52  17.244  20.960 -18.914
  402    HG3  GLU  52           HG3      GLU  52  17.908  19.811 -17.750
  403    H    VAL  53           H        VAL  53  14.100  17.952 -17.020
  404    HA   VAL  53           HA       VAL  53  12.674  16.203 -18.913
  405    HB   VAL  53           HB       VAL  53  12.584  16.200 -15.874
  406   HG11  VAL  53          HG11      VAL  53  10.770  14.840 -16.855
  407   HG12  VAL  53          HG12      VAL  53  11.933  14.027 -17.925
  408   HG13  VAL  53          HG13      VAL  53  12.003  13.786 -16.166
  409   HG21  VAL  53          HG21      VAL  53  14.454  14.805 -17.831
  410   HG22  VAL  53          HG22      VAL  53  14.882  15.931 -16.520
  411   HG23  VAL  53          HG23      VAL  53  14.271  14.317 -16.136
  412    H    GLY  54           H        GLY  54  11.902  19.018 -16.975
  413    HA2  GLY  54           HA2      GLY  54   9.971  20.368 -17.400
  414    HA3  GLY  54           HA3      GLY  54   9.050  18.934 -17.875
  415    H    ILE  55           H        ILE  55  11.204  19.053 -15.061
  416    HA   ILE  55           HA       ILE  55   8.897  19.102 -13.171
  417    HB   ILE  55           HB       ILE  55  11.362  17.368 -12.888
  418   HG12  ILE  55          HG12      ILE  55   8.666  16.104 -13.439
  419   HG13  ILE  55          HG13      ILE  55   9.637  16.626 -14.804
  420   HG21  ILE  55          HG21      ILE  55   8.777  17.580 -11.289
  421   HG22  ILE  55          HG22      ILE  55   9.790  16.141 -11.195
  422   HG23  ILE  55          HG23      ILE  55  10.458  17.673 -10.695
  423   HD11  ILE  55          HD11      ILE  55  10.148  14.331 -14.367
  424   HD12  ILE  55          HD12      ILE  55  11.558  15.363 -14.039
  425   HD13  ILE  55          HD13      ILE  55  10.610  14.690 -12.691
  426    H    ASP  56           H        ASP  56  10.231  19.438 -10.807
  427    HA   ASP  56           HA       ASP  56  12.320  21.504 -11.087
  428    HB2  ASP  56           HB2      ASP  56  10.297  22.840 -11.218
  429    HB3  ASP  56           HB3      ASP  56   9.542  21.918  -9.907
  430    H    ILE  57           H        ILE  57  13.349  21.876  -9.029
  431    HA   ILE  57           HA       ILE  57  12.503  20.165  -6.790
  432    HB   ILE  57           HB       ILE  57  15.387  20.599  -6.833
  433   HG12  ILE  57          HG12      ILE  57  14.262  18.588  -8.790
  434   HG13  ILE  57          HG13      ILE  57  15.223  20.000  -9.212
  435   HG21  ILE  57          HG21      ILE  57  15.333  18.330  -5.869
  436   HG22  ILE  57          HG22      ILE  57  14.147  19.350  -5.117
  437   HG23  ILE  57          HG23      ILE  57  13.638  18.159  -6.359
  438   HD11  ILE  57          HD11      ILE  57  16.830  18.333  -9.204
  439   HD12  ILE  57          HD12      ILE  57  17.006  19.017  -7.578
  440   HD13  ILE  57          HD13      ILE  57  16.123  17.494  -7.809
  441    H    SER  58           H        SER  58  13.564  23.298  -7.882
  442    HA   SER  58           HA       SER  58  14.393  24.652  -5.681
  443    HB2  SER  58           HB2      SER  58  12.070  25.765  -7.261
  444    HB3  SER  58           HB3      SER  58  13.515  26.588  -6.652
  445    HG   SER  58           HG       SER  58  13.144  24.862  -8.851
  446    H    GLY  59           H        GLY  59  11.039  23.524  -6.294
  447    HA2  GLY  59           HA2      GLY  59   9.825  24.978  -4.146
  448    HA3  GLY  59           HA3      GLY  59   9.097  23.721  -5.153
  449    H    GLN  60           H        GLN  60  11.737  22.124  -3.923
  450    HA   GLN  60           HA       GLN  60  10.428  21.405  -1.393
  451    HB2  GLN  60           HB2      GLN  60  10.794  19.084  -1.811
  452    HB3  GLN  60           HB3      GLN  60   9.915  19.798  -3.175
  453    HG2  GLN  60           HG2      GLN  60  11.932  19.792  -4.547
  454    HG3  GLN  60           HG3      GLN  60  12.897  19.213  -3.188
  455   HE21  GLN  60          HE22      GLN  60  13.580  17.256  -4.030
  456   HE22  GLN  60          HE21      GLN  60  12.487  15.967  -4.507
  457    H    THR  61           H        THR  61  11.960  20.203   0.089
  458    HA   THR  61           HA       THR  61  14.629  21.504   0.017
  459    HB   THR  61           HB       THR  61  14.226  21.686   2.522
  460    HG1  THR  61           HG1      THR  61  12.519  20.308   2.866
  461   HG21  THR  61          HG21      THR  61  12.231  23.124   0.727
  462   HG22  THR  61          HG22      THR  61  12.817  23.668   2.319
  463   HG23  THR  61          HG23      THR  61  13.939  23.581   0.948
  464    H    SER  62           H        SER  62  16.153  20.580   1.629
  465    HA   SER  62           HA       SER  62  16.415  17.701   1.268
  466    HB2  SER  62           HB2      SER  62  18.148  19.699   2.766
  467    HB3  SER  62           HB3      SER  62  18.612  18.074   2.224
  468    HG   SER  62           HG       SER  62  19.382  19.523   0.824
  469    H    ASP  63           H        ASP  63  17.015  16.295   3.110
  470    HA   ASP  63           HA       ASP  63  16.066  17.065   5.780
  471    HB2  ASP  63           HB2      ASP  63  14.057  16.262   4.250
  472    HB3  ASP  63           HB3      ASP  63  14.751  14.658   4.481
  473    HA   PRO  64           HA       PRO  64  19.321  13.975   6.343
  474    HB2  PRO  64           HB2      PRO  64  19.449  13.769   9.037
  475    HB3  PRO  64           HB3      PRO  64  19.867  15.289   8.192
  476    HG2  PRO  64           HG2      PRO  64  17.250  14.567   9.547
  477    HG3  PRO  64           HG3      PRO  64  18.203  16.074   9.714
  478    HD2  PRO  64           HD2      PRO  64  16.061  15.816   8.001
  479    HD3  PRO  64           HD3      PRO  64  17.451  16.891   7.653
  480    H    ILE  65           H        ILE  65  19.580  11.723   6.686
  481    HA   ILE  65           HA       ILE  65  17.324  10.043   6.583
  482    HB   ILE  65           HB       ILE  65  19.593   9.493   5.837
  483   HG12  ILE  65          HG12      ILE  65  18.733   7.361   7.813
  484   HG13  ILE  65          HG13      ILE  65  17.717   7.797   6.430
  485   HG21  ILE  65          HG21      ILE  65  20.923  10.324   7.796
  486   HG22  ILE  65          HG22      ILE  65  20.303   8.973   8.767
  487   HG23  ILE  65          HG23      ILE  65  21.325   8.664   7.363
  488   HD11  ILE  65          HD11      ILE  65  19.184   5.885   5.900
  489   HD12  ILE  65          HD12      ILE  65  19.451   7.284   4.869
  490   HD13  ILE  65          HD13      ILE  65  20.613   6.890   6.166
  491    H    GLU  66           H        GLU  66  19.067  11.285   9.345
  492    HA   GLU  66           HA       GLU  66  18.317   9.636  11.406
  493    HB2  GLU  66           HB2      GLU  66  18.533  12.671  11.587
  494    HB3  GLU  66           HB3      GLU  66  18.893  11.482  12.841
  495    HG2  GLU  66           HG2      GLU  66  20.779  10.641  11.297
  496    HG3  GLU  66           HG3      GLU  66  20.504  12.079  10.307
  497    H    ASN  67           H        ASN  67  16.255  11.817   9.642
  498    HA   ASN  67           HA       ASN  67  14.313  12.241  11.771
  499    HB2  ASN  67           HB2      ASN  67  14.936  13.924  10.007
  500    HB3  ASN  67           HB3      ASN  67  14.207  12.857   8.807
  501   HD21  ASN  67          HD22      ASN  67  12.698  14.397   8.183
  502   HD22  ASN  67          HD21      ASN  67  11.317  14.855   9.187
  503    H    PHE  68           H        PHE  68  14.845   9.525   9.621
  504    HA   PHE  68           HA       PHE  68  11.995   8.727   9.932
  505    HB2  PHE  68           HB2      PHE  68  13.893   8.427   7.580
  506    HB3  PHE  68           HB3      PHE  68  12.371   7.551   7.744
  507    HD1  PHE  68           HD1      PHE  68  10.213   8.628   7.559
  508    HD2  PHE  68           HD2      PHE  68  13.899  10.789   6.952
  509    HE1  PHE  68           HE1      PHE  68   8.942  10.491   6.501
  510    HE2  PHE  68           HE2      PHE  68  12.628  12.608   5.819
  511    HZ   PHE  68           HZ       PHE  68  10.156  12.482   5.629
  512    H    ASN  69           H        ASN  69  11.954   6.313   9.236
  513    HA   ASN  69           HA       ASN  69  14.159   4.690  10.344
  514    HB2  ASN  69           HB2      ASN  69  12.287   3.041  11.020
  515    HB3  ASN  69           HB3      ASN  69  12.659   4.383  12.099
  516   HD21  ASN  69          HD22      ASN  69  10.565   4.552   9.111
  517   HD22  ASN  69          HD21      ASN  69   9.114   4.924  10.018
  518    H    ALA  70           H        ALA  70  14.491   2.846   9.176
  519    HA   ALA  70           HA       ALA  70  13.804   2.942   6.359
  520    HB1  ALA  70           HB1      ALA  70  15.989   2.088   7.332
  521    HB2  ALA  70           HB2      ALA  70  15.105   0.683   7.948
  522    HB3  ALA  70           HB3      ALA  70  15.209   0.973   6.198
  523    H    ASP  71           H        ASP  71  12.401   1.371   9.156
  524    HA   ASP  71           HA       ASP  71  11.241  -0.898   7.987
  525    HB2  ASP  71           HB2      ASP  71  11.384  -0.496  10.402
  526    HB3  ASP  71           HB3      ASP  71  10.256   0.856  10.269
  527    H    ASP  72           H        ASP  72  10.337   2.464   7.566
  528    HA   ASP  72           HA       ASP  72   7.583   1.889   6.831
  529    HB2  ASP  72           HB2      ASP  72   8.248   3.943   8.069
  530    HB3  ASP  72           HB3      ASP  72   9.186   4.465   6.665
  531    H    TYR  73           H        TYR  73  10.643   1.688   5.290
  532    HA   TYR  73           HA       TYR  73   9.603   2.427   2.675
  533    HB2  TYR  73           HB2      TYR  73  12.401   2.432   3.823
  534    HB3  TYR  73           HB3      TYR  73  12.024   2.748   2.129
  535    HD1  TYR  73           HD2      TYR  73  10.676   4.751   1.481
  536    HD2  TYR  73           HD1      TYR  73  12.002   4.142   5.528
  537    HE1  TYR  73           HE2      TYR  73  10.115   7.090   2.007
  538    HE2  TYR  73           HE1      TYR  73  11.499   6.501   6.089
  539    HH   TYR  73           HH       TYR  73  10.603   8.542   5.239
  540    H    ASP  74           H        ASP  74   9.511   0.919   1.080
  541    HA   ASP  74           HA       ASP  74  10.014  -1.890   1.753
  542    HB2  ASP  74           HB2      ASP  74   8.052  -1.306   0.391
  543    HB3  ASP  74           HB3      ASP  74   9.081  -0.526  -0.804
  544    H    VAL  75           H        VAL  75  11.285   0.705  -0.342
  545    HA   VAL  75           HA       VAL  75  13.641  -0.998  -0.969
  546    HB   VAL  75           HB       VAL  75  12.300  -1.099  -2.791
  547   HG11  VAL  75          HG11      VAL  75  11.777   1.793  -2.982
  548   HG12  VAL  75          HG12      VAL  75  11.233   0.551  -4.106
  549   HG13  VAL  75          HG13      VAL  75  10.606   0.567  -2.459
  550   HG21  VAL  75          HG21      VAL  75  14.718  -0.453  -3.243
  551   HG22  VAL  75          HG22      VAL  75  13.591  -0.223  -4.587
  552   HG23  VAL  75          HG23      VAL  75  14.120   1.169  -3.615
  553    H    VAL  76           H        VAL  76  15.579  -0.204  -0.717
  554    HA   VAL  76           HA       VAL  76  15.838   2.676  -0.044
  555    HB   VAL  76           HB       VAL  76  17.607   1.740   1.531
  556   HG11  VAL  76          HG11      VAL  76  15.511   2.813   2.206
  557   HG12  VAL  76          HG12      VAL  76  14.647   1.271   2.092
  558   HG13  VAL  76          HG13      VAL  76  15.918   1.492   3.317
  559   HG21  VAL  76          HG21      VAL  76  17.566  -0.644   0.784
  560   HG22  VAL  76          HG22      VAL  76  17.169  -0.486   2.505
  561   HG23  VAL  76          HG23      VAL  76  15.891  -0.768   1.325
  562    H    ILE  77           H        ILE  77  16.829   3.654  -1.553
  563    HA   ILE  77           HA       ILE  77  18.938   2.315  -3.132
  564    HB   ILE  77           HB       ILE  77  17.220   4.757  -3.695
  565   HG12  ILE  77          HG12      ILE  77  15.857   2.805  -3.946
  566   HG13  ILE  77          HG13      ILE  77  16.310   3.390  -5.542
  567   HG21  ILE  77          HG21      ILE  77  18.254   4.673  -5.948
  568   HG22  ILE  77          HG22      ILE  77  19.410   5.066  -4.687
  569   HG23  ILE  77          HG23      ILE  77  19.394   3.433  -5.361
  570   HD11  ILE  77          HD11      ILE  77  17.594   1.004  -4.130
  571   HD12  ILE  77          HD12      ILE  77  16.397   0.933  -5.440
  572   HD13  ILE  77          HD13      ILE  77  18.007   1.609  -5.745
  573    H    SER  78           H        SER  78  20.765   2.574  -2.174
  574    HA   SER  78           HA       SER  78  21.534   5.104  -0.863
  575    HB2  SER  78           HB2      SER  78  22.301   2.921  -0.030
  576    HB3  SER  78           HB3      SER  78  23.055   2.608  -1.612
  577    HG   SER  78           HG       SER  78  24.616   3.930  -1.188
  578    H    LEU  79           H        LEU  79  23.187   6.340  -1.876
  579    HA   LEU  79           HA       LEU  79  24.194   5.751  -4.514
  580    HB2  LEU  79           HB2      LEU  79  23.254   8.373  -4.982
  581    HB3  LEU  79           HB3      LEU  79  22.841   6.909  -5.762
  582    HG   LEU  79           HG       LEU  79  20.930   6.772  -3.798
  583   HD11  LEU  79          HD11      LEU  79  21.816   8.841  -2.775
  584   HD12  LEU  79          HD12      LEU  79  21.287   9.739  -4.185
  585   HD13  LEU  79          HD13      LEU  79  20.107   8.870  -3.196
  586   HD21  LEU  79          HD21      LEU  79  20.435   6.679  -6.143
  587   HD22  LEU  79          HD22      LEU  79  19.418   7.917  -5.395
  588   HD23  LEU  79          HD23      LEU  79  20.821   8.390  -6.373
  589    H    CYS  80           H        CYS  80  25.614   5.584  -2.342
  590    HA   CYS  80           HA       CYS  80  26.237   7.942  -0.916
  591    HB2  CYS  80           HB2      CYS  80  28.206   6.705  -0.088
  592    HB3  CYS  80           HB3      CYS  80  26.735   5.724  -0.046
  593    HG   CYS  80           HG       CYS  80  27.150   4.334  -2.154
  594    H    GLY  81           H        GLY  81  28.095   6.477  -3.594
  595    HA2  GLY  81           HA2      GLY  81  28.741   8.349  -5.323
  596    HA3  GLY  81           HA3      GLY  81  29.645   8.985  -3.939
  597    H    CYS  82           H        CYS  82  30.278   6.257  -2.900
  598    HA   CYS  82           HA       CYS  82  32.389   5.517  -4.863
  599    HB2  CYS  82           HB2      CYS  82  32.746   5.883  -1.852
  600    HB3  CYS  82           HB3      CYS  82  34.009   5.506  -3.025
  601    HG   CYS  82           HG       CYS  82  33.757   7.709  -4.434
  602    H    GLY  83           H        GLY  83  29.895   4.108  -4.273
  603    HA2  GLY  83           HA2      GLY  83  29.234   1.936  -4.257
  604    HA3  GLY  83           HA3      GLY  83  30.938   1.454  -4.385
  605    H    VAL  84           H        VAL  84  30.023   3.360  -1.672
  606    HA   VAL  84           HA       VAL  84  30.409   1.282   0.325
  607    HB   VAL  84           HB       VAL  84  29.294   3.978   0.908
  608   HG11  VAL  84          HG11      VAL  84  31.349   2.231   2.331
  609   HG12  VAL  84          HG12      VAL  84  30.788   3.815   2.902
  610   HG13  VAL  84          HG13      VAL  84  29.658   2.480   2.822
  611   HG21  VAL  84          HG21      VAL  84  31.097   4.653  -0.582
  612   HG22  VAL  84          HG22      VAL  84  31.612   4.948   1.069
  613   HG23  VAL  84          HG23      VAL  84  32.225   3.523   0.206
  614    H    ASN  85           H        ASN  85  28.579   1.314   2.083
  615    HA   ASN  85           HA       ASN  85  25.898   1.576   0.983
  616    HB2  ASN  85           HB2      ASN  85  25.119  -0.587   1.705
  617    HB3  ASN  85           HB3      ASN  85  26.433  -0.825   0.564
  618   HD21  ASN  85          HD22      ASN  85  25.778  -0.569   4.100
  619   HD22  ASN  85          HD21      ASN  85  27.030  -1.700   4.575
  620    H    LEU  86           H        LEU  86  24.336   1.643   2.572
  621    HA   LEU  86           HA       LEU  86  24.935   3.385   4.763
  622    HB2  LEU  86           HB2      LEU  86  22.462   1.704   4.287
  623    HB3  LEU  86           HB3      LEU  86  22.587   3.207   5.203
  624    HG   LEU  86           HG       LEU  86  22.854   2.843   2.193
  625   HD11  LEU  86          HD11      LEU  86  20.569   2.779   3.016
  626   HD12  LEU  86          HD12      LEU  86  20.787   4.359   3.813
  627   HD13  LEU  86          HD13      LEU  86  20.859   4.212   2.038
  628   HD21  LEU  86          HD21      LEU  86  24.438   4.580   2.795
  629   HD22  LEU  86          HD22      LEU  86  23.045   5.294   2.001
  630   HD23  LEU  86          HD23      LEU  86  23.195   5.420   3.769
  631    HA   PRO  87           HA       PRO  87  26.190   0.080   7.605
  632    HB2  PRO  87           HB2      PRO  87  25.952   2.358   9.559
  633    HB3  PRO  87           HB3      PRO  87  27.235   1.125   9.406
  634    HG2  PRO  87           HG2      PRO  87  27.618   3.653   8.474
  635    HG3  PRO  87           HG3      PRO  87  28.198   2.237   7.539
  636    HD2  PRO  87           HD2      PRO  87  25.693   3.872   7.105
  637    HD3  PRO  87           HD3      PRO  87  26.867   3.259   5.909
  638    HA   PRO  88           HA       PRO  88  22.377   0.715  10.381
  639    HB2  PRO  88           HB2      PRO  88  20.426   2.567   9.924
  640    HB3  PRO  88           HB3      PRO  88  21.977   2.958  10.703
  641    HG2  PRO  88           HG2      PRO  88  21.322   3.274   7.739
  642    HG3  PRO  88           HG3      PRO  88  21.946   4.518   8.874
  643    HD2  PRO  88           HD2      PRO  88  23.504   3.105   7.248
  644    HD3  PRO  88           HD3      PRO  88  24.032   3.477   8.921
  645    H    GLU  89           H        GLU  89  19.866   0.424  10.263
  646    HA   GLU  89           HA       GLU  89  19.098  -1.821   8.934
  647    HB2  GLU  89           HB2      GLU  89  16.764  -1.035   9.490
  648    HB3  GLU  89           HB3      GLU  89  17.921  -1.043  10.829
  649    HG2  GLU  89           HG2      GLU  89  18.168   1.383  10.710
  650    HG3  GLU  89           HG3      GLU  89  17.215   1.454   9.234
  651    H    TRP  90           H        TRP  90  19.260   1.234   7.498
  652    HA   TRP  90           HA       TRP  90  17.445   0.941   5.321
  653    HB2  TRP  90           HB2      TRP  90  19.955   2.623   5.573
  654    HB3  TRP  90           HB3      TRP  90  18.658   2.851   4.400
  655    HD1  TRP  90           HD1      TRP  90  19.345   3.297   8.151
  656    HE1  TRP  90           HE1      TRP  90  17.918   5.133   9.041
  657    HE3  TRP  90           HE3      TRP  90  16.245   3.756   4.150
  658    HZ2  TRP  90           HZ2      TRP  90  15.442   6.510   8.220
  659    HZ3  TRP  90           HZ3      TRP  90  14.240   5.205   4.292
  660    HH2  TRP  90           HH2      TRP  90  13.844   6.588   6.289
  661    H    VAL  91           H        VAL  91  19.984  -1.044   5.977
  662    HA   VAL  91           HA       VAL  91  20.354  -1.610   3.108
  663    HB   VAL  91           HB       VAL  91  22.337  -0.831   4.473
  664   HG11  VAL  91          HG11      VAL  91  23.559  -2.373   5.836
  665   HG12  VAL  91          HG12      VAL  91  21.912  -2.330   6.474
  666   HG13  VAL  91          HG13      VAL  91  22.440  -3.700   5.476
  667   HG21  VAL  91          HG21      VAL  91  22.656  -3.446   2.969
  668   HG22  VAL  91          HG22      VAL  91  22.606  -1.819   2.264
  669   HG23  VAL  91          HG23      VAL  91  23.931  -2.275   3.342
  670    H    THR  92           H        THR  92  18.488  -2.613   5.640
  671    HA   THR  92           HA       THR  92  18.546  -5.442   4.775
  672    HB   THR  92           HB       THR  92  18.029  -5.955   7.210
  673    HG1  THR  92           HG1      THR  92  17.425  -3.933   7.949
  674   HG21  THR  92          HG21      THR  92  20.340  -6.168   6.230
  675   HG22  THR  92          HG22      THR  92  20.685  -4.525   6.822
  676   HG23  THR  92          HG23      THR  92  20.308  -5.823   7.968
  677    H    GLN  93           H        GLN  93  16.875  -3.331   3.738
  678    HA   GLN  93           HA       GLN  93  14.166  -4.267   4.573
  679    HB2  GLN  93           HB2      GLN  93  14.796  -2.009   2.665
  680    HB3  GLN  93           HB3      GLN  93  13.236  -2.438   3.348
  681    HG2  GLN  93           HG2      GLN  93  15.606  -1.230   4.807
  682    HG3  GLN  93           HG3      GLN  93  14.047  -0.486   4.493
  683   HE21  GLN  93          HE22      GLN  93  15.806  -1.743   6.961
  684   HE22  GLN  93          HE21      GLN  93  14.521  -2.403   7.959
  685    H    GLU  94           H        GLU  94  12.803  -4.103   2.187
  686    HA   GLU  94           HA       GLU  94  13.410  -6.699   1.251
  687    HB2  GLU  94           HB2      GLU  94  11.510  -4.646   0.078
  688    HB3  GLU  94           HB3      GLU  94  11.506  -6.367  -0.281
  689    HG2  GLU  94           HG2      GLU  94  10.893  -5.095   2.423
  690    HG3  GLU  94           HG3      GLU  94   9.735  -5.819   1.317
  691    H    ILE  95           H        ILE  95  14.188  -3.538  -0.180
  692    HA   ILE  95           HA       ILE  95  15.719  -4.971  -2.326
  693    HB   ILE  95           HB       ILE  95  13.851  -2.640  -2.605
  694   HG12  ILE  95          HG12      ILE  95  13.789  -5.529  -3.550
  695   HG13  ILE  95          HG13      ILE  95  12.579  -4.650  -2.606
  696   HG21  ILE  95          HG21      ILE  95  15.676  -3.933  -4.715
  697   HG22  ILE  95          HG22      ILE  95  14.570  -2.570  -4.994
  698   HG23  ILE  95          HG23      ILE  95  15.973  -2.349  -3.974
  699   HD11  ILE  95          HD11      ILE  95  11.717  -4.962  -4.798
  700   HD12  ILE  95          HD12      ILE  95  12.144  -3.236  -4.650
  701   HD13  ILE  95          HD13      ILE  95  13.211  -4.362  -5.540
  702    H    PHE  96           H        PHE  96  17.838  -4.073  -2.448
  703    HA   PHE  96           HA       PHE  96  18.288  -1.392  -1.450
  704    HB2  PHE  96           HB2      PHE  96  18.925  -2.712   0.505
  705    HB3  PHE  96           HB3      PHE  96  19.873  -3.808  -0.501
  706    HD1  PHE  96           HD1      PHE  96  19.739  -0.400   0.969
  707    HD2  PHE  96           HD2      PHE  96  22.058  -3.105  -1.461
  708    HE1  PHE  96           HE1      PHE  96  21.621   1.170   1.028
  709    HE2  PHE  96           HE2      PHE  96  23.918  -1.463  -1.498
  710    HZ   PHE  96           HZ       PHE  96  23.732   0.656  -0.214
  711    H    GLU  97           H        GLU  97  19.791  -0.350  -2.678
  712    HA   GLU  97           HA       GLU  97  21.750  -1.802  -4.272
  713    HB2  GLU  97           HB2      GLU  97  19.637   0.024  -5.504
  714    HB3  GLU  97           HB3      GLU  97  21.236  -0.174  -6.222
  715    HG2  GLU  97           HG2      GLU  97  20.894  -2.607  -6.342
  716    HG3  GLU  97           HG3      GLU  97  19.203  -2.382  -5.832
  717    H    ASP  98           H        ASP  98  23.428  -0.334  -4.877
  718    HA   ASP  98           HA       ASP  98  23.313   2.376  -3.738
  719    HB2  ASP  98           HB2      ASP  98  24.898   1.180  -2.342
  720    HB3  ASP  98           HB3      ASP  98  25.833   0.718  -3.778
  721    H    TRP  99           H        TRP  99  23.089   3.724  -5.387
  722    HA   TRP  99           HA       TRP  99  24.096   3.021  -8.068
  723    HB2  TRP  99           HB2      TRP  99  22.444   5.393  -7.157
  724    HB3  TRP  99           HB3      TRP  99  22.826   4.963  -8.800
  725    HD1  TRP  99           HD1      TRP  99  21.904   1.711  -7.420
  726    HE1  TRP  99           HE1      TRP  99  19.457   1.154  -7.861
  727    HE3  TRP  99           HE3      TRP  99  20.258   6.410  -8.550
  728    HZ2  TRP  99           HZ2      TRP  99  16.961   2.656  -8.401
  729    HZ3  TRP  99           HZ3      TRP  99  17.850   6.834  -8.939
  730    HH2  TRP  99           HH2      TRP  99  16.230   4.978  -8.851
  731    H    GLN 100           H        GLN 100  26.333   3.088  -7.577
  732    HA   GLN 100           HA       GLN 100  27.778   5.396  -6.775
  733    HB2  GLN 100           HB2      GLN 100  28.699   3.082  -7.031
  734    HB3  GLN 100           HB3      GLN 100  28.559   3.231  -8.787
  735    HG2  GLN 100           HG2      GLN 100  30.128   5.191  -8.715
  736    HG3  GLN 100           HG3      GLN 100  30.272   4.978  -6.966
  737   HE21  GLN 100          HE22      GLN 100  30.971   2.643  -6.273
  738   HE22  GLN 100          HE21      GLN 100  32.234   1.921  -7.238
  739    H    LEU 101           H        LEU 101  27.948   7.365  -7.783
  740    HA   LEU 101           HA       LEU 101  27.402   7.731 -10.657
  741    HB2  LEU 101           HB2      LEU 101  25.667   8.629  -8.325
  742    HB3  LEU 101           HB3      LEU 101  25.680   9.557  -9.810
  743    HG   LEU 101           HG       LEU 101  24.952   6.585  -9.800
  744   HD11  LEU 101          HD11      LEU 101  23.427   7.665  -8.303
  745   HD12  LEU 101          HD12      LEU 101  23.157   8.970  -9.473
  746   HD13  LEU 101          HD13      LEU 101  22.618   7.307  -9.832
  747   HD21  LEU 101          HD21      LEU 101  24.347   8.777 -11.803
  748   HD22  LEU 101          HD22      LEU 101  25.598   7.526 -11.993
  749   HD23  LEU 101          HD23      LEU 101  23.901   7.059 -11.892
  750    H    GLU 102           H        GLU 102  28.062   9.841 -11.343
  751    HA   GLU 102           HA       GLU 102  30.224  10.914  -9.815
  752    HB2  GLU 102           HB2      GLU 102  29.115  11.597 -12.566
  753    HB3  GLU 102           HB3      GLU 102  30.529  12.388 -11.848
  754    HG2  GLU 102           HG2      GLU 102  31.647  10.178 -11.617
  755    HG3  GLU 102           HG3      GLU 102  30.279   9.406 -12.421
  756    H    ASP 103           H        ASP 103  29.028  11.495  -8.027
  757    HA   ASP 103           HA       ASP 103  27.079  13.029  -7.418
  758    HB2  ASP 103           HB2      ASP 103  28.548  12.210  -5.811
  759    HB3  ASP 103           HB3      ASP 103  29.758  13.459  -6.177
  760    HA   PRO 104           HA       PRO 104  27.579  16.436 -10.203
  761    HB2  PRO 104           HB2      PRO 104  24.807  17.069  -9.246
  762    HB3  PRO 104           HB3      PRO 104  25.504  17.098 -10.915
  763    HG2  PRO 104           HG2      PRO 104  24.070  14.976 -10.108
  764    HG3  PRO 104           HG3      PRO 104  25.601  14.768 -11.037
  765    HD2  PRO 104           HD2      PRO 104  25.122  14.448  -8.087
  766    HD3  PRO 104           HD3      PRO 104  26.117  13.447  -9.215
  767    H    ASP 105           H        ASP 105  27.698  16.855  -6.900
  768    HA   ASP 105           HA       ASP 105  27.111  19.614  -6.533
  769    HB2  ASP 105           HB2      ASP 105  27.476  18.063  -4.671
  770    HB3  ASP 105           HB3      ASP 105  29.182  17.937  -5.108
  771    H    GLY 106           H        GLY 106  27.817  20.962  -8.032
  772    HA2  GLY 106           HA2      GLY 106  29.190  22.742  -8.560
  773    HA3  GLY 106           HA3      GLY 106  30.557  21.941  -7.774
  774    H    GLN 107           H        GLN 107  28.668  20.153 -10.199
  775    HA   GLN 107           HA       GLN 107  31.179  19.947 -11.744
  776    HB2  GLN 107           HB2      GLN 107  28.655  18.305 -12.026
  777    HB3  GLN 107           HB3      GLN 107  30.272  17.911 -12.613
  778    HG2  GLN 107           HG2      GLN 107  29.539  18.136  -9.675
  779    HG3  GLN 107           HG3      GLN 107  29.527  16.653 -10.643
  780   HE21  GLN 107          HE22      GLN 107  30.845  15.967  -8.814
  781   HE22  GLN 107          HE21      GLN 107  32.593  16.129  -8.981
  782    H    SER 108           H        SER 108  30.710  19.283 -14.131
  783    HA   SER 108           HA       SER 108  29.749  21.621 -15.561
  784    HB2  SER 108           HB2      SER 108  30.763  18.874 -16.414
  785    HB3  SER 108           HB3      SER 108  30.569  20.278 -17.493
  786    HG   SER 108           HG       SER 108  32.731  20.037 -16.760
  787    H    LEU 109           H        LEU 109  28.008  21.533 -17.167
  788    HA   LEU 109           HA       LEU 109  25.677  20.183 -16.343
  789    HB2  LEU 109           HB2      LEU 109  26.395  21.308 -19.076
  790    HB3  LEU 109           HB3      LEU 109  24.790  20.713 -18.652
  791    HG   LEU 109           HG       LEU 109  26.192  23.008 -17.224
  792   HD11  LEU 109          HD11      LEU 109  23.951  23.052 -19.298
  793   HD12  LEU 109          HD12      LEU 109  24.598  24.462 -18.429
  794   HD13  LEU 109          HD13      LEU 109  25.629  23.576 -19.561
  795   HD21  LEU 109          HD21      LEU 109  23.916  23.476 -16.298
  796   HD22  LEU 109          HD22      LEU 109  23.324  21.968 -17.026
  797   HD23  LEU 109          HD23      LEU 109  24.555  21.932 -15.743
  798    H    GLU 110           H        GLU 110  28.201  19.104 -18.598
  799    HA   GLU 110           HA       GLU 110  26.810  16.889 -19.668
  800    HB2  GLU 110           HB2      GLU 110  28.928  17.837 -20.522
  801    HB3  GLU 110           HB3      GLU 110  29.785  17.222 -19.102
  802    HG2  GLU 110           HG2      GLU 110  29.235  14.899 -19.755
  803    HG3  GLU 110           HG3      GLU 110  28.277  15.490 -21.115
  804    H    VAL 111           H        VAL 111  28.593  17.256 -16.568
  805    HA   VAL 111           HA       VAL 111  28.479  14.449 -15.883
  806    HB   VAL 111           HB       VAL 111  28.883  16.901 -14.155
  807   HG11  VAL 111          HG11      VAL 111  28.185  15.079 -12.720
  808   HG12  VAL 111          HG12      VAL 111  29.284  13.948 -13.542
  809   HG13  VAL 111          HG13      VAL 111  29.932  15.262 -12.544
  810   HG21  VAL 111          HG21      VAL 111  31.291  16.276 -14.241
  811   HG22  VAL 111          HG22      VAL 111  30.904  14.949 -15.354
  812   HG23  VAL 111          HG23      VAL 111  30.679  16.633 -15.857
  813    H    PHE 112           H        PHE 112  26.561  17.380 -15.079
  814    HA   PHE 112           HA       PHE 112  24.594  16.153 -13.460
  815    HB2  PHE 112           HB2      PHE 112  24.656  18.597 -15.227
  816    HB3  PHE 112           HB3      PHE 112  23.133  18.030 -14.596
  817    HD1  PHE 112           HD1      PHE 112  22.550  18.062 -12.243
  818    HD2  PHE 112           HD2      PHE 112  26.332  19.565 -13.684
  819    HE1  PHE 112           HE1      PHE 112  22.970  19.134 -10.045
  820    HE2  PHE 112           HE2      PHE 112  26.744  20.616 -11.483
  821    HZ   PHE 112           HZ       PHE 112  25.124  20.325  -9.658
  822    H    ARG 113           H        ARG 113  24.494  16.687 -17.051
  823    HA   ARG 113           HA       ARG 113  22.102  15.271 -17.508
  824    HB2  ARG 113           HB2      ARG 113  24.509  15.982 -19.204
  825    HB3  ARG 113           HB3      ARG 113  23.268  14.920 -19.875
  826    HG2  ARG 113           HG2      ARG 113  21.616  16.526 -19.875
  827    HG3  ARG 113           HG3      ARG 113  22.316  17.392 -18.510
  828    HD2  ARG 113           HD2      ARG 113  23.995  18.404 -19.802
  829    HD3  ARG 113           HD3      ARG 113  23.526  17.478 -21.261
  830    HE   ARG 113           HE       ARG 113  21.252  18.888 -20.289
  831   HH11  ARG 113          HH11      ARG 113  24.427  19.658 -21.728
  832   HH12  ARG 113          HH12      ARG 113  23.905  21.147 -22.420
  833   HH21  ARG 113          HH21      ARG 113  20.547  20.804 -21.269
  834   HH22  ARG 113          HH22      ARG 113  21.645  21.828 -22.151
  835    H    THR 114           H        THR 114  25.484  13.934 -17.390
  836    HA   THR 114           HA       THR 114  24.761  11.339 -18.203
  837    HB   THR 114           HB       THR 114  26.979  12.386 -16.378
  838    HG1  THR 114           HG1      THR 114  27.144  13.324 -18.343
  839   HG21  THR 114          HG21      THR 114  26.724   9.769 -17.889
  840   HG22  THR 114          HG22      THR 114  28.210  10.369 -17.102
  841   HG23  THR 114          HG23      THR 114  26.783   9.990 -16.120
  842    H    VAL 115           H        VAL 115  25.038  12.780 -14.879
  843    HA   VAL 115           HA       VAL 115  24.178  10.399 -13.595
  844    HB   VAL 115           HB       VAL 115  24.335  13.258 -12.717
  845   HG11  VAL 115          HG11      VAL 115  24.140  12.429 -10.359
  846   HG12  VAL 115          HG12      VAL 115  22.639  12.255 -11.268
  847   HG13  VAL 115          HG13      VAL 115  23.674  10.840 -10.988
  848   HG21  VAL 115          HG21      VAL 115  26.498  12.171 -13.151
  849   HG22  VAL 115          HG22      VAL 115  26.279  12.383 -11.416
  850   HG23  VAL 115          HG23      VAL 115  26.028  10.786 -12.143
  851    H    ARG 116           H        ARG 116  22.296  13.330 -14.639
  852    HA   ARG 116           HA       ARG 116  19.816  12.517 -13.596
  853    HB2  ARG 116           HB2      ARG 116  19.884  14.704 -14.529
  854    HB3  ARG 116           HB3      ARG 116  20.535  14.137 -16.078
  855    HG2  ARG 116           HG2      ARG 116  18.461  13.083 -16.693
  856    HG3  ARG 116           HG3      ARG 116  17.803  13.273 -15.080
  857    HD2  ARG 116           HD2      ARG 116  16.707  14.730 -16.548
  858    HD3  ARG 116           HD3      ARG 116  17.606  15.711 -15.434
  859    HE   ARG 116           HE       ARG 116  18.934  16.515 -17.179
  860   HH11  ARG 116          HH11      ARG 116  17.078  13.727 -18.386
  861   HH12  ARG 116          HH12      ARG 116  17.381  14.075 -20.045
  862   HH21  ARG 116          HH21      ARG 116  19.195  17.064 -19.423
  863   HH22  ARG 116          HH22      ARG 116  18.663  15.946 -20.628
  864    H    GLY 117           H        GLY 117  21.362  11.635 -16.733
  865    HA2  GLY 117           HA2      GLY 117  19.138  10.149 -17.639
  866    HA3  GLY 117           HA3      GLY 117  20.822   9.947 -18.215
  867    H    GLN 118           H        GLN 118  22.099   9.017 -15.859
  868    HA   GLN 118           HA       GLN 118  21.303   6.291 -15.830
  869    HB2  GLN 118           HB2      GLN 118  23.076   7.900 -13.948
  870    HB3  GLN 118           HB3      GLN 118  22.796   6.161 -13.814
  871    HG2  GLN 118           HG2      GLN 118  23.625   6.062 -16.302
  872    HG3  GLN 118           HG3      GLN 118  24.263   7.679 -15.973
  873   HE21  GLN 118          HE22      GLN 118  26.493   7.414 -15.649
  874   HE22  GLN 118          HE21      GLN 118  27.199   6.192 -14.622
  875    H    VAL 119           H        VAL 119  21.054   8.750 -13.259
  876    HA   VAL 119           HA       VAL 119  19.540   7.368 -11.401
  877    HB   VAL 119           HB       VAL 119  19.468  10.332 -12.112
  878   HG11  VAL 119          HG11      VAL 119  18.577  10.729  -9.853
  879   HG12  VAL 119          HG12      VAL 119  17.449   9.737 -10.785
  880   HG13  VAL 119          HG13      VAL 119  18.476   8.975  -9.570
  881   HG21  VAL 119          HG21      VAL 119  20.830   8.896  -9.790
  882   HG22  VAL 119          HG22      VAL 119  21.682   9.343 -11.276
  883   HG23  VAL 119          HG23      VAL 119  20.997  10.603 -10.240
  884    H    LYS 120           H        LYS 120  18.146   9.313 -14.217
  885    HA   LYS 120           HA       LYS 120  15.494   8.765 -13.396
  886    HB2  LYS 120           HB2      LYS 120  16.028  10.563 -14.963
  887    HB3  LYS 120           HB3      LYS 120  16.725   9.411 -16.117
  888    HG2  LYS 120           HG2      LYS 120  14.517   8.389 -16.478
  889    HG3  LYS 120           HG3      LYS 120  13.792   9.514 -15.309
  890    HD2  LYS 120           HD2      LYS 120  14.369  11.422 -16.722
  891    HD3  LYS 120           HD3      LYS 120  15.243  10.384 -17.859
  892    HE2  LYS 120           HE2      LYS 120  12.282  10.102 -17.200
  893    HE3  LYS 120           HE3      LYS 120  12.905  11.052 -18.559
  894    HZ1  LYS 120           HZ1      LYS 120  12.278   8.915 -19.342
  895    HZ2  LYS 120           HZ2      LYS 120  13.903   8.964 -19.407
  896    HZ3  LYS 120           HZ3      LYS 120  13.137   8.107 -18.221
  897    H    GLU 121           H        GLU 121  17.598   7.032 -15.712
  898    HA   GLU 121           HA       GLU 121  15.787   5.016 -16.461
  899    HB2  GLU 121           HB2      GLU 121  17.712   4.965 -17.750
  900    HB3  GLU 121           HB3      GLU 121  18.708   5.547 -16.431
  901    HG2  GLU 121           HG2      GLU 121  19.548   3.480 -17.046
  902    HG3  GLU 121           HG3      GLU 121  18.920   3.419 -15.424
  903    H    ARG 122           H        ARG 122  18.002   5.281 -13.619
  904    HA   ARG 122           HA       ARG 122  17.499   2.573 -12.784
  905    HB2  ARG 122           HB2      ARG 122  18.736   4.954 -11.375
  906    HB3  ARG 122           HB3      ARG 122  18.669   3.310 -10.724
  907    HG2  ARG 122           HG2      ARG 122  20.163   2.413 -12.262
  908    HG3  ARG 122           HG3      ARG 122  20.037   3.782 -13.367
  909    HD2  ARG 122           HD2      ARG 122  21.054   5.269 -11.650
  910    HD3  ARG 122           HD3      ARG 122  21.210   3.900 -10.557
  911    HE   ARG 122           HE       ARG 122  22.783   4.454 -13.001
  912   HH11  ARG 122          HH11      ARG 122  22.194   2.152 -10.364
  913   HH12  ARG 122          HH12      ARG 122  23.761   1.435 -10.469
  914   HH21  ARG 122          HH21      ARG 122  24.875   3.644 -13.041
  915   HH22  ARG 122          HH22      ARG 122  25.331   2.299 -12.044
  916    H    VAL 123           H        VAL 123  16.116   5.767 -11.587
  917    HA   VAL 123           HA       VAL 123  14.271   4.721  -9.832
  918    HB   VAL 123           HB       VAL 123  14.020   7.040 -11.780
  919   HG11  VAL 123          HG11      VAL 123  12.284   7.880 -10.235
  920   HG12  VAL 123          HG12      VAL 123  11.771   6.413 -11.065
  921   HG13  VAL 123          HG13      VAL 123  12.291   6.323  -9.369
  922   HG21  VAL 123          HG21      VAL 123  15.856   7.248 -10.065
  923   HG22  VAL 123          HG22      VAL 123  14.574   8.433  -9.857
  924   HG23  VAL 123          HG23      VAL 123  14.653   7.017  -8.797
  925    H    GLU 124           H        GLU 124  13.872   5.009 -13.472
  926    HA   GLU 124           HA       GLU 124  11.304   3.837 -13.465
  927    HB2  GLU 124           HB2      GLU 124  13.445   3.814 -15.645
  928    HB3  GLU 124           HB3      GLU 124  11.801   3.222 -15.866
  929    HG2  GLU 124           HG2      GLU 124  10.916   5.474 -15.304
  930    HG3  GLU 124           HG3      GLU 124  12.575   6.065 -15.148
  931    H    ASN 125           H        ASN 125  14.516   2.392 -13.569
  932    HA   ASN 125           HA       ASN 125  13.834  -0.303 -14.077
  933    HB2  ASN 125           HB2      ASN 125  16.123   0.997 -14.029
  934    HB3  ASN 125           HB3      ASN 125  16.179   0.543 -12.334
  935   HD21  ASN 125          HD22      ASN 125  17.498  -0.194 -15.150
  936   HD22  ASN 125          HD21      ASN 125  17.679  -1.938 -14.975
  937    H    LEU 126           H        LEU 126  14.299   1.471 -11.025
  938    HA   LEU 126           HA       LEU 126  13.694  -0.729  -9.347
  939    HB2  LEU 126           HB2      LEU 126  14.295   0.513  -7.631
  940    HB3  LEU 126           HB3      LEU 126  14.876   1.607  -8.860
  941    HG   LEU 126           HG       LEU 126  12.457   2.641  -8.675
  942   HD11  LEU 126          HD11      LEU 126  12.765   1.566  -5.842
  943   HD12  LEU 126          HD12      LEU 126  11.388   2.452  -6.527
  944   HD13  LEU 126          HD13      LEU 126  11.736   0.778  -7.020
  945   HD21  LEU 126          HD21      LEU 126  14.330   3.136  -6.361
  946   HD22  LEU 126          HD22      LEU 126  14.661   3.701  -8.000
  947   HD23  LEU 126          HD23      LEU 126  13.215   4.269  -7.156
  948    H    ILE 127           H        ILE 127  11.606   1.896 -10.535
  949    HA   ILE 127           HA       ILE 127   9.178   1.060  -9.335
  950    HB   ILE 127           HB       ILE 127   9.909   2.512 -11.907
  951   HG12  ILE 127          HG12      ILE 127   8.521   3.611  -9.423
  952   HG13  ILE 127          HG13      ILE 127  10.274   3.591  -9.583
  953   HG21  ILE 127          HG21      ILE 127   7.132   1.902 -10.845
  954   HG22  ILE 127          HG22      ILE 127   7.463   3.212 -12.013
  955   HG23  ILE 127          HG23      ILE 127   7.823   1.556 -12.445
  956   HD11  ILE 127          HD11      ILE 127   9.474   5.779 -10.232
  957   HD12  ILE 127          HD12      ILE 127  10.100   4.955 -11.674
  958   HD13  ILE 127          HD13      ILE 127   8.358   5.101 -11.421
  959    H    ALA 128           H        ALA 128  10.810  -0.146 -12.317
  960    HA   ALA 128           HA       ALA 128   8.570  -1.498 -13.348
  961    HB1  ALA 128           HB1      ALA 128  10.655  -1.082 -14.624
  962    HB2  ALA 128           HB2      ALA 128  11.502  -2.295 -13.636
  963    HB3  ALA 128           HB3      ALA 128  10.168  -2.786 -14.694
  964    H    LYS 129           H        LYS 129  10.792  -2.438 -10.835
  965    HA   LYS 129           HA       LYS 129  10.193  -5.207 -10.636
  966    HB2  LYS 129           HB2      LYS 129  11.342  -3.213  -8.690
  967    HB3  LYS 129           HB3      LYS 129  11.406  -4.969  -8.468
  968    HG2  LYS 129           HG2      LYS 129  12.777  -5.236 -10.473
  969    HG3  LYS 129           HG3      LYS 129  12.590  -3.531 -10.885
  970    HD2  LYS 129           HD2      LYS 129  13.633  -3.099  -8.513
  971    HD3  LYS 129           HD3      LYS 129  14.237  -4.755  -8.691
  972    HE2  LYS 129           HE2      LYS 129  14.700  -2.359 -10.533
  973    HE3  LYS 129           HE3      LYS 129  15.903  -3.083  -9.468
  974    HZ1  LYS 129           HZ1      LYS 129  15.981  -4.991 -10.881
  975    HZ2  LYS 129           HZ2      LYS 129  14.670  -4.516 -11.751
  976    HZ3  LYS 129           HZ3      LYS 129  16.044  -3.668 -11.864
  977    H    ILE 130           H        ILE 130   8.506  -2.362  -9.429
  978    HA   ILE 130           HA       ILE 130   6.922  -3.926  -7.550
  979    HB   ILE 130           HB       ILE 130   6.803  -1.616  -6.440
  980   HG12  ILE 130          HG12      ILE 130   9.005  -0.978  -8.332
  981   HG13  ILE 130          HG13      ILE 130   7.519  -0.091  -8.009
  982   HG21  ILE 130          HG21      ILE 130   8.173  -3.678  -5.722
  983   HG22  ILE 130          HG22      ILE 130   9.538  -2.970  -6.620
  984   HG23  ILE 130          HG23      ILE 130   8.867  -2.158  -5.177
  985   HD11  ILE 130          HD11      ILE 130   9.968  -0.403  -6.224
  986   HD12  ILE 130          HD12      ILE 130   9.411   1.058  -7.036
  987   HD13  ILE 130          HD13      ILE 130   8.460   0.361  -5.687
  988    H    SER 131           H        SER 131   6.742  -1.771 -10.178
  989    HA   SER 131           HA       SER 131   4.240  -0.693 -10.275
  990    HB2  SER 131           HB2      SER 131   5.644  -2.248 -12.483
  991    HB3  SER 131           HB3      SER 131   4.252  -1.176 -12.722
  992    HG   SER 131           HG       SER 131   6.792  -0.445 -11.647
  Start of MODEL   11
    1    H    MET   1           H        MET   1   1.486  -1.013  -0.503
    2    HA   MET   1           HA       MET   1   1.861   0.394  -2.378
    3    HB2  MET   1           HB2      MET   1   0.774   2.402  -1.643
    4    HB3  MET   1           HB3      MET   1   1.894   2.605  -0.286
    5    HG2  MET   1           HG2      MET   1   3.729   3.092  -1.764
    6    HG3  MET   1           HG3      MET   1   2.780   2.685  -3.195
    7    HE1  MET   1           HE1      MET   1   0.562   5.753  -3.829
    8    HE2  MET   1           HE2      MET   1   1.519   4.485  -4.611
    9    HE3  MET   1           HE3      MET   1   0.228   4.045  -3.463
   10    H    LYS   2           H        LYS   2   3.935   0.557  -3.155
   11    HA   LYS   2           HA       LYS   2   6.087  -0.473  -1.415
   12    HB2  LYS   2           HB2      LYS   2   5.760   0.158  -4.375
   13    HB3  LYS   2           HB3      LYS   2   7.349  -0.206  -3.686
   14    HG2  LYS   2           HG2      LYS   2   4.957  -2.088  -3.379
   15    HG3  LYS   2           HG3      LYS   2   6.006  -2.121  -4.797
   16    HD2  LYS   2           HD2      LYS   2   7.985  -2.457  -3.340
   17    HD3  LYS   2           HD3      LYS   2   6.918  -2.478  -1.920
   18    HE2  LYS   2           HE2      LYS   2   5.785  -4.479  -2.732
   19    HE3  LYS   2           HE3      LYS   2   6.718  -4.450  -4.236
   20    HZ1  LYS   2           HZ1      LYS   2   7.603  -6.002  -2.526
   21    HZ2  LYS   2           HZ2      LYS   2   8.708  -4.875  -2.977
   22    HZ3  LYS   2           HZ3      LYS   2   7.958  -4.715  -1.550
   23    H    LYS   3           H        LYS   3   7.328   0.896  -0.291
   24    HA   LYS   3           HA       LYS   3   7.440   3.745  -1.113
   25    HB2  LYS   3           HB2      LYS   3   7.551   2.286   1.525
   26    HB3  LYS   3           HB3      LYS   3   8.528   3.733   1.388
   27    HG2  LYS   3           HG2      LYS   3   6.697   5.079   0.576
   28    HG3  LYS   3           HG3      LYS   3   5.600   3.679   0.532
   29    HD2  LYS   3           HD2      LYS   3   5.640   3.503   2.951
   30    HD3  LYS   3           HD3      LYS   3   6.948   4.712   3.059
   31    HE2  LYS   3           HE2      LYS   3   5.480   6.436   2.150
   32    HE3  LYS   3           HE3      LYS   3   4.154   5.270   1.982
   33    HZ1  LYS   3           HZ1      LYS   3   4.087   5.045   4.357
   34    HZ2  LYS   3           HZ2      LYS   3   5.447   5.916   4.568
   35    HZ3  LYS   3           HZ3      LYS   3   4.062   6.652   4.042
   36    H    VAL   4           H        VAL   4   9.174   4.543  -2.044
   37    HA   VAL   4           HA       VAL   4  11.731   3.068  -1.708
   38    HB   VAL   4           HB       VAL   4  10.863   3.260  -3.957
   39   HG11  VAL   4          HG11      VAL   4  10.826   5.332  -5.234
   40   HG12  VAL   4          HG12      VAL   4   9.640   5.372  -3.921
   41   HG13  VAL   4          HG13      VAL   4  11.179   6.255  -3.768
   42   HG21  VAL   4          HG21      VAL   4  13.346   3.222  -3.536
   43   HG22  VAL   4          HG22      VAL   4  12.900   4.042  -5.037
   44   HG23  VAL   4          HG23      VAL   4  13.360   4.992  -3.623
   45    H    MET   5           H        MET   5  13.452   3.940  -0.859
   46    HA   MET   5           HA       MET   5  13.407   6.885  -0.219
   47    HB2  MET   5           HB2      MET   5  13.373   5.586   1.837
   48    HB3  MET   5           HB3      MET   5  14.747   4.625   1.277
   49    HG2  MET   5           HG2      MET   5  15.538   6.296   2.854
   50    HG3  MET   5           HG3      MET   5  16.155   6.633   1.261
   51    HE1  MET   5           HE1      MET   5  13.129   7.491   3.640
   52    HE2  MET   5           HE2      MET   5  14.631   8.120   4.352
   53    HE3  MET   5           HE3      MET   5  13.373   9.245   3.802
   54    H    PHE   6           H        PHE   6  15.171   8.070  -0.894
   55    HA   PHE   6           HA       PHE   6  17.419   6.654  -2.246
   56    HB2  PHE   6           HB2      PHE   6  16.388   9.418  -2.828
   57    HB3  PHE   6           HB3      PHE   6  17.807   8.634  -3.536
   58    HD1  PHE   6           HD2      PHE   6  17.570   6.710  -5.090
   59    HD2  PHE   6           HD1      PHE   6  14.129   8.798  -3.513
   60    HE1  PHE   6           HE2      PHE   6  16.138   5.706  -6.887
   61    HE2  PHE   6           HE1      PHE   6  12.726   7.669  -5.272
   62    HZ   PHE   6           HZ       PHE   6  13.714   6.209  -6.927
   63    H    VAL   7           H        VAL   7  19.474   7.103  -1.225
   64    HA   VAL   7           HA       VAL   7  19.529   9.213   0.891
   65    HB   VAL   7           HB       VAL   7  20.754   6.430   1.170
   66   HG11  VAL   7          HG11      VAL   7  21.704   8.281   2.535
   67   HG12  VAL   7          HG12      VAL   7  20.098   8.572   3.238
   68   HG13  VAL   7          HG13      VAL   7  20.947   7.033   3.515
   69   HG21  VAL   7          HG21      VAL   7  18.937   5.862   2.761
   70   HG22  VAL   7          HG22      VAL   7  18.049   7.294   2.208
   71   HG23  VAL   7          HG23      VAL   7  18.406   5.955   1.082
   72    H    CYS   8           H        CYS   8  21.326  10.544   0.582
   73    HA   CYS   8           HA       CYS   8  23.690   9.378  -0.833
   74    HB2  CYS   8           HB2      CYS   8  22.468  10.868  -2.377
   75    HB3  CYS   8           HB3      CYS   8  22.394  12.128  -1.163
   76    HG   CYS   8           HG       CYS   8  24.905  10.836  -2.811
   77    H    LYS   9           H        LYS   9  25.754  10.345  -0.273
   78    HA   LYS   9           HA       LYS   9  25.842  10.906   2.549
   79    HB2  LYS   9           HB2      LYS   9  28.165  10.822   2.446
   80    HB3  LYS   9           HB3      LYS   9  27.488   9.532   1.456
   81    HG2  LYS   9           HG2      LYS   9  28.042  10.857  -0.599
   82    HG3  LYS   9           HG3      LYS   9  28.847  12.058   0.444
   83    HD2  LYS   9           HD2      LYS   9  30.292  10.226   1.390
   84    HD3  LYS   9           HD3      LYS   9  29.462   9.062   0.363
   85    HE2  LYS   9           HE2      LYS   9  31.490   9.412  -0.668
   86    HE3  LYS   9           HE3      LYS   9  30.316  10.269  -1.659
   87    HZ1  LYS   9           HZ1      LYS   9  32.131  11.548   0.317
   88    HZ2  LYS   9           HZ2      LYS   9  32.309  11.600  -1.298
   89    HZ3  LYS   9           HZ3      LYS   9  31.044  12.353  -0.603
   90    H    ARG  10           H        ARG  10  24.948  12.991   0.120
   91    HA   ARG  10           HA       ARG  10  25.137  15.139   2.136
   92    HB2  ARG  10           HB2      ARG  10  25.702  16.846   0.524
   93    HB3  ARG  10           HB3      ARG  10  26.980  15.661   0.718
   94    HG2  ARG  10           HG2      ARG  10  26.640  14.752  -1.479
   95    HG3  ARG  10           HG3      ARG  10  25.063  15.520  -1.661
   96    HD2  ARG  10           HD2      ARG  10  26.863  16.679  -2.932
   97    HD3  ARG  10           HD3      ARG  10  26.013  17.707  -1.787
   98    HE   ARG  10           HE       ARG  10  27.853  17.815  -0.374
   99   HH11  ARG  10          HH11      ARG  10  28.719  16.089  -3.392
  100   HH12  ARG  10          HH12      ARG  10  30.418  16.237  -3.100
  101   HH21  ARG  10          HH21      ARG  10  30.092  17.983  -0.036
  102   HH22  ARG  10          HH22      ARG  10  31.206  17.342  -1.179
  103    H    ASN  11           H        ASN  11  23.034  13.399   0.237
  104    HA   ASN  11           HA       ASN  11  20.883  13.585  -0.421
  105    HB2  ASN  11           HB2      ASN  11  20.598  14.567   1.881
  106    HB3  ASN  11           HB3      ASN  11  20.664  16.165   1.149
  107   HD21  ASN  11          HD22      ASN  11  18.963  14.662  -1.271
  108   HD22  ASN  11          HD21      ASN  11  17.361  14.773  -0.561
  109    H    SER  12           H        SER  12  22.479  16.796  -0.631
  110    HA   SER  12           HA       SER  12  21.058  18.375  -1.975
  111    HB2  SER  12           HB2      SER  12  23.946  17.796  -2.698
  112    HB3  SER  12           HB3      SER  12  23.098  19.323  -3.011
  113    HG   SER  12           HG       SER  12  22.842  19.659  -0.904
  114    H    CYS  13           H        CYS  13  22.383  15.658  -3.937
  115    HA   CYS  13           HA       CYS  13  20.942  16.856  -6.269
  116    HB2  CYS  13           HB2      CYS  13  22.997  16.232  -7.646
  117    HB3  CYS  13           HB3      CYS  13  23.096  17.683  -6.643
  118    HG   CYS  13           HG       CYS  13  24.458  16.762  -4.716
  119    H    ARG  14           H        ARG  14  22.925  13.911  -5.456
  120    HA   ARG  14           HA       ARG  14  21.754  12.459  -7.515
  121    HB2  ARG  14           HB2      ARG  14  23.070  11.424  -4.992
  122    HB3  ARG  14           HB3      ARG  14  22.468  10.354  -6.279
  123    HG2  ARG  14           HG2      ARG  14  23.835  11.408  -7.953
  124    HG3  ARG  14           HG3      ARG  14  24.406  12.629  -6.812
  125    HD2  ARG  14           HD2      ARG  14  24.891   9.649  -6.416
  126    HD3  ARG  14           HD3      ARG  14  25.987  10.709  -7.324
  127    HE   ARG  14           HE       ARG  14  25.572  11.987  -4.868
  128   HH11  ARG  14          HH21      ARG  14  27.467   9.292  -6.184
  129   HH12  ARG  14          HH22      ARG  14  28.334   9.062  -4.706
  130   HH21  ARG  14          HH11      ARG  14  26.995  11.949  -3.256
  131   HH22  ARG  14          HH12      ARG  14  28.054  10.562  -2.962
  132    H    SER  15           H        SER  15  20.776  12.380  -3.987
  133    HA   SER  15           HA       SER  15  18.552  10.669  -4.382
  134    HB2  SER  15           HB2      SER  15  18.490  12.765  -2.237
  135    HB3  SER  15           HB3      SER  15  18.082  11.045  -2.160
  136    HG   SER  15           HG       SER  15  19.926  11.460  -1.025
  137    H    GLN  16           H        GLN  16  18.890  14.236  -4.431
  138    HA   GLN  16           HA       GLN  16  16.138  14.870  -4.294
  139    HB2  GLN  16           HB2      GLN  16  18.647  16.296  -5.269
  140    HB3  GLN  16           HB3      GLN  16  17.088  17.061  -5.481
  141    HG2  GLN  16           HG2      GLN  16  18.151  16.081  -2.818
  142    HG3  GLN  16           HG3      GLN  16  18.268  17.733  -3.377
  143   HE21  GLN  16          HE22      GLN  16  17.064  17.487  -1.009
  144   HE22  GLN  16          HE21      GLN  16  15.311  17.484  -1.102
  145    H    MET  17           H        MET  17  18.267  14.463  -7.165
  146    HA   MET  17           HA       MET  17  16.161  14.980  -9.059
  147    HB2  MET  17           HB2      MET  17  18.859  13.589  -9.192
  148    HB3  MET  17           HB3      MET  17  17.751  13.611 -10.561
  149    HG2  MET  17           HG2      MET  17  17.597  16.151 -10.225
  150    HG3  MET  17           HG3      MET  17  19.036  16.003  -9.214
  151    HE1  MET  17           HE1      MET  17  21.801  15.084 -11.739
  152    HE2  MET  17           HE2      MET  17  21.425  15.824 -10.164
  153    HE3  MET  17           HE3      MET  17  20.973  14.128 -10.482
  154    H    ALA  18           H        ALA  18  17.426  11.962  -7.564
  155    HA   ALA  18           HA       ALA  18  15.834  10.187  -9.051
  156    HB1  ALA  18           HB1      ALA  18  16.279   8.596  -7.344
  157    HB2  ALA  18           HB2      ALA  18  17.736   9.590  -7.478
  158    HB3  ALA  18           HB3      ALA  18  16.609   9.849  -6.129
  159    H    GLU  19           H        GLU  19  15.009  12.121  -6.154
  160    HA   GLU  19           HA       GLU  19  12.457  10.858  -5.790
  161    HB2  GLU  19           HB2      GLU  19  13.327  11.991  -3.937
  162    HB3  GLU  19           HB3      GLU  19  13.525  13.523  -4.810
  163    HG2  GLU  19           HG2      GLU  19  11.151  13.860  -4.940
  164    HG3  GLU  19           HG3      GLU  19  10.803  12.226  -4.384
  165    H    GLY  20           H        GLY  20  13.444  13.797  -7.590
  166    HA2  GLY  20           HA2      GLY  20  10.828  14.622  -8.351
  167    HA3  GLY  20           HA3      GLY  20  12.337  14.983  -9.205
  168    H    PHE  21           H        PHE  21  13.167  12.351  -9.993
  169    HA   PHE  21           HA       PHE  21  11.344  11.891 -12.185
  170    HB2  PHE  21           HB2      PHE  21  13.669  10.193 -11.209
  171    HB3  PHE  21           HB3      PHE  21  12.761   9.909 -12.692
  172    HD1  PHE  21           HD1      PHE  21  12.483  12.156 -14.244
  173    HD2  PHE  21           HD2      PHE  21  15.699  11.339 -11.488
  174    HE1  PHE  21           HE1      PHE  21  13.845  14.027 -15.233
  175    HE2  PHE  21           HE2      PHE  21  17.017  13.194 -12.498
  176    HZ   PHE  21           HZ       PHE  21  16.015  14.565 -14.314
  177    H    ALA  22           H        ALA  22  11.970  10.023  -9.135
  178    HA   ALA  22           HA       ALA  22  10.198   7.915  -9.723
  179    HB1  ALA  22           HB1      ALA  22  10.191   7.539  -7.263
  180    HB2  ALA  22           HB2      ALA  22  11.832   7.864  -7.864
  181    HB3  ALA  22           HB3      ALA  22  10.921   9.148  -7.052
  182    H    LYS  23           H        LYS  23   9.452  11.060  -8.101
  183    HA   LYS  23           HA       LYS  23   6.737  10.232  -7.752
  184    HB2  LYS  23           HB2      LYS  23   6.315  12.324  -6.755
  185    HB3  LYS  23           HB3      LYS  23   7.923  11.829  -6.238
  186    HG2  LYS  23           HG2      LYS  23   8.850  13.285  -8.130
  187    HG3  LYS  23           HG3      LYS  23   7.204  13.871  -8.352
  188    HD2  LYS  23           HD2      LYS  23   7.475  14.157  -5.608
  189    HD3  LYS  23           HD3      LYS  23   9.153  14.419  -6.148
  190    HE2  LYS  23           HE2      LYS  23   8.291  16.014  -7.866
  191    HE3  LYS  23           HE3      LYS  23   6.640  15.729  -7.253
  192    HZ1  LYS  23           HZ1      LYS  23   7.338  16.712  -5.139
  193    HZ2  LYS  23           HZ2      LYS  23   8.884  16.896  -5.657
  194    HZ3  LYS  23           HZ3      LYS  23   7.671  17.774  -6.330
  195    H    THR  24           H        THR  24   8.352  11.376 -10.605
  196    HA   THR  24           HA       THR  24   5.807  12.173 -11.762
  197    HB   THR  24           HB       THR  24   8.620  11.806 -12.941
  198    HG1  THR  24           HG1      THR  24   8.798  13.416 -11.457
  199   HG21  THR  24          HG21      THR  24   7.824  13.384 -14.675
  200   HG22  THR  24          HG22      THR  24   6.908  11.871 -14.666
  201   HG23  THR  24          HG23      THR  24   6.194  13.339 -13.953
  202    H    LEU  25           H        LEU  25   8.202   9.574 -11.963
  203    HA   LEU  25           HA       LEU  25   7.020   8.135 -14.116
  204    HB2  LEU  25           HB2      LEU  25   9.018   7.373 -11.954
  205    HB3  LEU  25           HB3      LEU  25   8.655   6.368 -13.354
  206    HG   LEU  25           HG       LEU  25   9.764   9.213 -13.598
  207   HD11  LEU  25          HD11      LEU  25  11.326   7.902 -12.369
  208   HD12  LEU  25          HD12      LEU  25  11.163   6.517 -13.461
  209   HD13  LEU  25          HD13      LEU  25  11.936   8.019 -14.028
  210   HD21  LEU  25          HD21      LEU  25   9.537   6.896 -15.575
  211   HD22  LEU  25          HD22      LEU  25   8.639   8.428 -15.630
  212   HD23  LEU  25          HD23      LEU  25  10.389   8.428 -15.875
  213    H    GLY  26           H        GLY  26   6.981   7.736 -10.594
  214    HA2  GLY  26           HA2      GLY  26   4.852   5.655 -10.891
  215    HA3  GLY  26           HA3      GLY  26   6.253   5.527  -9.828
  216    H    ALA  27           H        ALA  27   5.150   8.742  -9.510
  217    HA   ALA  27           HA       ALA  27   3.901   8.345  -6.995
  218    HB1  ALA  27           HB1      ALA  27   3.587  10.620  -9.017
  219    HB2  ALA  27           HB2      ALA  27   2.866  10.641  -7.399
  220    HB3  ALA  27           HB3      ALA  27   4.609  10.617  -7.557
  221    H    GLY  28           H        GLY  28   2.104   7.272  -6.550
  222    HA2  GLY  28           HA2      GLY  28  -0.389   7.244  -6.908
  223    HA3  GLY  28           HA3      GLY  28  -0.037   6.978  -8.622
  224    H    LYS  29           H        LYS  29   2.386   5.243  -7.871
  225    HA   LYS  29           HA       LYS  29   1.001   2.891  -6.705
  226    HB2  LYS  29           HB2      LYS  29   2.236   1.474  -8.376
  227    HB3  LYS  29           HB3      LYS  29   0.849   2.403  -8.931
  228    HG2  LYS  29           HG2      LYS  29   2.355   2.575 -10.689
  229    HG3  LYS  29           HG3      LYS  29   2.458   4.125  -9.893
  230    HD2  LYS  29           HD2      LYS  29   4.683   3.470 -10.450
  231    HD3  LYS  29           HD3      LYS  29   4.519   3.337  -8.709
  232    HE2  LYS  29           HE2      LYS  29   5.754   1.415  -9.549
  233    HE3  LYS  29           HE3      LYS  29   4.193   0.839  -8.981
  234    HZ1  LYS  29           HZ1      LYS  29   4.937  -0.012 -11.197
  235    HZ2  LYS  29           HZ2      LYS  29   3.443   0.669 -11.241
  236    HZ3  LYS  29           HZ3      LYS  29   4.749   1.467 -11.832
  237    H    ILE  30           H        ILE  30   3.837   4.899  -6.798
  238    HA   ILE  30           HA       ILE  30   4.804   3.366  -4.468
  239    HB   ILE  30           HB       ILE  30   7.113   4.036  -5.055
  240   HG12  ILE  30          HG12      ILE  30   6.341   4.456  -7.936
  241   HG13  ILE  30          HG13      ILE  30   6.369   5.826  -6.825
  242   HG21  ILE  30          HG21      ILE  30   6.606   1.818  -5.403
  243   HG22  ILE  30          HG22      ILE  30   5.648   2.091  -6.881
  244   HG23  ILE  30          HG23      ILE  30   7.405   2.286  -6.901
  245   HD11  ILE  30          HD11      ILE  30   8.787   4.025  -7.360
  246   HD12  ILE  30          HD12      ILE  30   8.487   5.615  -8.067
  247   HD13  ILE  30          HD13      ILE  30   8.706   5.478  -6.316
  248    H    ALA  31           H        ALA  31   5.771   4.711  -2.900
  249    HA   ALA  31           HA       ALA  31   5.359   7.656  -3.275
  250    HB1  ALA  31           HB1      ALA  31   4.997   5.950  -0.780
  251    HB2  ALA  31           HB2      ALA  31   5.205   7.716  -0.745
  252    HB3  ALA  31           HB3      ALA  31   3.810   7.012  -1.572
  253    H    VAL  32           H        VAL  32   7.192   8.790  -3.103
  254    HA   VAL  32           HA       VAL  32   9.666   7.361  -2.409
  255    HB   VAL  32           HB       VAL  32   9.478   7.933  -4.678
  256   HG11  VAL  32          HG11      VAL  32   9.247  10.216  -5.564
  257   HG12  VAL  32          HG12      VAL  32   7.766   9.571  -4.871
  258   HG13  VAL  32          HG13      VAL  32   8.729  10.768  -3.958
  259   HG21  VAL  32          HG21      VAL  32  11.675   8.454  -3.481
  260   HG22  VAL  32          HG22      VAL  32  11.417   9.299  -5.013
  261   HG23  VAL  32          HG23      VAL  32  11.198  10.158  -3.495
  262    H    THR  33           H        THR  33  11.269   8.372  -1.254
  263    HA   THR  33           HA       THR  33  10.970  11.137  -0.411
  264    HB   THR  33           HB       THR  33  11.721   8.915   1.543
  265    HG1  THR  33           HG1      THR  33   9.246  10.026   0.938
  266   HG21  THR  33          HG21      THR  33  11.370  10.661   3.273
  267   HG22  THR  33          HG22      THR  33  12.678  11.077   2.167
  268   HG23  THR  33          HG23      THR  33  11.094  11.866   1.995
  269    H    SER  34           H        SER  34  13.037  12.124  -0.467
  270    HA   SER  34           HA       SER  34  15.413  10.383  -0.674
  271    HB2  SER  34           HB2      SER  34  16.402  12.323  -1.829
  272    HB3  SER  34           HB3      SER  34  15.015  11.630  -2.676
  273    HG   SER  34           HG       SER  34  13.755  13.345  -1.870
  274    H    CYS  35           H        CYS  35  17.276  10.958   0.566
  275    HA   CYS  35           HA       CYS  35  17.162  13.197   2.398
  276    HB2  CYS  35           HB2      CYS  35  17.300  11.884   4.439
  277    HB3  CYS  35           HB3      CYS  35  15.802  11.497   3.602
  278    HG   CYS  35           HG       CYS  35  16.649   9.319   2.460
  279    H    GLY  36           H        GLY  36  19.287  12.336   4.055
  280    HA2  GLY  36           HA2      GLY  36  21.227  10.918   2.476
  281    HA3  GLY  36           HA3      GLY  36  21.664  12.624   2.719
  282    H    LEU  37           H        LEU  37  23.305  10.696   3.626
  283    HA   LEU  37           HA       LEU  37  23.066   9.710   6.250
  284    HB2  LEU  37           HB2      LEU  37  25.468  10.815   4.745
  285    HB3  LEU  37           HB3      LEU  37  25.602  10.301   6.412
  286    HG   LEU  37           HG       LEU  37  24.903   8.027   5.873
  287   HD11  LEU  37          HD11      LEU  37  23.501   8.285   3.936
  288   HD12  LEU  37          HD12      LEU  37  24.826   8.999   2.982
  289   HD13  LEU  37          HD13      LEU  37  24.892   7.304   3.466
  290   HD21  LEU  37          HD21      LEU  37  26.956   7.363   4.703
  291   HD22  LEU  37          HD22      LEU  37  27.196   9.028   4.127
  292   HD23  LEU  37          HD23      LEU  37  27.296   8.655   5.860
  293    H    GLU  38           H        GLU  38  23.853  12.950   5.135
  294    HA   GLU  38           HA       GLU  38  22.788  14.130   7.544
  295    HB2  GLU  38           HB2      GLU  38  25.293  13.987   7.961
  296    HB3  GLU  38           HB3      GLU  38  25.523  14.990   6.513
  297    HG2  GLU  38           HG2      GLU  38  24.233  16.813   7.557
  298    HG3  GLU  38           HG3      GLU  38  23.892  15.796   8.957
  299    H    SER  39           H        SER  39  21.850  16.107   6.918
  300    HA   SER  39           HA       SER  39  21.205  16.277   4.090
  301    HB2  SER  39           HB2      SER  39  19.866  18.328   5.072
  302    HB3  SER  39           HB3      SER  39  19.368  16.673   5.431
  303    HG   SER  39           HG       SER  39  19.493  18.135   7.280
  304    H    SER  40           H        SER  40  21.411  18.133   2.782
  305    HA   SER  40           HA       SER  40  22.780  20.522   3.562
  306    HB2  SER  40           HB2      SER  40  24.042  18.646   1.500
  307    HB3  SER  40           HB3      SER  40  24.442  20.361   1.658
  308    HG   SER  40           HG       SER  40  24.507  18.816   3.972
  309    H    ARG  41           H        ARG  41  22.322  22.137   1.835
  310    HA   ARG  41           HA       ARG  41  19.681  21.952   1.068
  311    HB2  ARG  41           HB2      ARG  41  19.999  24.005  -0.178
  312    HB3  ARG  41           HB3      ARG  41  20.898  24.080   1.335
  313    HG2  ARG  41           HG2      ARG  41  23.011  23.588   0.101
  314    HG3  ARG  41           HG3      ARG  41  22.099  23.499  -1.419
  315    HD2  ARG  41           HD2      ARG  41  21.363  25.838  -1.123
  316    HD3  ARG  41           HD3      ARG  41  22.319  25.949   0.371
  317    HE   ARG  41           HE       ARG  41  24.116  25.086  -1.548
  318   HH11  ARG  41          HH11      ARG  41  22.029  27.933  -1.185
  319   HH12  ARG  41          HH12      ARG  41  23.044  28.976  -2.110
  320   HH21  ARG  41          HH21      ARG  41  25.476  26.473  -2.781
  321   HH22  ARG  41          HH22      ARG  41  25.051  28.122  -3.031
  322    H    VAL  42           H        VAL  42  18.596  21.751  -0.923
  323    HA   VAL  42           HA       VAL  42  19.640  19.799  -2.762
  324    HB   VAL  42           HB       VAL  42  17.372  19.706  -2.474
  325   HG11  VAL  42          HG11      VAL  42  17.122  22.682  -2.881
  326   HG12  VAL  42          HG12      VAL  42  15.757  21.542  -2.853
  327   HG13  VAL  42          HG13      VAL  42  16.768  21.713  -1.415
  328   HG21  VAL  42          HG21      VAL  42  18.146  19.564  -4.886
  329   HG22  VAL  42          HG22      VAL  42  16.434  20.004  -4.697
  330   HG23  VAL  42          HG23      VAL  42  17.647  21.242  -5.096
  331    H    HIS  43           H        HIS  43  20.581  20.140  -4.690
  332    HA   HIS  43           HA       HIS  43  22.070  22.601  -4.833
  333    HB2  HIS  43           HB2      HIS  43  22.786  20.108  -5.228
  334    HB3  HIS  43           HB3      HIS  43  22.145  20.332  -6.850
  335    HD1  HIS  43           HD1      HIS  43  23.838  21.572  -8.495
  336    HD2  HIS  43           HD2      HIS  43  24.780  21.905  -4.415
  337    HE1  HIS  43           HE1      HIS  43  26.081  22.778  -8.372
  338    HA   PRO  44           HA       PRO  44  19.278  24.513  -7.581
  339    HB2  PRO  44           HB2      PRO  44  20.680  26.610  -8.649
  340    HB3  PRO  44           HB3      PRO  44  20.291  26.496  -6.905
  341    HG2  PRO  44           HG2      PRO  44  22.886  25.773  -8.289
  342    HG3  PRO  44           HG3      PRO  44  22.653  26.698  -6.775
  343    HD2  PRO  44           HD2      PRO  44  23.251  24.009  -6.860
  344    HD3  PRO  44           HD3      PRO  44  22.303  24.748  -5.529
  345    H    THR  45           H        THR  45  22.412  23.896  -9.380
  346    HA   THR  45           HA       THR  45  21.170  24.051 -11.889
  347    HB   THR  45           HB       THR  45  23.505  22.311 -10.973
  348    HG1  THR  45           HG1      THR  45  24.774  24.126 -11.336
  349   HG21  THR  45          HG21      THR  45  24.481  22.745 -13.235
  350   HG22  THR  45          HG22      THR  45  23.040  21.739 -13.253
  351   HG23  THR  45          HG23      THR  45  22.910  23.445 -13.735
  352    H    ALA  46           H        ALA  46  20.964  21.489  -9.526
  353    HA   ALA  46           HA       ALA  46  20.193  19.260 -11.071
  354    HB1  ALA  46           HB1      ALA  46  20.462  19.570  -8.477
  355    HB2  ALA  46           HB2      ALA  46  18.759  20.185  -8.547
  356    HB3  ALA  46           HB3      ALA  46  19.140  18.527  -9.052
  357    H    ILE  47           H        ILE  47  18.357  22.190 -10.085
  358    HA   ILE  47           HA       ILE  47  15.800  21.348 -10.702
  359    HB   ILE  47           HB       ILE  47  17.159  24.068 -10.923
  360   HG12  ILE  47          HG12      ILE  47  15.442  23.095  -8.603
  361   HG13  ILE  47          HG13      ILE  47  17.179  22.858  -8.609
  362   HG21  ILE  47          HG21      ILE  47  14.934  25.064 -10.703
  363   HG22  ILE  47          HG22      ILE  47  15.103  24.120 -12.171
  364   HG23  ILE  47          HG23      ILE  47  14.219  23.435 -10.792
  365   HD11  ILE  47          HD11      ILE  47  16.690  24.842  -7.349
  366   HD12  ILE  47          HD12      ILE  47  17.550  25.298  -8.848
  367   HD13  ILE  47          HD13      ILE  47  15.809  25.568  -8.697
  368    H    ALA  48           H        ALA  48  18.452  22.722 -12.681
  369    HA   ALA  48           HA       ALA  48  16.870  23.405 -14.912
  370    HB1  ALA  48           HB1      ALA  48  19.051  24.476 -14.297
  371    HB2  ALA  48           HB2      ALA  48  19.883  22.970 -14.716
  372    HB3  ALA  48           HB3      ALA  48  19.024  23.877 -15.976
  373    H    MET  49           H        MET  49  18.941  20.651 -14.075
  374    HA   MET  49           HA       MET  49  18.784  19.295 -16.532
  375    HB2  MET  49           HB2      MET  49  19.025  17.867 -13.906
  376    HB3  MET  49           HB3      MET  49  19.841  17.555 -15.459
  377    HG2  MET  49           HG2      MET  49  20.471  19.469 -13.279
  378    HG3  MET  49           HG3      MET  49  21.472  18.294 -14.065
  379    HE1  MET  49           HE1      MET  49  22.530  18.827 -16.683
  380    HE2  MET  49           HE2      MET  49  20.869  19.231 -17.204
  381    HE3  MET  49           HE3      MET  49  22.208  20.364 -17.502
  382    H    MET  50           H        MET  50  16.747  19.054 -13.602
  383    HA   MET  50           HA       MET  50  14.998  17.002 -14.638
  384    HB2  MET  50           HB2      MET  50  14.702  19.032 -12.373
  385    HB3  MET  50           HB3      MET  50  13.514  17.786 -12.766
  386    HG2  MET  50           HG2      MET  50  15.825  16.278 -12.718
  387    HG3  MET  50           HG3      MET  50  16.226  17.520 -11.554
  388    HE1  MET  50           HE1      MET  50  13.691  14.091 -11.808
  389    HE2  MET  50           HE2      MET  50  12.357  15.220 -11.529
  390    HE3  MET  50           HE3      MET  50  13.469  15.486 -12.892
  391    H    GLU  51           H        GLU  51  14.985  20.597 -14.711
  392    HA   GLU  51           HA       GLU  51  12.491  20.854 -16.036
  393    HB2  GLU  51           HB2      GLU  51  15.003  22.483 -15.815
  394    HB3  GLU  51           HB3      GLU  51  13.765  23.016 -16.931
  395    HG2  GLU  51           HG2      GLU  51  13.244  22.491 -13.969
  396    HG3  GLU  51           HG3      GLU  51  13.704  24.055 -14.627
  397    H    GLU  52           H        GLU  52  15.635  19.796 -17.279
  398    HA   GLU  52           HA       GLU  52  14.964  20.157 -20.036
  399    HB2  GLU  52           HB2      GLU  52  16.711  17.940 -18.927
  400    HB3  GLU  52           HB3      GLU  52  16.644  18.509 -20.586
  401    HG2  GLU  52           HG2      GLU  52  17.288  20.862 -19.568
  402    HG3  GLU  52           HG3      GLU  52  17.831  19.895 -18.201
  403    H    VAL  53           H        VAL  53  14.387  17.610 -17.629
  404    HA   VAL  53           HA       VAL  53  13.060  15.904 -19.665
  405    HB   VAL  53           HB       VAL  53  13.269  15.630 -16.657
  406   HG11  VAL  53          HG11      VAL  53  12.204  13.653 -18.732
  407   HG12  VAL  53          HG12      VAL  53  12.561  13.253 -17.039
  408   HG13  VAL  53          HG13      VAL  53  11.275  14.396 -17.414
  409   HG21  VAL  53          HG21      VAL  53  14.686  14.222 -18.980
  410   HG22  VAL  53          HG22      VAL  53  15.425  15.402 -17.890
  411   HG23  VAL  53          HG23      VAL  53  14.908  13.829 -17.269
  412    H    GLY  54           H        GLY  54  12.130  18.450 -17.454
  413    HA2  GLY  54           HA2      GLY  54  10.170  19.756 -17.999
  414    HA3  GLY  54           HA3      GLY  54   9.297  18.275 -18.415
  415    H    ILE  55           H        ILE  55  11.431  18.509 -15.597
  416    HA   ILE  55           HA       ILE  55   9.079  18.467 -13.745
  417    HB   ILE  55           HB       ILE  55  11.576  16.763 -13.540
  418   HG12  ILE  55          HG12      ILE  55   8.847  15.528 -13.986
  419   HG13  ILE  55          HG13      ILE  55   9.730  16.099 -15.387
  420   HG21  ILE  55          HG21      ILE  55  10.096  15.497 -11.811
  421   HG22  ILE  55          HG22      ILE  55  10.771  17.026 -11.301
  422   HG23  ILE  55          HG23      ILE  55   9.063  16.922 -11.821
  423   HD11  ILE  55          HD11      ILE  55  10.843  14.092 -13.416
  424   HD12  ILE  55          HD12      ILE  55  10.251  13.781 -15.062
  425   HD13  ILE  55          HD13      ILE  55  11.683  14.802 -14.820
  426    H    ASP  56           H        ASP  56  10.242  18.819 -11.340
  427    HA   ASP  56           HA       ASP  56  12.212  21.026 -11.500
  428    HB2  ASP  56           HB2      ASP  56  10.094  22.194 -11.662
  429    HB3  ASP  56           HB3      ASP  56   9.379  21.184 -10.394
  430    H    ILE  57           H        ILE  57  13.210  21.394  -9.457
  431    HA   ILE  57           HA       ILE  57  12.427  19.645  -7.225
  432    HB   ILE  57           HB       ILE  57  15.282  20.239  -7.254
  433   HG12  ILE  57          HG12      ILE  57  14.309  18.131  -9.206
  434   HG13  ILE  57          HG13      ILE  57  15.137  19.616  -9.657
  435   HG21  ILE  57          HG21      ILE  57  15.339  17.938  -6.327
  436   HG22  ILE  57          HG22      ILE  57  14.151  18.929  -5.542
  437   HG23  ILE  57          HG23      ILE  57  13.644  17.732  -6.780
  438   HD11  ILE  57          HD11      ILE  57  16.908  18.156  -9.612
  439   HD12  ILE  57          HD12      ILE  57  16.981  18.800  -7.955
  440   HD13  ILE  57          HD13      ILE  57  16.253  17.212  -8.257
  441    H    SER  58           H        SER  58  13.234  22.840  -8.290
  442    HA   SER  58           HA       SER  58  13.975  24.229  -6.061
  443    HB2  SER  58           HB2      SER  58  11.586  25.196  -7.637
  444    HB3  SER  58           HB3      SER  58  12.970  26.110  -7.017
  445    HG   SER  58           HG       SER  58  12.720  24.388  -9.234
  446    H    GLY  59           H        GLY  59  10.731  22.835  -6.689
  447    HA2  GLY  59           HA2      GLY  59   9.380  24.197  -4.575
  448    HA3  GLY  59           HA3      GLY  59   8.784  22.842  -5.540
  449    H    GLN  60           H        GLN  60  11.557  21.547  -4.287
  450    HA   GLN  60           HA       GLN  60  10.321  20.732  -1.745
  451    HB2  GLN  60           HB2      GLN  60  10.971  18.448  -2.179
  452    HB3  GLN  60           HB3      GLN  60   9.937  19.079  -3.480
  453    HG2  GLN  60           HG2      GLN  60  11.910  19.364  -4.921
  454    HG3  GLN  60           HG3      GLN  60  12.950  18.749  -3.632
  455   HE21  GLN  60          HE22      GLN  60  13.665  16.795  -4.382
  456   HE22  GLN  60          HE21      GLN  60  12.647  15.553  -5.087
  457    H    THR  61           H        THR  61  11.961  19.624  -0.288
  458    HA   THR  61           HA       THR  61  14.519  21.129  -0.321
  459    HB   THR  61           HB       THR  61  14.080  21.219   2.196
  460    HG1  THR  61           HG1      THR  61  12.460  19.719   2.472
  461   HG21  THR  61          HG21      THR  61  13.689  23.126   0.659
  462   HG22  THR  61          HG22      THR  61  12.019  22.559   0.400
  463   HG23  THR  61          HG23      THR  61  12.542  23.107   2.013
  464    H    SER  62           H        SER  62  16.098  20.263   1.282
  465    HA   SER  62           HA       SER  62  16.382  17.310   1.063
  466    HB2  SER  62           HB2      SER  62  18.218  19.664   1.569
  467    HB3  SER  62           HB3      SER  62  18.713  18.001   1.974
  468    HG   SER  62           HG       SER  62  19.360  18.657  -0.076
  469    H    ASP  63           H        ASP  63  17.005  16.098   2.950
  470    HA   ASP  63           HA       ASP  63  16.239  17.192   5.602
  471    HB2  ASP  63           HB2      ASP  63  14.164  16.445   4.097
  472    HB3  ASP  63           HB3      ASP  63  14.702  14.817   4.511
  473    HA   PRO  64           HA       PRO  64  19.188  13.943   6.437
  474    HB2  PRO  64           HB2      PRO  64  19.131  13.712   9.149
  475    HB3  PRO  64           HB3      PRO  64  19.725  15.185   8.328
  476    HG2  PRO  64           HG2      PRO  64  16.989  14.690   9.530
  477    HG3  PRO  64           HG3      PRO  64  18.039  16.128   9.720
  478    HD2  PRO  64           HD2      PRO  64  15.973  15.981   7.911
  479    HD3  PRO  64           HD3      PRO  64  17.443  16.955   7.609
  480    H    ILE  65           H        ILE  65  19.322  11.739   6.668
  481    HA   ILE  65           HA       ILE  65  17.131  10.029   6.477
  482    HB   ILE  65           HB       ILE  65  19.394   9.467   5.879
  483   HG12  ILE  65          HG12      ILE  65  18.529   7.464   7.997
  484   HG13  ILE  65          HG13      ILE  65  17.577   7.740   6.531
  485   HG21  ILE  65          HG21      ILE  65  20.073   9.149   8.843
  486   HG22  ILE  65          HG22      ILE  65  21.138   8.843   7.466
  487   HG23  ILE  65          HG23      ILE  65  20.637  10.487   7.823
  488   HD11  ILE  65          HD11      ILE  65  19.384   7.118   5.113
  489   HD12  ILE  65          HD12      ILE  65  20.513   6.934   6.485
  490   HD13  ILE  65          HD13      ILE  65  19.146   5.835   6.303
  491    H    GLU  66           H        GLU  66  18.676  11.283   9.379
  492    HA   GLU  66           HA       GLU  66  17.733   9.597  11.348
  493    HB2  GLU  66           HB2      GLU  66  18.076  12.610  11.639
  494    HB3  GLU  66           HB3      GLU  66  18.277  11.372  12.881
  495    HG2  GLU  66           HG2      GLU  66  20.227  10.468  11.465
  496    HG3  GLU  66           HG3      GLU  66  20.093  11.942  10.493
  497    H    ASN  67           H        ASN  67  15.885  11.946   9.530
  498    HA   ASN  67           HA       ASN  67  13.872  12.389  11.593
  499    HB2  ASN  67           HB2      ASN  67  14.661  14.108   9.923
  500    HB3  ASN  67           HB3      ASN  67  13.889  13.150   8.660
  501   HD21  ASN  67          HD22      ASN  67  12.505  14.853   8.110
  502   HD22  ASN  67          HD21      ASN  67  11.135  15.332   9.118
  503    H    PHE  68           H        PHE  68  14.383   9.772   9.392
  504    HA   PHE  68           HA       PHE  68  11.496   9.049   9.510
  505    HB2  PHE  68           HB2      PHE  68  13.543   8.607   7.307
  506    HB3  PHE  68           HB3      PHE  68  11.937   7.872   7.378
  507    HD1  PHE  68           HD1      PHE  68  13.779  11.031   6.768
  508    HD2  PHE  68           HD2      PHE  68   9.938   9.070   6.870
  509    HE1  PHE  68           HE1      PHE  68  12.760  12.952   5.575
  510    HE2  PHE  68           HE2      PHE  68   8.908  11.033   5.736
  511    HZ   PHE  68           HZ       PHE  68  10.322  12.978   5.090
  512    H    ASN  69           H        ASN  69  11.567   6.544   8.752
  513    HA   ASN  69           HA       ASN  69  13.509   5.007  10.360
  514    HB2  ASN  69           HB2      ASN  69  11.453   3.569  11.047
  515    HB3  ASN  69           HB3      ASN  69  11.844   5.022  11.961
  516   HD21  ASN  69          HD22      ASN  69  10.055   4.838   8.797
  517   HD22  ASN  69          HD21      ASN  69   8.580   5.525   9.455
  518    H    ALA  70           H        ALA  70  14.212   3.354   9.236
  519    HA   ALA  70           HA       ALA  70  13.661   2.925   6.558
  520    HB1  ALA  70           HB1      ALA  70  15.728   2.172   7.848
  521    HB2  ALA  70           HB2      ALA  70  14.760   0.855   8.537
  522    HB3  ALA  70           HB3      ALA  70  15.063   0.915   6.789
  523    H    ASP  71           H        ASP  71  12.017   1.476   9.311
  524    HA   ASP  71           HA       ASP  71  10.987  -0.844   8.117
  525    HB2  ASP  71           HB2      ASP  71  10.957  -0.387  10.528
  526    HB3  ASP  71           HB3      ASP  71   9.817   0.939  10.285
  527    H    ASP  72           H        ASP  72  10.083   2.488   7.520
  528    HA   ASP  72           HA       ASP  72   7.382   1.822   6.643
  529    HB2  ASP  72           HB2      ASP  72   7.882   3.899   7.888
  530    HB3  ASP  72           HB3      ASP  72   8.918   4.440   6.559
  531    H    TYR  73           H        TYR  73  10.555   1.716   5.296
  532    HA   TYR  73           HA       TYR  73   9.621   2.363   2.620
  533    HB2  TYR  73           HB2      TYR  73  12.358   2.480   3.893
  534    HB3  TYR  73           HB3      TYR  73  12.063   2.699   2.167
  535    HD1  TYR  73           HD1      TYR  73  10.717   4.615   1.330
  536    HD2  TYR  73           HD2      TYR  73  11.760   4.255   5.492
  537    HE1  TYR  73           HE1      TYR  73  10.037   6.954   1.689
  538    HE2  TYR  73           HE2      TYR  73  11.126   6.631   5.878
  539    HH   TYR  73           HH       TYR  73   9.887   8.685   3.174
  540    H    ASP  74           H        ASP  74   9.622   0.854   1.066
  541    HA   ASP  74           HA       ASP  74  10.112  -1.948   1.781
  542    HB2  ASP  74           HB2      ASP  74   8.177  -1.288   0.359
  543    HB3  ASP  74           HB3      ASP  74   9.284  -0.640  -0.843
  544    H    VAL  75           H        VAL  75  11.482   0.647  -0.252
  545    HA   VAL  75           HA       VAL  75  13.858  -1.068  -0.785
  546    HB   VAL  75           HB       VAL  75  12.612  -1.318  -2.635
  547   HG11  VAL  75          HG11      VAL  75  11.870   1.519  -2.995
  548   HG12  VAL  75          HG12      VAL  75  11.465   0.177  -4.047
  549   HG13  VAL  75          HG13      VAL  75  10.780   0.231  -2.430
  550   HG21  VAL  75          HG21      VAL  75  14.259   1.044  -3.554
  551   HG22  VAL  75          HG22      VAL  75  14.983  -0.499  -3.092
  552   HG23  VAL  75          HG23      VAL  75  13.854  -0.436  -4.453
  553    H    VAL  76           H        VAL  76  15.801  -0.196  -0.615
  554    HA   VAL  76           HA       VAL  76  15.955   2.707  -0.006
  555    HB   VAL  76           HB       VAL  76  17.762   1.849   1.593
  556   HG11  VAL  76          HG11      VAL  76  15.671   2.913   2.242
  557   HG12  VAL  76          HG12      VAL  76  14.811   1.362   2.173
  558   HG13  VAL  76          HG13      VAL  76  16.087   1.625   3.386
  559   HG21  VAL  76          HG21      VAL  76  16.107  -0.704   1.451
  560   HG22  VAL  76          HG22      VAL  76  17.796  -0.544   0.945
  561   HG23  VAL  76          HG23      VAL  76  17.347  -0.347   2.646
  562    H    ILE  77           H        ILE  77  16.992   3.702  -1.495
  563    HA   ILE  77           HA       ILE  77  19.172   2.360  -2.986
  564    HB   ILE  77           HB       ILE  77  17.320   4.657  -3.716
  565   HG12  ILE  77          HG12      ILE  77  16.092   2.602  -3.852
  566   HG13  ILE  77          HG13      ILE  77  16.507   3.135  -5.475
  567   HG21  ILE  77          HG21      ILE  77  19.506   5.041  -4.720
  568   HG22  ILE  77          HG22      ILE  77  19.580   3.374  -5.301
  569   HG23  ILE  77          HG23      ILE  77  18.373   4.516  -5.952
  570   HD11  ILE  77          HD11      ILE  77  16.741   0.691  -5.224
  571   HD12  ILE  77          HD12      ILE  77  18.283   1.460  -5.633
  572   HD13  ILE  77          HD13      ILE  77  17.975   0.924  -3.969
  573    H    SER  78           H        SER  78  20.963   2.776  -1.925
  574    HA   SER  78           HA       SER  78  21.476   5.485  -0.871
  575    HB2  SER  78           HB2      SER  78  23.130   2.953  -0.963
  576    HB3  SER  78           HB3      SER  78  23.764   4.551  -0.464
  577    HG   SER  78           HG       SER  78  21.429   3.376   0.620
  578    H    LEU  79           H        LEU  79  23.127   6.748  -1.857
  579    HA   LEU  79           HA       LEU  79  24.267   6.071  -4.424
  580    HB2  LEU  79           HB2      LEU  79  23.199   8.558  -5.096
  581    HB3  LEU  79           HB3      LEU  79  22.838   7.024  -5.778
  582    HG   LEU  79           HG       LEU  79  20.929   6.866  -3.936
  583   HD11  LEU  79          HD11      LEU  79  21.321   9.860  -4.137
  584   HD12  LEU  79          HD12      LEU  79  20.118   8.983  -3.166
  585   HD13  LEU  79          HD13      LEU  79  21.842   8.890  -2.777
  586   HD21  LEU  79          HD21      LEU  79  20.798   8.728  -6.346
  587   HD22  LEU  79          HD22      LEU  79  20.427   6.993  -6.290
  588   HD23  LEU  79          HD23      LEU  79  19.398   8.142  -5.428
  589    H    CYS  80           H        CYS  80  25.787   6.059  -2.625
  590    HA   CYS  80           HA       CYS  80  26.474   8.757  -1.563
  591    HB2  CYS  80           HB2      CYS  80  27.134   5.966  -0.590
  592    HB3  CYS  80           HB3      CYS  80  27.611   7.476   0.218
  593    HG   CYS  80           HG       CYS  80  25.569   6.275   1.438
  594    H    GLY  81           H        GLY  81  28.104   5.848  -3.012
  595    HA2  GLY  81           HA2      GLY  81  29.381   6.809  -5.057
  596    HA3  GLY  81           HA3      GLY  81  30.310   7.706  -3.869
  597    H    CYS  82           H        CYS  82  31.854   6.673  -2.633
  598    HA   CYS  82           HA       CYS  82  33.115   4.483  -3.958
  599    HB2  CYS  82           HB2      CYS  82  33.896   5.925  -1.382
  600    HB3  CYS  82           HB3      CYS  82  34.957   4.961  -2.416
  601    HG   CYS  82           HG       CYS  82  35.515   7.492  -2.733
  602    H    GLY  83           H        GLY  83  30.715   3.434  -2.944
  603    HA2  GLY  83           HA2      GLY  83  29.886   1.660  -1.830
  604    HA3  GLY  83           HA3      GLY  83  31.525   1.206  -1.294
  605    H    VAL  84           H        VAL  84  30.472   4.421  -0.591
  606    HA   VAL  84           HA       VAL  84  30.383   4.097   2.253
  607    HB   VAL  84           HB       VAL  84  29.557   6.339   0.432
  608   HG11  VAL  84          HG11      VAL  84  29.401   7.738   2.496
  609   HG12  VAL  84          HG12      VAL  84  28.169   6.471   2.486
  610   HG13  VAL  84          HG13      VAL  84  29.625   6.285   3.487
  611   HG21  VAL  84          HG21      VAL  84  31.544   7.455   1.360
  612   HG22  VAL  84          HG22      VAL  84  31.915   6.005   2.314
  613   HG23  VAL  84          HG23      VAL  84  31.974   5.950   0.541
  614    H    ASN  85           H        ASN  85  28.658   3.394   3.434
  615    HA   ASN  85           HA       ASN  85  26.097   2.817   2.090
  616    HB2  ASN  85           HB2      ASN  85  26.090   0.496   2.773
  617    HB3  ASN  85           HB3      ASN  85  27.444   0.829   1.710
  618   HD21  ASN  85          HD22      ASN  85  29.503   1.208   2.656
  619   HD22  ASN  85          HD21      ASN  85  29.978   0.441   4.178
  620    H    LEU  86           H        LEU  86  24.765   1.491   3.998
  621    HA   LEU  86           HA       LEU  86  24.637   3.544   6.154
  622    HB2  LEU  86           HB2      LEU  86  22.408   1.876   4.941
  623    HB3  LEU  86           HB3      LEU  86  22.247   3.174   6.121
  624    HG   LEU  86           HG       LEU  86  23.143   3.442   3.208
  625   HD11  LEU  86          HD11      LEU  86  20.637   4.446   4.620
  626   HD12  LEU  86          HD12      LEU  86  21.052   4.647   2.909
  627   HD13  LEU  86          HD13      LEU  86  20.726   3.032   3.533
  628   HD21  LEU  86          HD21      LEU  86  23.057   5.866   3.570
  629   HD22  LEU  86          HD22      LEU  86  22.801   5.622   5.316
  630   HD23  LEU  86          HD23      LEU  86  24.327   5.125   4.542
  631    HA   PRO  87           HA       PRO  87  25.465  -0.126   8.765
  632    HB2  PRO  87           HB2      PRO  87  25.209   2.062  10.823
  633    HB3  PRO  87           HB3      PRO  87  26.362   0.698  10.754
  634    HG2  PRO  87           HG2      PRO  87  27.128   3.196  10.006
  635    HG3  PRO  87           HG3      PRO  87  27.651   1.763   9.063
  636    HD2  PRO  87           HD2      PRO  87  25.423   3.708   8.442
  637    HD3  PRO  87           HD3      PRO  87  26.637   2.978   7.349
  638    HA   PRO  88           HA       PRO  88  21.346   0.575  11.107
  639    HB2  PRO  88           HB2      PRO  88  19.554   2.549  10.357
  640    HB3  PRO  88           HB3      PRO  88  20.875   2.788  11.532
  641    HG2  PRO  88           HG2      PRO  88  20.941   3.402   8.550
  642    HG3  PRO  88           HG3      PRO  88  21.352   4.492   9.918
  643    HD2  PRO  88           HD2      PRO  88  23.156   3.160   8.532
  644    HD3  PRO  88           HD3      PRO  88  23.336   3.297  10.309
  645    H    GLU  89           H        GLU  89  18.858   0.391  10.519
  646    HA   GLU  89           HA       GLU  89  18.634  -1.856   8.920
  647    HB2  GLU  89           HB2      GLU  89  16.453   0.068   9.808
  648    HB3  GLU  89           HB3      GLU  89  16.180  -1.589   9.267
  649    HG2  GLU  89           HG2      GLU  89  17.679  -0.718  11.757
  650    HG3  GLU  89           HG3      GLU  89  16.052  -1.380  11.675
  651    H    TRP  90           H        TRP  90  18.845   1.272   7.701
  652    HA   TRP  90           HA       TRP  90  17.228   1.058   5.353
  653    HB2  TRP  90           HB2      TRP  90  19.697   2.700   5.949
  654    HB3  TRP  90           HB3      TRP  90  18.546   2.995   4.643
  655    HD1  TRP  90           HD1      TRP  90  18.943   3.430   8.401
  656    HE1  TRP  90           HE1      TRP  90  17.396   5.223   9.220
  657    HE3  TRP  90           HE3      TRP  90  16.060   3.821   4.238
  658    HZ2  TRP  90           HZ2      TRP  90  14.976   6.555   8.245
  659    HZ3  TRP  90           HZ3      TRP  90  14.034   5.244   4.250
  660    HH2  TRP  90           HH2      TRP  90  13.490   6.614   6.226
  661    H    VAL  91           H        VAL  91  19.589  -0.993   6.226
  662    HA   VAL  91           HA       VAL  91  20.273  -1.522   3.415
  663    HB   VAL  91           HB       VAL  91  22.135  -0.692   4.915
  664   HG11  VAL  91          HG11      VAL  91  22.125  -3.530   6.028
  665   HG12  VAL  91          HG12      VAL  91  23.267  -2.229   6.400
  666   HG13  VAL  91          HG13      VAL  91  21.591  -2.095   6.931
  667   HG21  VAL  91          HG21      VAL  91  22.642  -3.341   3.532
  668   HG22  VAL  91          HG22      VAL  91  22.580  -1.744   2.757
  669   HG23  VAL  91          HG23      VAL  91  23.838  -2.099   3.948
  670    H    THR  92           H        THR  92  18.212  -2.550   5.796
  671    HA   THR  92           HA       THR  92  18.429  -5.381   4.980
  672    HB   THR  92           HB       THR  92  17.692  -5.911   7.327
  673    HG1  THR  92           HG1      THR  92  17.522  -4.349   8.786
  674   HG21  THR  92          HG21      THR  92  19.814  -5.595   8.414
  675   HG22  THR  92          HG22      THR  92  20.141  -5.911   6.700
  676   HG23  THR  92          HG23      THR  92  20.246  -4.253   7.343
  677    H    GLN  93           H        GLN  93  16.769  -3.194   3.908
  678    HA   GLN  93           HA       GLN  93  14.031  -4.225   4.458
  679    HB2  GLN  93           HB2      GLN  93  14.779  -1.947   2.611
  680    HB3  GLN  93           HB3      GLN  93  13.176  -2.415   3.161
  681    HG2  GLN  93           HG2      GLN  93  15.385  -1.161   4.815
  682    HG3  GLN  93           HG3      GLN  93  13.837  -0.459   4.396
  683   HE21  GLN  93          HE22      GLN  93  15.465  -1.779   6.942
  684   HE22  GLN  93          HE21      GLN  93  14.129  -2.463   7.850
  685    H    GLU  94           H        GLU  94  12.881  -4.080   1.930
  686    HA   GLU  94           HA       GLU  94  13.604  -6.699   1.112
  687    HB2  GLU  94           HB2      GLU  94  11.748  -4.670  -0.173
  688    HB3  GLU  94           HB3      GLU  94  11.839  -6.370  -0.621
  689    HG2  GLU  94           HG2      GLU  94  10.968  -5.270   2.086
  690    HG3  GLU  94           HG3      GLU  94   9.928  -5.966   0.851
  691    H    ILE  95           H        ILE  95  14.439  -3.538  -0.260
  692    HA   ILE  95           HA       ILE  95  16.223  -4.948  -2.221
  693    HB   ILE  95           HB       ILE  95  14.354  -2.658  -2.697
  694   HG12  ILE  95          HG12      ILE  95  14.479  -5.532  -3.651
  695   HG13  ILE  95          HG13      ILE  95  13.138  -4.666  -2.885
  696   HG21  ILE  95          HG21      ILE  95  16.475  -3.816  -4.591
  697   HG22  ILE  95          HG22      ILE  95  15.328  -2.518  -4.994
  698   HG23  ILE  95          HG23      ILE  95  16.574  -2.223  -3.809
  699   HD11  ILE  95          HD11      ILE  95  12.956  -3.284  -4.986
  700   HD12  ILE  95          HD12      ILE  95  14.150  -4.400  -5.713
  701   HD13  ILE  95          HD13      ILE  95  12.580  -5.018  -5.169
  702    H    PHE  96           H        PHE  96  18.304  -3.994  -2.225
  703    HA   PHE  96           HA       PHE  96  18.627  -1.306  -1.214
  704    HB2  PHE  96           HB2      PHE  96  19.254  -2.561   0.772
  705    HB3  PHE  96           HB3      PHE  96  20.245  -3.662  -0.186
  706    HD1  PHE  96           HD1      PHE  96  22.441  -2.952  -1.104
  707    HD2  PHE  96           HD2      PHE  96  20.010  -0.208   1.175
  708    HE1  PHE  96           HE1      PHE  96  24.281  -1.276  -1.141
  709    HE2  PHE  96           HE2      PHE  96  21.904   1.384   1.247
  710    HZ   PHE  96           HZ       PHE  96  24.035   0.859   0.106
  711    H    GLU  97           H        GLU  97  20.108  -0.221  -2.421
  712    HA   GLU  97           HA       GLU  97  22.188  -1.606  -3.914
  713    HB2  GLU  97           HB2      GLU  97  20.078   0.129  -5.279
  714    HB3  GLU  97           HB3      GLU  97  21.707  -0.078  -5.924
  715    HG2  GLU  97           HG2      GLU  97  21.403  -2.514  -5.965
  716    HG3  GLU  97           HG3      GLU  97  19.692  -2.300  -5.525
  717    H    ASP  98           H        ASP  98  23.811  -0.086  -4.502
  718    HA   ASP  98           HA       ASP  98  23.614   2.632  -3.384
  719    HB2  ASP  98           HB2      ASP  98  25.138   1.524  -1.910
  720    HB3  ASP  98           HB3      ASP  98  26.079   0.908  -3.274
  721    H    TRP  99           H        TRP  99  23.123   3.689  -5.234
  722    HA   TRP  99           HA       TRP  99  24.296   3.052  -7.839
  723    HB2  TRP  99           HB2      TRP  99  22.542   5.369  -6.995
  724    HB3  TRP  99           HB3      TRP  99  22.976   4.898  -8.617
  725    HD1  TRP  99           HD1      TRP  99  22.118   1.672  -7.254
  726    HE1  TRP  99           HE1      TRP  99  19.695   1.054  -7.763
  727    HE3  TRP  99           HE3      TRP  99  20.432   6.312  -8.530
  728    HZ2  TRP  99           HZ2      TRP  99  17.204   2.505  -8.439
  729    HZ3  TRP  99           HZ3      TRP  99  18.034   6.692  -9.024
  730    HH2  TRP  99           HH2      TRP  99  16.445   4.815  -8.957
  731    H    GLN 100           H        GLN 100  26.468   3.256  -7.603
  732    HA   GLN 100           HA       GLN 100  27.844   5.581  -6.692
  733    HB2  GLN 100           HB2      GLN 100  28.803   3.337  -6.834
  734    HB3  GLN 100           HB3      GLN 100  28.647   3.334  -8.591
  735    HG2  GLN 100           HG2      GLN 100  30.292   5.149  -8.784
  736    HG3  GLN 100           HG3      GLN 100  30.350   5.332  -7.029
  737   HE21  GLN 100          HE22      GLN 100  31.107   3.406  -5.753
  738   HE22  GLN 100          HE21      GLN 100  32.302   2.332  -6.472
  739    H    LEU 101           H        LEU 101  26.999   7.446  -7.590
  740    HA   LEU 101           HA       LEU 101  27.440   7.923 -10.506
  741    HB2  LEU 101           HB2      LEU 101  25.242   8.758  -8.580
  742    HB3  LEU 101           HB3      LEU 101  25.670   9.836  -9.880
  743    HG   LEU 101           HG       LEU 101  23.814   8.678 -10.619
  744   HD11  LEU 101          HD11      LEU 101  25.590   8.764 -12.385
  745   HD12  LEU 101          HD12      LEU 101  26.059   7.104 -11.946
  746   HD13  LEU 101          HD13      LEU 101  24.450   7.428 -12.576
  747   HD21  LEU 101          HD21      LEU 101  25.035   6.000  -9.954
  748   HD22  LEU 101          HD22      LEU 101  23.859   6.896  -8.957
  749   HD23  LEU 101          HD23      LEU 101  23.408   6.341 -10.576
  750    H    GLU 102           H        GLU 102  28.088  10.040 -11.071
  751    HA   GLU 102           HA       GLU 102  29.985  11.192  -9.271
  752    HB2  GLU 102           HB2      GLU 102  29.222  11.831 -12.154
  753    HB3  GLU 102           HB3      GLU 102  30.543  12.618 -11.275
  754    HG2  GLU 102           HG2      GLU 102  31.620  10.392 -10.931
  755    HG3  GLU 102           HG3      GLU 102  30.351   9.640 -11.898
  756    H    ASP 103           H        ASP 103  28.306  11.588  -7.796
  757    HA   ASP 103           HA       ASP 103  26.501  13.208  -7.106
  758    HB2  ASP 103           HB2      ASP 103  28.284  12.298  -5.713
  759    HB3  ASP 103           HB3      ASP 103  29.306  13.675  -6.064
  760    HA   PRO 104           HA       PRO 104  27.265  16.531 -10.037
  761    HB2  PRO 104           HB2      PRO 104  24.425  17.181  -9.337
  762    HB3  PRO 104           HB3      PRO 104  25.259  17.137 -10.937
  763    HG2  PRO 104           HG2      PRO 104  23.718  15.053 -10.111
  764    HG3  PRO 104           HG3      PRO 104  25.257  14.812 -11.006
  765    HD2  PRO 104           HD2      PRO 104  24.729  14.481  -8.058
  766    HD3  PRO 104           HD3      PRO 104  25.792  13.541  -9.158
  767    H    ASP 105           H        ASP 105  26.917  17.022  -6.706
  768    HA   ASP 105           HA       ASP 105  26.478  19.804  -6.475
  769    HB2  ASP 105           HB2      ASP 105  26.497  18.233  -4.600
  770    HB3  ASP 105           HB3      ASP 105  28.242  18.019  -4.773
  771    H    GLY 106           H        GLY 106  27.444  20.981  -8.035
  772    HA2  GLY 106           HA2      GLY 106  28.958  22.744  -8.288
  773    HA3  GLY 106           HA3      GLY 106  30.196  21.835  -7.414
  774    H    GLN 107           H        GLN 107  28.503  20.091  -9.966
  775    HA   GLN 107           HA       GLN 107  31.099  19.872 -11.328
  776    HB2  GLN 107           HB2      GLN 107  28.567  18.306 -11.860
  777    HB3  GLN 107           HB3      GLN 107  30.226  17.864 -12.279
  778    HG2  GLN 107           HG2      GLN 107  29.139  18.077  -9.458
  779    HG3  GLN 107           HG3      GLN 107  29.281  16.597 -10.415
  780   HE21  GLN 107          HE22      GLN 107  30.336  16.165  -8.229
  781   HE22  GLN 107          HE21      GLN 107  32.094  16.315  -8.202
  782    H    SER 108           H        SER 108  30.768  19.226 -13.776
  783    HA   SER 108           HA       SER 108  29.966  21.601 -15.237
  784    HB2  SER 108           HB2      SER 108  30.974  18.839 -16.055
  785    HB3  SER 108           HB3      SER 108  30.892  20.261 -17.124
  786    HG   SER 108           HG       SER 108  32.991  19.954 -16.245
  787    H    LEU 109           H        LEU 109  28.353  21.569 -16.967
  788    HA   LEU 109           HA       LEU 109  25.924  20.319 -16.315
  789    HB2  LEU 109           HB2      LEU 109  26.850  21.320 -19.030
  790    HB3  LEU 109           HB3      LEU 109  25.189  20.872 -18.634
  791    HG   LEU 109           HG       LEU 109  26.749  23.118 -17.296
  792   HD11  LEU 109          HD11      LEU 109  26.187  23.602 -19.653
  793   HD12  LEU 109          HD12      LEU 109  24.481  23.216 -19.337
  794   HD13  LEU 109          HD13      LEU 109  25.244  24.618 -18.553
  795   HD21  LEU 109          HD21      LEU 109  24.521  23.787 -16.369
  796   HD22  LEU 109          HD22      LEU 109  23.826  22.278 -16.998
  797   HD23  LEU 109          HD23      LEU 109  25.078  22.241 -15.736
  798    H    GLU 110           H        GLU 110  28.529  19.136 -18.420
  799    HA   GLU 110           HA       GLU 110  27.119  16.970 -19.550
  800    HB2  GLU 110           HB2      GLU 110  29.290  17.865 -20.315
  801    HB3  GLU 110           HB3      GLU 110  30.080  17.213 -18.872
  802    HG2  GLU 110           HG2      GLU 110  29.478  14.910 -19.567
  803    HG3  GLU 110           HG3      GLU 110  28.600  15.546 -20.960
  804    H    VAL 111           H        VAL 111  28.807  17.249 -16.386
  805    HA   VAL 111           HA       VAL 111  28.562  14.440 -15.683
  806    HB   VAL 111           HB       VAL 111  28.957  16.914 -13.990
  807   HG11  VAL 111          HG11      VAL 111  29.166  13.967 -13.284
  808   HG12  VAL 111          HG12      VAL 111  29.847  15.262 -12.286
  809   HG13  VAL 111          HG13      VAL 111  28.102  15.186 -12.543
  810   HG21  VAL 111          HG21      VAL 111  31.337  16.204 -13.908
  811   HG22  VAL 111          HG22      VAL 111  30.972  14.858 -15.008
  812   HG23  VAL 111          HG23      VAL 111  30.841  16.535 -15.570
  813    H    PHE 112           H        PHE 112  26.741  17.463 -14.982
  814    HA   PHE 112           HA       PHE 112  24.667  16.372 -13.430
  815    HB2  PHE 112           HB2      PHE 112  24.958  18.751 -15.252
  816    HB3  PHE 112           HB3      PHE 112  23.365  18.283 -14.768
  817    HD1  PHE 112           HD2      PHE 112  22.716  18.180 -12.319
  818    HD2  PHE 112           HD1      PHE 112  26.401  19.940 -13.726
  819    HE1  PHE 112           HE2      PHE 112  22.970  19.387 -10.170
  820    HE2  PHE 112           HE1      PHE 112  26.670  21.088 -11.548
  821    HZ   PHE 112           HZ       PHE 112  25.015  20.737  -9.765
  822    H    ARG 113           H        ARG 113  24.656  16.871 -17.021
  823    HA   ARG 113           HA       ARG 113  22.184  15.577 -17.472
  824    HB2  ARG 113           HB2      ARG 113  24.612  16.233 -19.165
  825    HB3  ARG 113           HB3      ARG 113  23.346  15.215 -19.851
  826    HG2  ARG 113           HG2      ARG 113  21.788  16.863 -19.937
  827    HG3  ARG 113           HG3      ARG 113  22.358  17.663 -18.477
  828    HD2  ARG 113           HD2      ARG 113  24.151  18.727 -19.627
  829    HD3  ARG 113           HD3      ARG 113  23.797  17.828 -21.130
  830    HE   ARG 113           HE       ARG 113  21.429  19.150 -20.371
  831   HH11  ARG 113          HH11      ARG 113  24.720  20.106 -21.371
  832   HH12  ARG 113          HH12      ARG 113  24.220  21.596 -22.078
  833   HH21  ARG 113          HH21      ARG 113  20.765  21.030 -21.396
  834   HH22  ARG 113          HH22      ARG 113  21.903  22.167 -22.075
  835    H    THR 114           H        THR 114  25.512  14.107 -17.367
  836    HA   THR 114           HA       THR 114  24.672  11.569 -18.265
  837    HB   THR 114           HB       THR 114  26.955  12.468 -16.439
  838    HG1  THR 114           HG1      THR 114  27.176  13.441 -18.357
  839   HG21  THR 114          HG21      THR 114  26.659  10.075 -16.241
  840   HG22  THR 114          HG22      THR 114  26.564   9.903 -18.014
  841   HG23  THR 114          HG23      THR 114  28.087  10.415 -17.234
  842    H    VAL 115           H        VAL 115  25.088  12.874 -14.888
  843    HA   VAL 115           HA       VAL 115  24.133  10.504 -13.653
  844    HB   VAL 115           HB       VAL 115  24.316  13.351 -12.721
  845   HG11  VAL 115          HG11      VAL 115  23.701  10.859 -11.097
  846   HG12  VAL 115          HG12      VAL 115  24.216  12.390 -10.376
  847   HG13  VAL 115          HG13      VAL 115  22.691  12.306 -11.258
  848   HG21  VAL 115          HG21      VAL 115  26.508  12.290 -13.241
  849   HG22  VAL 115          HG22      VAL 115  26.327  12.594 -11.517
  850   HG23  VAL 115          HG23      VAL 115  26.110  10.954 -12.150
  851    H    ARG 116           H        ARG 116  22.398  13.529 -14.624
  852    HA   ARG 116           HA       ARG 116  19.934  12.891 -13.445
  853    HB2  ARG 116           HB2      ARG 116  20.602  15.066 -14.336
  854    HB3  ARG 116           HB3      ARG 116  20.591  14.476 -15.982
  855    HG2  ARG 116           HG2      ARG 116  18.142  14.389 -14.199
  856    HG3  ARG 116           HG3      ARG 116  18.599  15.864 -14.959
  857    HD2  ARG 116           HD2      ARG 116  17.266  13.540 -16.175
  858    HD3  ARG 116           HD3      ARG 116  17.065  15.283 -16.456
  859    HE   ARG 116           HE       ARG 116  18.778  13.402 -17.877
  860   HH11  ARG 116          HH11      ARG 116  18.009  16.843 -17.400
  861   HH12  ARG 116          HH12      ARG 116  19.149  17.384 -18.603
  862   HH21  ARG 116          HH21      ARG 116  20.090  14.145 -19.621
  863   HH22  ARG 116          HH22      ARG 116  20.116  15.828 -20.009
  864    H    GLY 117           H        GLY 117  21.154  12.064 -16.723
  865    HA2  GLY 117           HA2      GLY 117  18.831  10.634 -17.538
  866    HA3  GLY 117           HA3      GLY 117  20.474  10.446 -18.206
  867    H    GLN 118           H        GLN 118  21.929   9.443 -15.988
  868    HA   GLN 118           HA       GLN 118  21.141   6.721 -16.040
  869    HB2  GLN 118           HB2      GLN 118  23.036   8.243 -14.211
  870    HB3  GLN 118           HB3      GLN 118  22.731   6.511 -14.082
  871    HG2  GLN 118           HG2      GLN 118  23.397   6.431 -16.624
  872    HG3  GLN 118           HG3      GLN 118  24.105   8.018 -16.302
  873   HE21  GLN 118          HE22      GLN 118  26.337   7.566 -16.299
  874   HE22  GLN 118          HE21      GLN 118  27.078   6.358 -15.281
  875    H    VAL 119           H        VAL 119  20.853   9.138 -13.418
  876    HA   VAL 119           HA       VAL 119  19.566   7.541 -11.522
  877    HB   VAL 119           HB       VAL 119  19.377  10.538 -12.075
  878   HG11  VAL 119          HG11      VAL 119  18.342   8.997  -9.667
  879   HG12  VAL 119          HG12      VAL 119  18.538  10.763  -9.756
  880   HG13  VAL 119          HG13      VAL 119  17.377   9.948 -10.812
  881   HG21  VAL 119          HG21      VAL 119  20.811   8.940  -9.876
  882   HG22  VAL 119          HG22      VAL 119  21.617   9.537 -11.327
  883   HG23  VAL 119          HG23      VAL 119  20.930  10.686 -10.173
  884    H    LYS 120           H        LYS 120  17.965   9.474 -14.204
  885    HA   LYS 120           HA       LYS 120  15.350   8.693 -13.385
  886    HB2  LYS 120           HB2      LYS 120  15.759  10.536 -14.961
  887    HB3  LYS 120           HB3      LYS 120  16.493   9.426 -16.125
  888    HG2  LYS 120           HG2      LYS 120  14.342   8.272 -16.437
  889    HG3  LYS 120           HG3      LYS 120  13.578   9.337 -15.235
  890    HD2  LYS 120           HD2      LYS 120  14.052  11.295 -16.644
  891    HD3  LYS 120           HD3      LYS 120  14.882  10.292 -17.834
  892    HE2  LYS 120           HE2      LYS 120  11.945   9.969 -17.054
  893    HE3  LYS 120           HE3      LYS 120  12.506  10.936 -18.420
  894    HZ1  LYS 120           HZ1      LYS 120  12.863   7.993 -18.142
  895    HZ2  LYS 120           HZ2      LYS 120  11.864   8.771 -19.170
  896    HZ3  LYS 120           HZ3      LYS 120  13.473   8.906 -19.367
  897    H    GLU 121           H        GLU 121  17.633   7.156 -15.642
  898    HA   GLU 121           HA       GLU 121  15.953   5.047 -16.485
  899    HB2  GLU 121           HB2      GLU 121  17.784   5.112 -17.834
  900    HB3  GLU 121           HB3      GLU 121  18.768   5.891 -16.593
  901    HG2  GLU 121           HG2      GLU 121  19.481   3.936 -15.622
  902    HG3  GLU 121           HG3      GLU 121  18.341   2.924 -16.543
  903    H    ARG 122           H        ARG 122  18.159   5.374 -13.708
  904    HA   ARG 122           HA       ARG 122  17.885   2.628 -12.864
  905    HB2  ARG 122           HB2      ARG 122  18.921   5.118 -11.482
  906    HB3  ARG 122           HB3      ARG 122  18.954   3.497 -10.771
  907    HG2  ARG 122           HG2      ARG 122  20.488   2.637 -12.317
  908    HG3  ARG 122           HG3      ARG 122  20.294   3.996 -13.427
  909    HD2  ARG 122           HD2      ARG 122  21.228   5.533 -11.723
  910    HD3  ARG 122           HD3      ARG 122  21.496   4.175 -10.627
  911    HE   ARG 122           HE       ARG 122  22.962   4.816 -13.126
  912   HH11  ARG 122          HH11      ARG 122  22.592   2.498 -10.456
  913   HH12  ARG 122          HH12      ARG 122  24.174   1.836 -10.650
  914   HH21  ARG 122          HH21      ARG 122  25.038   4.041 -13.320
  915   HH22  ARG 122          HH22      ARG 122  25.617   2.737 -12.328
  916    H    VAL 123           H        VAL 123  16.254   5.711 -11.648
  917    HA   VAL 123           HA       VAL 123  14.497   4.495  -9.908
  918    HB   VAL 123           HB       VAL 123  14.034   6.813 -11.814
  919   HG11  VAL 123          HG11      VAL 123  12.267   7.486 -10.262
  920   HG12  VAL 123          HG12      VAL 123  11.850   5.960 -11.032
  921   HG13  VAL 123          HG13      VAL 123  12.432   5.964  -9.355
  922   HG21  VAL 123          HG21      VAL 123  14.736   6.777  -8.847
  923   HG22  VAL 123          HG22      VAL 123  15.882   7.150 -10.122
  924   HG23  VAL 123          HG23      VAL 123  14.501   8.211  -9.857
  925    H    GLU 124           H        GLU 124  14.109   4.754 -13.541
  926    HA   GLU 124           HA       GLU 124  11.604   3.444 -13.568
  927    HB2  GLU 124           HB2      GLU 124  13.782   3.628 -15.698
  928    HB3  GLU 124           HB3      GLU 124  12.214   2.865 -15.974
  929    HG2  GLU 124           HG2      GLU 124  11.074   4.992 -15.390
  930    HG3  GLU 124           HG3      GLU 124  12.650   5.762 -15.176
  931    H    ASN 125           H        ASN 125  14.880   2.111 -13.651
  932    HA   ASN 125           HA       ASN 125  14.106  -0.610 -14.061
  933    HB2  ASN 125           HB2      ASN 125  16.598   0.729 -13.001
  934    HB3  ASN 125           HB3      ASN 125  16.379  -0.994 -12.751
  935   HD21  ASN 125          HD22      ASN 125  16.505   1.495 -15.339
  936   HD22  ASN 125          HD21      ASN 125  17.015   0.375 -16.588
  937    H    LEU 126           H        LEU 126  14.657   1.326 -11.113
  938    HA   LEU 126           HA       LEU 126  14.204  -0.846  -9.361
  939    HB2  LEU 126           HB2      LEU 126  14.817   0.478  -7.720
  940    HB3  LEU 126           HB3      LEU 126  15.218   1.603  -8.997
  941    HG   LEU 126           HG       LEU 126  12.764   2.442  -8.705
  942   HD11  LEU 126          HD11      LEU 126  11.800   2.188  -6.488
  943   HD12  LEU 126          HD12      LEU 126  12.152   0.546  -7.063
  944   HD13  LEU 126          HD13      LEU 126  13.228   1.306  -5.909
  945   HD21  LEU 126          HD21      LEU 126  14.597   3.064  -6.401
  946   HD22  LEU 126          HD22      LEU 126  14.912   3.630  -8.038
  947   HD23  LEU 126          HD23      LEU 126  13.413   4.100  -7.228
  948    H    ILE 127           H        ILE 127  11.915   1.623 -10.538
  949    HA   ILE 127           HA       ILE 127   9.581   0.672  -9.288
  950    HB   ILE 127           HB       ILE 127  10.111   1.985 -11.979
  951   HG12  ILE 127          HG12      ILE 127   8.728   3.100  -9.491
  952   HG13  ILE 127          HG13      ILE 127  10.463   3.266  -9.755
  953   HG21  ILE 127          HG21      ILE 127   7.458   1.239 -10.693
  954   HG22  ILE 127          HG22      ILE 127   7.601   2.432 -12.015
  955   HG23  ILE 127          HG23      ILE 127   8.066   0.759 -12.286
  956   HD11  ILE 127          HD11      ILE 127   9.988   4.492 -11.901
  957   HD12  ILE 127          HD12      ILE 127   8.260   4.478 -11.484
  958   HD13  ILE 127          HD13      ILE 127   9.410   5.313 -10.440
  959    H    ALA 128           H        ALA 128  11.302  -0.581 -12.208
  960    HA   ALA 128           HA       ALA 128   9.143  -2.254 -13.009
  961    HB1  ALA 128           HB1      ALA 128  12.108  -2.668 -13.569
  962    HB2  ALA 128           HB2      ALA 128  10.749  -3.359 -14.468
  963    HB3  ALA 128           HB3      ALA 128  11.025  -1.607 -14.505
  964    H    LYS 129           H        LYS 129  11.731  -2.710 -10.662
  965    HA   LYS 129           HA       LYS 129  11.451  -5.522 -10.264
  966    HB2  LYS 129           HB2      LYS 129  12.493  -3.327  -8.482
  967    HB3  LYS 129           HB3      LYS 129  12.675  -5.049  -8.146
  968    HG2  LYS 129           HG2      LYS 129  14.062  -5.365 -10.119
  969    HG3  LYS 129           HG3      LYS 129  13.742  -3.718 -10.672
  970    HD2  LYS 129           HD2      LYS 129  14.723  -2.950  -8.403
  971    HD3  LYS 129           HD3      LYS 129  15.368  -4.586  -8.271
  972    HE2  LYS 129           HE2      LYS 129  15.857  -2.644 -10.596
  973    HE3  LYS 129           HE3      LYS 129  16.951  -2.845  -9.228
  974    HZ1  LYS 129           HZ1      LYS 129  16.274  -4.974 -11.181
  975    HZ2  LYS 129           HZ2      LYS 129  17.684  -4.165 -11.097
  976    HZ3  LYS 129           HZ3      LYS 129  17.260  -5.169  -9.890
  977    H    ILE 130           H        ILE 130   9.941  -2.638  -8.748
  978    HA   ILE 130           HA       ILE 130   8.682  -4.266  -6.721
  979    HB   ILE 130           HB       ILE 130   8.013  -1.998  -5.863
  980   HG12  ILE 130          HG12      ILE 130   9.738  -0.947  -8.008
  981   HG13  ILE 130          HG13      ILE 130   8.029  -0.626  -7.766
  982   HG21  ILE 130          HG21      ILE 130  11.019  -2.351  -6.233
  983   HG22  ILE 130          HG22      ILE 130  10.176  -1.711  -4.802
  984   HG23  ILE 130          HG23      ILE 130  10.065  -3.421  -5.182
  985   HD11  ILE 130          HD11      ILE 130   8.579   0.565  -5.657
  986   HD12  ILE 130          HD12      ILE 130  10.292   0.237  -5.921
  987   HD13  ILE 130          HD13      ILE 130   9.446   1.269  -7.056
  988    H    SER 131           H        SER 131   7.698  -2.489  -9.515
  989    HA   SER 131           HA       SER 131   5.083  -1.903  -9.242
  990    HB2  SER 131           HB2      SER 131   6.436  -3.182 -11.649
  991    HB3  SER 131           HB3      SER 131   4.814  -2.467 -11.688
  992    HG   SER 131           HG       SER 131   7.286  -1.213 -11.058
  Start of MODEL   12
    1    H    MET   1           H        MET   1   0.499  -0.626  -3.897
    2    HA   MET   1           HA       MET   1   2.533   0.513  -4.463
    3    HB2  MET   1           HB2      MET   1   0.788   1.802  -3.363
    4    HB3  MET   1           HB3      MET   1   1.338   1.291  -1.762
    5    HG2  MET   1           HG2      MET   1   3.364   2.554  -1.950
    6    HG3  MET   1           HG3      MET   1   3.098   2.857  -3.665
    7    HE1  MET   1           HE1      MET   1   0.411   3.989  -4.264
    8    HE2  MET   1           HE2      MET   1   0.544   5.706  -3.837
    9    HE3  MET   1           HE3      MET   1   1.887   4.899  -4.665
   10    H    LYS   2           H        LYS   2   4.676   1.107  -3.948
   11    HA   LYS   2           HA       LYS   2   5.973  -0.255  -1.614
   12    HB2  LYS   2           HB2      LYS   2   6.755  -0.217  -4.527
   13    HB3  LYS   2           HB3      LYS   2   8.019   0.199  -3.390
   14    HG2  LYS   2           HG2      LYS   2   8.291  -2.065  -3.664
   15    HG3  LYS   2           HG3      LYS   2   7.475  -1.909  -2.111
   16    HD2  LYS   2           HD2      LYS   2   5.410  -2.737  -2.985
   17    HD3  LYS   2           HD3      LYS   2   5.935  -2.494  -4.655
   18    HE2  LYS   2           HE2      LYS   2   6.042  -4.881  -4.124
   19    HE3  LYS   2           HE3      LYS   2   7.658  -4.239  -4.422
   20    HZ1  LYS   2           HZ1      LYS   2   6.504  -4.890  -1.779
   21    HZ2  LYS   2           HZ2      LYS   2   7.791  -5.617  -2.505
   22    HZ3  LYS   2           HZ3      LYS   2   7.947  -4.114  -1.973
   23    H    LYS   3           H        LYS   3   7.361   1.018  -0.465
   24    HA   LYS   3           HA       LYS   3   7.434   3.894  -1.160
   25    HB2  LYS   3           HB2      LYS   3   7.578   2.356   1.420
   26    HB3  LYS   3           HB3      LYS   3   8.468   3.864   1.315
   27    HG2  LYS   3           HG2      LYS   3   6.590   5.126   0.531
   28    HG3  LYS   3           HG3      LYS   3   5.545   3.688   0.465
   29    HD2  LYS   3           HD2      LYS   3   5.583   3.498   2.887
   30    HD3  LYS   3           HD3      LYS   3   6.853   4.746   2.999
   31    HE2  LYS   3           HE2      LYS   3   5.317   6.414   2.050
   32    HE3  LYS   3           HE3      LYS   3   4.026   5.200   1.958
   33    HZ1  LYS   3           HZ1      LYS   3   3.928   6.623   3.978
   34    HZ2  LYS   3           HZ2      LYS   3   4.075   5.032   4.352
   35    HZ3  LYS   3           HZ3      LYS   3   5.376   5.993   4.476
   36    H    VAL   4           H        VAL   4   9.002   4.368  -2.412
   37    HA   VAL   4           HA       VAL   4  11.638   3.068  -2.360
   38    HB   VAL   4           HB       VAL   4  10.572   5.421  -3.988
   39   HG11  VAL   4          HG11      VAL   4  12.402   4.879  -5.542
   40   HG12  VAL   4          HG12      VAL   4  13.050   5.302  -3.962
   41   HG13  VAL   4          HG13      VAL   4  12.979   3.596  -4.455
   42   HG21  VAL   4          HG21      VAL   4  10.671   2.451  -4.675
   43   HG22  VAL   4          HG22      VAL   4   9.210   3.446  -4.507
   44   HG23  VAL   4          HG23      VAL   4  10.331   3.751  -5.833
   45    H    MET   5           H        MET   5  13.344   3.864  -1.363
   46    HA   MET   5           HA       MET   5  13.352   6.710  -0.409
   47    HB2  MET   5           HB2      MET   5  13.191   5.295   1.469
   48    HB3  MET   5           HB3      MET   5  14.316   4.123   0.791
   49    HG2  MET   5           HG2      MET   5  15.398   5.285   2.579
   50    HG3  MET   5           HG3      MET   5  16.155   5.652   1.050
   51    HE1  MET   5           HE1      MET   5  14.712   7.045   4.288
   52    HE2  MET   5           HE2      MET   5  13.945   8.586   3.846
   53    HE3  MET   5           HE3      MET   5  13.206   7.052   3.337
   54    H    PHE   6           H        PHE   6  15.205   7.945  -0.898
   55    HA   PHE   6           HA       PHE   6  17.399   6.586  -2.395
   56    HB2  PHE   6           HB2      PHE   6  16.398   9.366  -2.905
   57    HB3  PHE   6           HB3      PHE   6  17.807   8.571  -3.638
   58    HD1  PHE   6           HD1      PHE   6  17.560   6.697  -5.214
   59    HD2  PHE   6           HD2      PHE   6  14.166   8.898  -3.700
   60    HE1  PHE   6           HE1      PHE   6  16.146   5.775  -7.071
   61    HE2  PHE   6           HE2      PHE   6  12.800   7.931  -5.589
   62    HZ   PHE   6           HZ       PHE   6  13.764   6.412  -7.207
   63    H    VAL   7           H        VAL   7  19.490   7.011  -1.402
   64    HA   VAL   7           HA       VAL   7  19.644   9.170   0.667
   65    HB   VAL   7           HB       VAL   7  20.587   6.323   1.107
   66   HG11  VAL   7          HG11      VAL   7  20.541   6.988   3.474
   67   HG12  VAL   7          HG12      VAL   7  21.627   8.025   2.543
   68   HG13  VAL   7          HG13      VAL   7  20.021   8.623   3.023
   69   HG21  VAL   7          HG21      VAL   7  18.286   5.963   0.889
   70   HG22  VAL   7          HG22      VAL   7  18.606   6.006   2.621
   71   HG23  VAL   7          HG23      VAL   7  17.886   7.423   1.836
   72    H    CYS   8           H        CYS   8  21.631  10.324   0.446
   73    HA   CYS   8           HA       CYS   8  23.930   8.741  -0.509
   74    HB2  CYS   8           HB2      CYS   8  24.672  10.210  -2.177
   75    HB3  CYS   8           HB3      CYS   8  22.985   9.959  -2.548
   76    HG   CYS   8           HG       CYS   8  22.072  12.111  -2.061
   77    H    LYS   9           H        LYS   9  25.924  10.306  -0.468
   78    HA   LYS   9           HA       LYS   9  26.386  10.830   2.276
   79    HB2  LYS   9           HB2      LYS   9  27.853  10.765  -0.292
   80    HB3  LYS   9           HB3      LYS   9  28.457  12.043   0.781
   81    HG2  LYS   9           HG2      LYS   9  28.844  10.458   2.565
   82    HG3  LYS   9           HG3      LYS   9  28.012   9.164   1.675
   83    HD2  LYS   9           HD2      LYS   9  29.685   9.108  -0.026
   84    HD3  LYS   9           HD3      LYS   9  30.528  10.522   0.621
   85    HE2  LYS   9           HE2      LYS   9  30.181   7.874   2.109
   86    HE3  LYS   9           HE3      LYS   9  31.595   8.283   1.131
   87    HZ1  LYS   9           HZ1      LYS   9  32.001   8.752   3.451
   88    HZ2  LYS   9           HZ2      LYS   9  32.024  10.148   2.618
   89    HZ3  LYS   9           HZ3      LYS   9  30.733   9.768   3.548
   90    H    ARG  10           H        ARG  10  24.750  12.896   0.065
   91    HA   ARG  10           HA       ARG  10  24.967  15.069   2.076
   92    HB2  ARG  10           HB2      ARG  10  25.404  16.763   0.405
   93    HB3  ARG  10           HB3      ARG  10  26.696  15.570   0.405
   94    HG2  ARG  10           HG2      ARG  10  25.891  14.587  -1.706
   95    HG3  ARG  10           HG3      ARG  10  24.408  15.542  -1.617
   96    HD2  ARG  10           HD2      ARG  10  25.637  16.728  -3.136
   97    HD3  ARG  10           HD3      ARG  10  25.971  17.636  -1.668
   98    HE   ARG  10           HE       ARG  10  27.738  15.895  -3.272
   99   HH11  ARG  10          HH21      ARG  10  27.537  17.976  -0.379
  100   HH12  ARG  10          HH22      ARG  10  29.248  18.081  -0.189
  101   HH21  ARG  10          HH11      ARG  10  29.892  16.027  -3.048
  102   HH22  ARG  10          HH12      ARG  10  30.666  16.939  -1.768
  103    H    ASN  11           H        ASN  11  22.891  13.307   0.052
  104    HA   ASN  11           HA       ASN  11  20.748  13.390  -0.583
  105    HB2  ASN  11           HB2      ASN  11  20.161  13.978   1.665
  106    HB3  ASN  11           HB3      ASN  11  20.418  15.691   1.346
  107   HD21  ASN  11          HD22      ASN  11  18.457  12.903   0.117
  108   HD22  ASN  11          HD21      ASN  11  17.092  13.894  -0.393
  109    H    SER  12           H        SER  12  22.210  16.653  -0.537
  110    HA   SER  12           HA       SER  12  20.800  18.314  -1.792
  111    HB2  SER  12           HB2      SER  12  23.666  17.769  -2.636
  112    HB3  SER  12           HB3      SER  12  22.829  19.322  -2.758
  113    HG   SER  12           HG       SER  12  22.729  19.496  -0.644
  114    H    CYS  13           H        CYS  13  22.243  15.741  -3.842
  115    HA   CYS  13           HA       CYS  13  20.832  16.938  -6.183
  116    HB2  CYS  13           HB2      CYS  13  22.930  16.364  -7.513
  117    HB3  CYS  13           HB3      CYS  13  23.006  17.777  -6.456
  118    HG   CYS  13           HG       CYS  13  25.295  16.721  -6.271
  119    H    ARG  14           H        ARG  14  22.966  14.086  -5.642
  120    HA   ARG  14           HA       ARG  14  21.810  12.536  -7.551
  121    HB2  ARG  14           HB2      ARG  14  22.924  11.545  -4.880
  122    HB3  ARG  14           HB3      ARG  14  22.598  10.486  -6.259
  123    HG2  ARG  14           HG2      ARG  14  24.291  11.424  -7.579
  124    HG3  ARG  14           HG3      ARG  14  24.430  12.881  -6.590
  125    HD2  ARG  14           HD2      ARG  14  25.021  10.197  -5.365
  126    HD3  ARG  14           HD3      ARG  14  26.229  10.975  -6.385
  127    HE   ARG  14           HE       ARG  14  25.549  13.003  -4.669
  128   HH11  ARG  14          HH11      ARG  14  26.603   9.696  -4.030
  129   HH12  ARG  14          HH12      ARG  14  27.889  10.151  -2.955
  130   HH21  ARG  14          HH22      ARG  14  27.058  13.599  -3.160
  131   HH22  ARG  14          HH21      ARG  14  27.930  12.436  -2.202
  132    H    SER  15           H        SER  15  20.850  12.404  -4.042
  133    HA   SER  15           HA       SER  15  18.716  10.592  -4.442
  134    HB2  SER  15           HB2      SER  15  18.739  12.518  -2.144
  135    HB3  SER  15           HB3      SER  15  18.418  10.775  -2.169
  136    HG   SER  15           HG       SER  15  20.356  11.035  -1.221
  137    H    GLN  16           H        GLN  16  18.790  14.171  -4.078
  138    HA   GLN  16           HA       GLN  16  16.003  14.640  -3.973
  139    HB2  GLN  16           HB2      GLN  16  18.466  16.229  -4.780
  140    HB3  GLN  16           HB3      GLN  16  16.886  16.945  -4.989
  141    HG2  GLN  16           HG2      GLN  16  17.819  15.775  -2.352
  142    HG3  GLN  16           HG3      GLN  16  18.073  17.458  -2.792
  143   HE21  GLN  16          HE22      GLN  16  16.647  16.622  -0.522
  144   HE22  GLN  16          HE21      GLN  16  14.973  17.150  -0.678
  145    H    MET  17           H        MET  17  18.217  14.481  -6.754
  146    HA   MET  17           HA       MET  17  16.320  15.143  -8.804
  147    HB2  MET  17           HB2      MET  17  18.977  13.654  -8.731
  148    HB3  MET  17           HB3      MET  17  18.131  14.036 -10.233
  149    HG2  MET  17           HG2      MET  17  18.392  16.360  -9.978
  150    HG3  MET  17           HG3      MET  17  18.711  16.242  -8.254
  151    HE1  MET  17           HE1      MET  17  20.669  13.975 -10.892
  152    HE2  MET  17           HE2      MET  17  20.205  15.469 -11.787
  153    HE3  MET  17           HE3      MET  17  21.909  15.142 -11.405
  154    H    ALA  18           H        ALA  18  17.567  11.988  -7.527
  155    HA   ALA  18           HA       ALA  18  16.008  10.339  -9.189
  156    HB1  ALA  18           HB1      ALA  18  16.798   9.758  -6.308
  157    HB2  ALA  18           HB2      ALA  18  16.480   8.601  -7.619
  158    HB3  ALA  18           HB3      ALA  18  17.919   9.629  -7.676
  159    H    GLU  19           H        GLU  19  15.193  11.879  -6.068
  160    HA   GLU  19           HA       GLU  19  12.648  10.629  -5.786
  161    HB2  GLU  19           HB2      GLU  19  13.549  11.597  -3.863
  162    HB3  GLU  19           HB3      GLU  19  13.842  13.164  -4.632
  163    HG2  GLU  19           HG2      GLU  19  11.495  13.689  -4.680
  164    HG3  GLU  19           HG3      GLU  19  11.051  12.043  -4.223
  165    H    GLY  20           H        GLY  20  13.576  13.744  -7.332
  166    HA2  GLY  20           HA2      GLY  20  10.983  14.617  -8.050
  167    HA3  GLY  20           HA3      GLY  20  12.494  15.011  -8.880
  168    H    PHE  21           H        PHE  21  13.280  12.439  -9.901
  169    HA   PHE  21           HA       PHE  21  11.409  12.177 -12.092
  170    HB2  PHE  21           HB2      PHE  21  13.642  10.269 -11.318
  171    HB3  PHE  21           HB3      PHE  21  12.737  10.249 -12.828
  172    HD1  PHE  21           HD2      PHE  21  12.728  12.607 -14.188
  173    HD2  PHE  21           HD1      PHE  21  15.697  11.351 -11.330
  174    HE1  PHE  21           HE2      PHE  21  14.203  14.504 -14.868
  175    HE2  PHE  21           HE1      PHE  21  17.168  13.219 -12.046
  176    HZ   PHE  21           HZ       PHE  21  16.333  14.852 -13.730
  177    H    ALA  22           H        ALA  22  12.078  10.089  -9.219
  178    HA   ALA  22           HA       ALA  22  10.262   8.045  -9.857
  179    HB1  ALA  22           HB1      ALA  22  11.933   7.881  -8.054
  180    HB2  ALA  22           HB2      ALA  22  11.064   9.124  -7.141
  181    HB3  ALA  22           HB3      ALA  22  10.307   7.539  -7.422
  182    H    LYS  23           H        LYS  23   9.557  11.115  -8.074
  183    HA   LYS  23           HA       LYS  23   6.834  10.297  -7.724
  184    HB2  LYS  23           HB2      LYS  23   6.426  12.400  -6.697
  185    HB3  LYS  23           HB3      LYS  23   7.989  11.819  -6.139
  186    HG2  LYS  23           HG2      LYS  23   9.079  13.278  -7.892
  187    HG3  LYS  23           HG3      LYS  23   7.487  13.921  -8.260
  188    HD2  LYS  23           HD2      LYS  23   7.590  14.140  -5.459
  189    HD3  LYS  23           HD3      LYS  23   9.274  14.460  -5.940
  190    HE2  LYS  23           HE2      LYS  23   8.450  16.072  -7.637
  191    HE3  LYS  23           HE3      LYS  23   6.772  15.710  -7.142
  192    HZ1  LYS  23           HZ1      LYS  23   7.282  16.661  -4.968
  193    HZ2  LYS  23           HZ2      LYS  23   8.852  16.917  -5.370
  194    HZ3  LYS  23           HZ3      LYS  23   7.656  17.766  -6.107
  195    H    THR  24           H        THR  24   8.429  11.532 -10.538
  196    HA   THR  24           HA       THR  24   5.884  12.396 -11.648
  197    HB   THR  24           HB       THR  24   8.684  12.063 -12.868
  198    HG1  THR  24           HG1      THR  24   8.896  13.585 -11.283
  199   HG21  THR  24          HG21      THR  24   6.933  12.245 -14.551
  200   HG22  THR  24          HG22      THR  24   6.274  13.695 -13.754
  201   HG23  THR  24          HG23      THR  24   7.891  13.731 -14.506
  202    H    LEU  25           H        LEU  25   8.276   9.810 -11.986
  203    HA   LEU  25           HA       LEU  25   7.086   8.439 -14.178
  204    HB2  LEU  25           HB2      LEU  25   9.098   7.604 -12.063
  205    HB3  LEU  25           HB3      LEU  25   8.724   6.666 -13.507
  206    HG   LEU  25           HG       LEU  25   9.877   9.504 -13.578
  207   HD11  LEU  25          HD11      LEU  25  11.175   6.760 -13.689
  208   HD12  LEU  25          HD12      LEU  25  11.989   8.263 -14.208
  209   HD13  LEU  25          HD13      LEU  25  11.442   8.079 -12.534
  210   HD21  LEU  25          HD21      LEU  25   8.673   8.966 -15.631
  211   HD22  LEU  25          HD22      LEU  25  10.412   8.910 -15.934
  212   HD23  LEU  25          HD23      LEU  25   9.497   7.397 -15.745
  213    H    GLY  26           H        GLY  26   7.060   7.916 -10.680
  214    HA2  GLY  26           HA2      GLY  26   4.944   5.837 -11.059
  215    HA3  GLY  26           HA3      GLY  26   6.328   5.698  -9.977
  216    H    ALA  27           H        ALA  27   5.238   8.877  -9.530
  217    HA   ALA  27           HA       ALA  27   3.956   8.374  -7.059
  218    HB1  ALA  27           HB1      ALA  27   3.669  10.743  -8.972
  219    HB2  ALA  27           HB2      ALA  27   2.954  10.697  -7.351
  220    HB3  ALA  27           HB3      ALA  27   4.698  10.655  -7.518
  221    H    GLY  28           H        GLY  28   2.147   7.318  -6.652
  222    HA2  GLY  28           HA2      GLY  28  -0.347   7.365  -6.978
  223    HA3  GLY  28           HA3      GLY  28  -0.025   7.174  -8.708
  224    H    LYS  29           H        LYS  29   2.361   5.355  -8.082
  225    HA   LYS  29           HA       LYS  29   0.937   2.971  -7.028
  226    HB2  LYS  29           HB2      LYS  29   2.146   1.626  -8.784
  227    HB3  LYS  29           HB3      LYS  29   0.770   2.603  -9.273
  228    HG2  LYS  29           HG2      LYS  29   2.260   2.863 -11.031
  229    HG3  LYS  29           HG3      LYS  29   2.395   4.361 -10.148
  230    HD2  LYS  29           HD2      LYS  29   4.601   3.701 -10.776
  231    HD3  LYS  29           HD3      LYS  29   4.461   3.478  -9.042
  232    HE2  LYS  29           HE2      LYS  29   5.637   1.581  -9.985
  233    HE3  LYS  29           HE3      LYS  29   4.060   1.003  -9.461
  234    HZ1  LYS  29           HZ1      LYS  29   3.324   0.986 -11.732
  235    HZ2  LYS  29           HZ2      LYS  29   4.650   1.795 -12.264
  236    HZ3  LYS  29           HZ3      LYS  29   4.808   0.278 -11.714
  237    H    ILE  30           H        ILE  30   3.800   4.923  -7.047
  238    HA   ILE  30           HA       ILE  30   4.774   3.295  -4.778
  239    HB   ILE  30           HB       ILE  30   7.056   3.920  -5.322
  240   HG12  ILE  30          HG12      ILE  30   6.378   4.508  -8.190
  241   HG13  ILE  30          HG13      ILE  30   6.304   5.824  -7.016
  242   HG21  ILE  30          HG21      ILE  30   6.374   1.703  -5.843
  243   HG22  ILE  30          HG22      ILE  30   5.609   2.177  -7.373
  244   HG23  ILE  30          HG23      ILE  30   7.366   2.259  -7.200
  245   HD11  ILE  30          HD11      ILE  30   8.622   5.506  -6.382
  246   HD12  ILE  30          HD12      ILE  30   8.792   4.139  -7.551
  247   HD13  ILE  30          HD13      ILE  30   8.478   5.778  -8.127
  248    H    ALA  31           H        ALA  31   5.765   4.624  -3.182
  249    HA   ALA  31           HA       ALA  31   5.284   7.567  -3.447
  250    HB1  ALA  31           HB1      ALA  31   5.087   5.722  -1.025
  251    HB2  ALA  31           HB2      ALA  31   5.093   7.499  -0.933
  252    HB3  ALA  31           HB3      ALA  31   3.771   6.651  -1.767
  253    H    VAL  32           H        VAL  32   7.113   8.782  -3.022
  254    HA   VAL  32           HA       VAL  32   9.590   7.344  -2.334
  255    HB   VAL  32           HB       VAL  32   9.336   7.851  -4.628
  256   HG11  VAL  32          HG11      VAL  32   8.874  10.760  -3.941
  257   HG12  VAL  32          HG12      VAL  32   9.227  10.109  -5.557
  258   HG13  VAL  32          HG13      VAL  32   7.740   9.642  -4.745
  259   HG21  VAL  32          HG21      VAL  32  11.306   9.213  -5.030
  260   HG22  VAL  32          HG22      VAL  32  11.287   9.858  -3.410
  261   HG23  VAL  32          HG23      VAL  32  11.593   8.117  -3.653
  262    H    THR  33           H        THR  33  11.217   8.376  -1.182
  263    HA   THR  33           HA       THR  33  10.957  11.174  -0.464
  264    HB   THR  33           HB       THR  33  11.219   8.915   1.586
  265    HG1  THR  33           HG1      THR  33   9.109  10.057   0.633
  266   HG21  THR  33          HG21      THR  33  11.437  11.923   2.016
  267   HG22  THR  33          HG22      THR  33  11.173  10.737   3.313
  268   HG23  THR  33          HG23      THR  33  12.663  10.683   2.374
  269    H    SER  34           H        SER  34  13.134  12.067  -0.457
  270    HA   SER  34           HA       SER  34  15.324  10.079  -0.397
  271    HB2  SER  34           HB2      SER  34  16.679  11.715  -1.477
  272    HB3  SER  34           HB3      SER  34  15.213  11.464  -2.423
  273    HG   SER  34           HG       SER  34  14.402  13.382  -1.652
  274    H    CYS  35           H        CYS  35  17.273  10.646   0.801
  275    HA   CYS  35           HA       CYS  35  17.187  12.835   2.666
  276    HB2  CYS  35           HB2      CYS  35  17.381  11.583   4.726
  277    HB3  CYS  35           HB3      CYS  35  15.870  11.154   3.919
  278    HG   CYS  35           HG       CYS  35  16.658   8.938   2.877
  279    H    GLY  36           H        GLY  36  19.456  11.945   4.243
  280    HA2  GLY  36           HA2      GLY  36  21.376  10.671   2.554
  281    HA3  GLY  36           HA3      GLY  36  21.663  12.419   2.608
  282    H    LEU  37           H        LEU  37  23.538  10.671   3.558
  283    HA   LEU  37           HA       LEU  37  23.326   9.749   6.212
  284    HB2  LEU  37           HB2      LEU  37  25.832  10.669   4.754
  285    HB3  LEU  37           HB3      LEU  37  25.805   9.743   6.248
  286    HG   LEU  37           HG       LEU  37  24.852   8.791   3.520
  287   HD11  LEU  37          HD11      LEU  37  27.117   7.812   5.313
  288   HD12  LEU  37          HD12      LEU  37  26.719   7.233   3.680
  289   HD13  LEU  37          HD13      LEU  37  27.320   8.882   3.916
  290   HD21  LEU  37          HD21      LEU  37  24.565   6.559   4.634
  291   HD22  LEU  37          HD22      LEU  37  24.749   7.355   6.212
  292   HD23  LEU  37          HD23      LEU  37  23.378   7.757   5.150
  293    H    GLU  38           H        GLU  38  24.077  12.949   4.999
  294    HA   GLU  38           HA       GLU  38  23.440  14.091   7.570
  295    HB2  GLU  38           HB2      GLU  38  25.980  13.903   7.571
  296    HB3  GLU  38           HB3      GLU  38  25.989  14.952   6.138
  297    HG2  GLU  38           HG2      GLU  38  24.917  16.754   7.432
  298    HG3  GLU  38           HG3      GLU  38  24.774  15.693   8.833
  299    H    SER  39           H        SER  39  22.467  16.129   7.148
  300    HA   SER  39           HA       SER  39  21.364  16.397   4.478
  301    HB2  SER  39           HB2      SER  39  20.314  18.484   5.677
  302    HB3  SER  39           HB3      SER  39  19.818  16.853   6.144
  303    HG   SER  39           HG       SER  39  20.303  18.247   7.940
  304    H    SER  40           H        SER  40  21.514  18.210   3.116
  305    HA   SER  40           HA       SER  40  23.091  20.539   3.669
  306    HB2  SER  40           HB2      SER  40  24.003  18.502   1.580
  307    HB3  SER  40           HB3      SER  40  24.481  20.209   1.540
  308    HG   SER  40           HG       SER  40  24.795  18.778   3.922
  309    H    ARG  41           H        ARG  41  22.513  22.160   1.960
  310    HA   ARG  41           HA       ARG  41  19.791  22.017   1.330
  311    HB2  ARG  41           HB2      ARG  41  20.153  24.049  -0.001
  312    HB3  ARG  41           HB3      ARG  41  20.913  24.159   1.576
  313    HG2  ARG  41           HG2      ARG  41  23.088  24.082   0.725
  314    HG3  ARG  41           HG3      ARG  41  22.627  23.256  -0.762
  315    HD2  ARG  41           HD2      ARG  41  21.864  26.129  -0.126
  316    HD3  ARG  41           HD3      ARG  41  23.275  25.648  -1.091
  317    HE   ARG  41           HE       ARG  41  21.156  24.314  -2.273
  318   HH11  ARG  41          HH11      ARG  41  21.906  27.746  -1.738
  319   HH12  ARG  41          HH12      ARG  41  20.933  28.290  -3.054
  320   HH21  ARG  41          HH21      ARG  41  19.889  24.979  -3.914
  321   HH22  ARG  41          HH22      ARG  41  19.718  26.658  -4.344
  322    H    VAL  42           H        VAL  42  18.706  22.061  -0.737
  323    HA   VAL  42           HA       VAL  42  19.550  19.991  -2.550
  324    HB   VAL  42           HB       VAL  42  17.455  22.154  -3.022
  325   HG11  VAL  42          HG11      VAL  42  18.175  20.993  -5.087
  326   HG12  VAL  42          HG12      VAL  42  17.900  19.421  -4.324
  327   HG13  VAL  42          HG13      VAL  42  16.531  20.510  -4.642
  328   HG21  VAL  42          HG21      VAL  42  17.239  19.410  -1.713
  329   HG22  VAL  42          HG22      VAL  42  16.829  20.973  -1.004
  330   HG23  VAL  42          HG23      VAL  42  15.840  20.326  -2.322
  331    H    HIS  43           H        HIS  43  20.780  20.167  -4.415
  332    HA   HIS  43           HA       HIS  43  22.372  22.550  -4.610
  333    HB2  HIS  43           HB2      HIS  43  23.035  20.049  -4.962
  334    HB3  HIS  43           HB3      HIS  43  22.356  20.234  -6.578
  335    HD1  HIS  43           HD1      HIS  43  23.970  21.480  -8.300
  336    HD2  HIS  43           HD2      HIS  43  25.124  21.749  -4.269
  337    HE1  HIS  43           HE1      HIS  43  26.237  22.647  -8.278
  338    HA   PRO  44           HA       PRO  44  19.582  24.534  -7.296
  339    HB2  PRO  44           HB2      PRO  44  21.035  26.572  -8.427
  340    HB3  PRO  44           HB3      PRO  44  20.650  26.507  -6.682
  341    HG2  PRO  44           HG2      PRO  44  23.219  25.695  -8.059
  342    HG3  PRO  44           HG3      PRO  44  23.014  26.639  -6.553
  343    HD2  PRO  44           HD2      PRO  44  23.548  23.933  -6.624
  344    HD3  PRO  44           HD3      PRO  44  22.633  24.708  -5.287
  345    H    THR  45           H        THR  45  22.654  23.799  -9.143
  346    HA   THR  45           HA       THR  45  21.345  24.006 -11.611
  347    HB   THR  45           HB       THR  45  23.694  22.243 -10.783
  348    HG1  THR  45           HG1      THR  45  24.960  24.054 -11.170
  349   HG21  THR  45          HG21      THR  45  24.616  22.664 -13.055
  350   HG22  THR  45          HG22      THR  45  23.150  21.695 -13.067
  351   HG23  THR  45          HG23      THR  45  23.061  23.412 -13.522
  352    H    ALA  46           H        ALA  46  21.119  21.443  -9.268
  353    HA   ALA  46           HA       ALA  46  20.263  19.223 -10.821
  354    HB1  ALA  46           HB1      ALA  46  20.592  19.492  -8.232
  355    HB2  ALA  46           HB2      ALA  46  18.930  20.217  -8.255
  356    HB3  ALA  46           HB3      ALA  46  19.181  18.551  -8.778
  357    H    ILE  47           H        ILE  47  18.549  22.215  -9.769
  358    HA   ILE  47           HA       ILE  47  15.962  21.447 -10.371
  359    HB   ILE  47           HB       ILE  47  17.368  24.145 -10.546
  360   HG12  ILE  47          HG12      ILE  47  15.668  23.139  -8.222
  361   HG13  ILE  47          HG13      ILE  47  17.402  22.871  -8.261
  362   HG21  ILE  47          HG21      ILE  47  15.175  25.169 -10.282
  363   HG22  ILE  47          HG22      ILE  47  15.294  24.238 -11.760
  364   HG23  ILE  47          HG23      ILE  47  14.423  23.553 -10.375
  365   HD11  ILE  47          HD11      ILE  47  16.983  24.829  -6.950
  366   HD12  ILE  47          HD12      ILE  47  17.810  25.306  -8.464
  367   HD13  ILE  47          HD13      ILE  47  16.072  25.597  -8.253
  368    H    ALA  48           H        ALA  48  18.623  22.791 -12.365
  369    HA   ALA  48           HA       ALA  48  17.024  23.536 -14.560
  370    HB1  ALA  48           HB1      ALA  48  19.247  24.544 -13.996
  371    HB2  ALA  48           HB2      ALA  48  20.029  23.012 -14.425
  372    HB3  ALA  48           HB3      ALA  48  19.176  23.943 -15.671
  373    H    MET  49           H        MET  49  19.042  20.707 -13.810
  374    HA   MET  49           HA       MET  49  18.793  19.385 -16.270
  375    HB2  MET  49           HB2      MET  49  18.916  17.922 -13.635
  376    HB3  MET  49           HB3      MET  49  19.670  17.504 -15.180
  377    HG2  MET  49           HG2      MET  49  20.526  19.354 -13.026
  378    HG3  MET  49           HG3      MET  49  21.422  18.142 -13.889
  379    HE1  MET  49           HE1      MET  49  22.256  20.288 -17.243
  380    HE2  MET  49           HE2      MET  49  22.477  18.707 -16.477
  381    HE3  MET  49           HE3      MET  49  20.847  19.230 -16.993
  382    H    MET  50           H        MET  50  16.750  19.246 -13.354
  383    HA   MET  50           HA       MET  50  14.904  17.280 -14.390
  384    HB2  MET  50           HB2      MET  50  14.703  19.273 -12.080
  385    HB3  MET  50           HB3      MET  50  13.513  18.025 -12.452
  386    HG2  MET  50           HG2      MET  50  15.832  16.541 -12.494
  387    HG3  MET  50           HG3      MET  50  16.262  17.763 -11.330
  388    HE1  MET  50           HE1      MET  50  12.438  15.395 -11.169
  389    HE2  MET  50           HE2      MET  50  13.476  15.703 -12.579
  390    HE3  MET  50           HE3      MET  50  13.788  14.300 -11.526
  391    H    GLU  51           H        GLU  51  15.028  20.875 -14.358
  392    HA   GLU  51           HA       GLU  51  12.530  21.289 -15.622
  393    HB2  GLU  51           HB2      GLU  51  15.114  22.831 -15.465
  394    HB3  GLU  51           HB3      GLU  51  13.836  23.376 -16.551
  395    HG2  GLU  51           HG2      GLU  51  12.236  23.371 -14.620
  396    HG3  GLU  51           HG3      GLU  51  13.580  23.024 -13.535
  397    H    GLU  52           H        GLU  52  15.642  20.241 -17.008
  398    HA   GLU  52           HA       GLU  52  14.837  20.573 -19.717
  399    HB2  GLU  52           HB2      GLU  52  16.605  18.320 -18.743
  400    HB3  GLU  52           HB3      GLU  52  16.505  18.981 -20.365
  401    HG2  GLU  52           HG2      GLU  52  17.231  21.253 -19.166
  402    HG3  GLU  52           HG3      GLU  52  17.839  20.135 -17.943
  403    H    VAL  53           H        VAL  53  14.329  17.971 -17.343
  404    HA   VAL  53           HA       VAL  53  12.925  16.303 -19.329
  405    HB   VAL  53           HB       VAL  53  13.255  15.997 -16.326
  406   HG11  VAL  53          HG11      VAL  53  11.315  14.675 -17.033
  407   HG12  VAL  53          HG12      VAL  53  12.218  14.024 -18.412
  408   HG13  VAL  53          HG13      VAL  53  12.673  13.591 -16.744
  409   HG21  VAL  53          HG21      VAL  53  14.712  14.783 -18.728
  410   HG22  VAL  53          HG22      VAL  53  15.404  15.865 -17.507
  411   HG23  VAL  53          HG23      VAL  53  14.919  14.224 -17.062
  412    H    GLY  54           H        GLY  54  12.065  18.972 -17.313
  413    HA2  GLY  54           HA2      GLY  54  10.046  20.163 -17.613
  414    HA3  GLY  54           HA3      GLY  54   9.201  18.682 -18.082
  415    H    ILE  55           H        ILE  55  11.379  18.799 -15.302
  416    HA   ILE  55           HA       ILE  55   9.075  18.699 -13.394
  417    HB   ILE  55           HB       ILE  55  11.631  17.074 -13.262
  418   HG12  ILE  55          HG12      ILE  55   8.931  15.780 -13.718
  419   HG13  ILE  55          HG13      ILE  55   9.827  16.366 -15.105
  420   HG21  ILE  55          HG21      ILE  55   9.143  17.144 -11.503
  421   HG22  ILE  55          HG22      ILE  55  10.198  15.737 -11.529
  422   HG23  ILE  55          HG23      ILE  55  10.857  17.269 -11.010
  423   HD11  ILE  55          HD11      ILE  55  10.376  14.056 -14.779
  424   HD12  ILE  55          HD12      ILE  55  11.792  15.094 -14.508
  425   HD13  ILE  55          HD13      ILE  55  10.937  14.366 -13.125
  426    H    ASP  56           H        ASP  56  10.303  19.052 -11.012
  427    HA   ASP  56           HA       ASP  56  12.282  21.240 -11.180
  428    HB2  ASP  56           HB2      ASP  56  10.184  22.460 -11.308
  429    HB3  ASP  56           HB3      ASP  56   9.469  21.461 -10.030
  430    H    ILE  57           H        ILE  57  13.281  21.581  -9.121
  431    HA   ILE  57           HA       ILE  57  12.480  19.796  -6.922
  432    HB   ILE  57           HB       ILE  57  15.344  20.356  -6.941
  433   HG12  ILE  57          HG12      ILE  57  14.309  18.305  -8.912
  434   HG13  ILE  57          HG13      ILE  57  15.194  19.764  -9.340
  435   HG21  ILE  57          HG21      ILE  57  15.395  18.102  -5.990
  436   HG22  ILE  57          HG22      ILE  57  14.144  19.043  -5.244
  437   HG23  ILE  57          HG23      ILE  57  13.717  17.835  -6.500
  438   HD11  ILE  57          HD11      ILE  57  16.879  18.156  -9.338
  439   HD12  ILE  57          HD12      ILE  57  17.039  18.889  -7.725
  440   HD13  ILE  57          HD13      ILE  57  16.228  17.321  -7.913
  441    H    SER  58           H        SER  58  13.450  22.997  -7.927
  442    HA   SER  58           HA       SER  58  14.166  24.343  -5.697
  443    HB2  SER  58           HB2      SER  58  11.796  25.367  -7.264
  444    HB3  SER  58           HB3      SER  58  13.192  26.252  -6.630
  445    HG   SER  58           HG       SER  58  12.910  24.566  -8.871
  446    H    GLY  59           H        GLY  59  10.868  23.081  -6.354
  447    HA2  GLY  59           HA2      GLY  59   9.572  24.438  -4.201
  448    HA3  GLY  59           HA3      GLY  59   8.920  23.141  -5.209
  449    H    GLN  60           H        GLN  60  11.624  21.677  -3.994
  450    HA   GLN  60           HA       GLN  60  10.363  20.876  -1.462
  451    HB2  GLN  60           HB2      GLN  60  10.851  18.570  -1.933
  452    HB3  GLN  60           HB3      GLN  60   9.892  19.275  -3.247
  453    HG2  GLN  60           HG2      GLN  60  11.877  19.435  -4.670
  454    HG3  GLN  60           HG3      GLN  60  12.893  18.830  -3.362
  455   HE21  GLN  60          HE22      GLN  60  13.605  16.909  -4.173
  456   HE22  GLN  60          HE21      GLN  60  12.574  15.631  -4.799
  457    H    THR  61           H        THR  61  11.922  19.830   0.062
  458    HA   THR  61           HA       THR  61  14.584  21.134  -0.095
  459    HB   THR  61           HB       THR  61  14.188  21.469   2.389
  460    HG1  THR  61           HG1      THR  61  12.109  21.254   3.137
  461   HG21  THR  61          HG21      THR  61  12.782  23.443   2.068
  462   HG22  THR  61          HG22      THR  61  13.887  23.261   0.693
  463   HG23  THR  61          HG23      THR  61  12.175  22.793   0.524
  464    H    SER  62           H        SER  62  16.127  20.319   1.537
  465    HA   SER  62           HA       SER  62  16.458  17.460   1.312
  466    HB2  SER  62           HB2      SER  62  18.072  19.481   2.905
  467    HB3  SER  62           HB3      SER  62  18.605  17.900   2.304
  468    HG   SER  62           HG       SER  62  19.370  19.416   0.977
  469    H    ASP  63           H        ASP  63  17.087  16.123   3.209
  470    HA   ASP  63           HA       ASP  63  16.189  16.955   5.844
  471    HB2  ASP  63           HB2      ASP  63  14.122  15.973   4.400
  472    HB3  ASP  63           HB3      ASP  63  14.826  14.440   4.894
  473    HA   PRO  64           HA       PRO  64  19.519  14.024   6.425
  474    HB2  PRO  64           HB2      PRO  64  19.657  13.801   9.139
  475    HB3  PRO  64           HB3      PRO  64  20.060  15.318   8.285
  476    HG2  PRO  64           HG2      PRO  64  17.450  14.575   9.637
  477    HG3  PRO  64           HG3      PRO  64  18.379  16.099   9.788
  478    HD2  PRO  64           HD2      PRO  64  16.243  15.807   8.090
  479    HD3  PRO  64           HD3      PRO  64  17.628  16.872   7.702
  480    H    ILE  65           H        ILE  65  19.935  11.809   6.860
  481    HA   ILE  65           HA       ILE  65  17.907   9.935   6.597
  482    HB   ILE  65           HB       ILE  65  20.258   9.652   6.100
  483   HG12  ILE  65          HG12      ILE  65  19.249   7.466   7.941
  484   HG13  ILE  65          HG13      ILE  65  18.672   7.789   6.290
  485   HG21  ILE  65          HG21      ILE  65  21.281  10.657   8.161
  486   HG22  ILE  65          HG22      ILE  65  20.754   9.230   9.084
  487   HG23  ILE  65          HG23      ILE  65  21.936   9.070   7.788
  488   HD11  ILE  65          HD11      ILE  65  21.056   7.604   5.511
  489   HD12  ILE  65          HD12      ILE  65  21.469   6.952   7.109
  490   HD13  ILE  65          HD13      ILE  65  20.316   6.090   6.068
  491    H    GLU  66           H        GLU  66  19.207  11.368   9.552
  492    HA   GLU  66           HA       GLU  66  18.496   9.385  11.387
  493    HB2  GLU  66           HB2      GLU  66  18.710  12.378  11.938
  494    HB3  GLU  66           HB3      GLU  66  19.029  11.048  13.054
  495    HG2  GLU  66           HG2      GLU  66  20.955  10.375  11.497
  496    HG3  GLU  66           HG3      GLU  66  20.699  11.904  10.644
  497    H    ASN  67           H        ASN  67  16.469  11.724   9.821
  498    HA   ASN  67           HA       ASN  67  14.539  11.988  11.993
  499    HB2  ASN  67           HB2      ASN  67  15.206  13.821  10.391
  500    HB3  ASN  67           HB3      ASN  67  14.419  12.906   9.104
  501   HD21  ASN  67          HD22      ASN  67  12.887  14.497   8.663
  502   HD22  ASN  67          HD21      ASN  67  11.575  14.910   9.772
  503    H    PHE  68           H        PHE  68  15.080   9.445   9.852
  504    HA   PHE  68           HA       PHE  68  12.188   8.920   9.379
  505    HB2  PHE  68           HB2      PHE  68  14.691   8.113   7.849
  506    HB3  PHE  68           HB3      PHE  68  13.054   7.598   7.479
  507    HD1  PHE  68           HD2      PHE  68  11.289   9.312   6.944
  508    HD2  PHE  68           HD1      PHE  68  15.487  10.262   7.058
  509    HE1  PHE  68           HE2      PHE  68  10.850  11.405   5.666
  510    HE2  PHE  68           HE1      PHE  68  15.053  12.339   5.788
  511    HZ   PHE  68           HZ       PHE  68  12.741  12.910   5.066
  512    H    ASN  69           H        ASN  69  12.141   6.428   8.665
  513    HA   ASN  69           HA       ASN  69  13.472   4.627  10.520
  514    HB2  ASN  69           HB2      ASN  69  11.194   3.455  10.880
  515    HB3  ASN  69           HB3      ASN  69  11.603   4.844  11.876
  516   HD21  ASN  69          HD21      ASN  69  10.337   5.032   8.478
  517   HD22  ASN  69          HD22      ASN  69   8.842   5.816   8.951
  518    H    ALA  70           H        ALA  70  14.084   2.833   9.384
  519    HA   ALA  70           HA       ALA  70  13.660   2.631   6.582
  520    HB1  ALA  70           HB1      ALA  70  15.534   1.509   7.409
  521    HB2  ALA  70           HB2      ALA  70  14.628   0.621   8.669
  522    HB3  ALA  70           HB3      ALA  70  14.469   0.236   6.936
  523    H    ASP  71           H        ASP  71  11.780   1.370   9.291
  524    HA   ASP  71           HA       ASP  71  10.641  -0.838   8.056
  525    HB2  ASP  71           HB2      ASP  71  10.581  -0.395  10.475
  526    HB3  ASP  71           HB3      ASP  71   9.491   0.971  10.217
  527    H    ASP  72           H        ASP  72   9.967   2.492   7.419
  528    HA   ASP  72           HA       ASP  72   7.259   1.992   6.428
  529    HB2  ASP  72           HB2      ASP  72   7.799   4.019   7.767
  530    HB3  ASP  72           HB3      ASP  72   8.876   4.558   6.468
  531    H    TYR  73           H        TYR  73  10.577   2.109   5.223
  532    HA   TYR  73           HA       TYR  73   9.700   2.671   2.518
  533    HB2  TYR  73           HB2      TYR  73  12.479   2.629   3.710
  534    HB3  TYR  73           HB3      TYR  73  12.064   3.055   2.047
  535    HD1  TYR  73           HD1      TYR  73  10.390   5.018   1.685
  536    HD2  TYR  73           HD2      TYR  73  12.437   4.295   5.403
  537    HE1  TYR  73           HE1      TYR  73   9.705   7.252   2.483
  538    HE2  TYR  73           HE2      TYR  73  11.881   6.586   6.187
  539    HH   TYR  73           HH       TYR  73   9.734   8.751   4.212
  540    H    ASP  74           H        ASP  74   9.367   0.965   1.192
  541    HA   ASP  74           HA       ASP  74  10.020  -1.746   2.148
  542    HB2  ASP  74           HB2      ASP  74   7.871  -1.152   0.951
  543    HB3  ASP  74           HB3      ASP  74   8.845  -0.887  -0.501
  544    H    VAL  75           H        VAL  75  11.226   0.702  -0.069
  545    HA   VAL  75           HA       VAL  75  13.451  -1.114  -0.881
  546    HB   VAL  75           HB       VAL  75  12.248  -1.418  -2.716
  547   HG11  VAL  75          HG11      VAL  75  10.831   1.195  -2.500
  548   HG12  VAL  75          HG12      VAL  75  10.711   0.120  -3.893
  549   HG13  VAL  75          HG13      VAL  75  10.192  -0.443  -2.309
  550   HG21  VAL  75          HG21      VAL  75  13.003  -0.203  -4.590
  551   HG22  VAL  75          HG22      VAL  75  13.321   1.255  -3.618
  552   HG23  VAL  75          HG23      VAL  75  14.322  -0.201  -3.418
  553    H    VAL  76           H        VAL  76  15.431  -0.221  -0.896
  554    HA   VAL  76           HA       VAL  76  15.591   2.732  -0.462
  555    HB   VAL  76           HB       VAL  76  17.061   0.540   1.017
  556   HG11  VAL  76          HG11      VAL  76  18.455   2.547   0.765
  557   HG12  VAL  76          HG12      VAL  76  17.159   3.532   1.494
  558   HG13  VAL  76          HG13      VAL  76  17.975   2.250   2.424
  559   HG21  VAL  76          HG21      VAL  76  15.832   1.318   3.028
  560   HG22  VAL  76          HG22      VAL  76  14.859   2.390   2.016
  561   HG23  VAL  76          HG23      VAL  76  14.753   0.630   1.822
  562    H    ILE  77           H        ILE  77  16.932   3.745  -1.723
  563    HA   ILE  77           HA       ILE  77  18.996   2.290  -3.266
  564    HB   ILE  77           HB       ILE  77  17.276   4.697  -3.959
  565   HG12  ILE  77          HG12      ILE  77  15.957   2.698  -4.212
  566   HG13  ILE  77          HG13      ILE  77  16.420   3.323  -5.790
  567   HG21  ILE  77          HG21      ILE  77  18.374   4.595  -6.173
  568   HG22  ILE  77          HG22      ILE  77  19.491   5.022  -4.893
  569   HG23  ILE  77          HG23      ILE  77  19.514   3.377  -5.537
  570   HD11  ILE  77          HD11      ILE  77  16.539   0.844  -5.664
  571   HD12  ILE  77          HD12      ILE  77  18.098   1.584  -6.068
  572   HD13  ILE  77          HD13      ILE  77  17.807   0.979  -4.427
  573    H    SER  78           H        SER  78  20.785   2.617  -2.287
  574    HA   SER  78           HA       SER  78  21.467   5.157  -0.958
  575    HB2  SER  78           HB2      SER  78  22.306   3.011  -0.126
  576    HB3  SER  78           HB3      SER  78  23.060   2.718  -1.711
  577    HG   SER  78           HG       SER  78  24.596   4.036  -1.296
  578    H    LEU  79           H        LEU  79  23.076   6.496  -1.979
  579    HA   LEU  79           HA       LEU  79  24.094   5.818  -4.615
  580    HB2  LEU  79           HB2      LEU  79  23.197   8.563  -4.888
  581    HB3  LEU  79           HB3      LEU  79  23.003   7.203  -5.914
  582    HG   LEU  79           HG       LEU  79  20.912   6.658  -4.218
  583   HD11  LEU  79          HD11      LEU  79  21.270   9.669  -4.083
  584   HD12  LEU  79          HD12      LEU  79  19.939   8.704  -3.410
  585   HD13  LEU  79          HD13      LEU  79  21.563   8.524  -2.778
  586   HD21  LEU  79          HD21      LEU  79  20.671   7.025  -6.618
  587   HD22  LEU  79          HD22      LEU  79  19.473   7.984  -5.744
  588   HD23  LEU  79          HD23      LEU  79  20.910   8.774  -6.427
  589    H    CYS  80           H        CYS  80  25.317   5.767  -2.160
  590    HA   CYS  80           HA       CYS  80  26.332   8.305  -1.258
  591    HB2  CYS  80           HB2      CYS  80  27.221   5.442  -0.716
  592    HB3  CYS  80           HB3      CYS  80  27.933   6.880   0.054
  593    HG   CYS  80           HG       CYS  80  24.863   5.660   0.187
  594    H    GLY  81           H        GLY  81  27.353   6.170  -3.799
  595    HA2  GLY  81           HA2      GLY  81  28.486   7.083  -5.672
  596    HA3  GLY  81           HA3      GLY  81  29.282   8.268  -4.642
  597    H    CYS  82           H        CYS  82  30.668   7.143  -2.810
  598    HA   CYS  82           HA       CYS  82  32.710   5.734  -4.212
  599    HB2  CYS  82           HB2      CYS  82  32.512   6.350  -1.221
  600    HB3  CYS  82           HB3      CYS  82  33.990   6.012  -2.131
  601    HG   CYS  82           HG       CYS  82  33.917   8.551  -1.545
  602    H    GLY  83           H        GLY  83  30.270   4.164  -3.903
  603    HA2  GLY  83           HA2      GLY  83  29.576   2.048  -3.554
  604    HA3  GLY  83           HA3      GLY  83  31.281   1.572  -3.375
  605    H    VAL  84           H        VAL  84  30.077   3.939  -1.186
  606    HA   VAL  84           HA       VAL  84  30.210   2.300   1.186
  607    HB   VAL  84           HB       VAL  84  29.410   5.121   0.580
  608   HG11  VAL  84          HG11      VAL  84  29.478   5.590   3.028
  609   HG12  VAL  84          HG12      VAL  84  28.131   4.555   2.574
  610   HG13  VAL  84          HG13      VAL  84  29.578   3.846   3.338
  611   HG21  VAL  84          HG21      VAL  84  31.507   5.703   1.762
  612   HG22  VAL  84          HG22      VAL  84  31.830   3.980   2.031
  613   HG23  VAL  84          HG23      VAL  84  31.832   4.645   0.388
  614    H    ASN  85           H        ASN  85  28.371   1.975   2.539
  615    HA   ASN  85           HA       ASN  85  25.712   1.936   1.244
  616    HB2  ASN  85           HB2      ASN  85  25.184  -0.243   2.006
  617    HB3  ASN  85           HB3      ASN  85  26.674  -0.375   1.084
  618   HD21  ASN  85          HD22      ASN  85  25.449  -0.008   4.466
  619   HD22  ASN  85          HD21      ASN  85  26.746  -0.926   5.197
  620    H    LEU  86           H        LEU  86  24.031   1.904   2.724
  621    HA   LEU  86           HA       LEU  86  24.279   3.907   4.753
  622    HB2  LEU  86           HB2      LEU  86  22.026   1.949   4.258
  623    HB3  LEU  86           HB3      LEU  86  21.927   3.514   5.063
  624    HG   LEU  86           HG       LEU  86  22.468   2.987   2.128
  625   HD11  LEU  86          HD11      LEU  86  20.346   4.100   1.778
  626   HD12  LEU  86          HD12      LEU  86  20.146   2.765   2.921
  627   HD13  LEU  86          HD13      LEU  86  20.194   4.435   3.524
  628   HD21  LEU  86          HD21      LEU  86  23.868   4.880   2.728
  629   HD22  LEU  86          HD22      LEU  86  22.502   5.427   1.789
  630   HD23  LEU  86          HD23      LEU  86  22.504   5.669   3.558
  631    HA   PRO  87           HA       PRO  87  25.531   1.125   8.087
  632    HB2  PRO  87           HB2      PRO  87  24.789   3.557   9.703
  633    HB3  PRO  87           HB3      PRO  87  26.215   2.491   9.849
  634    HG2  PRO  87           HG2      PRO  87  26.417   4.927   8.653
  635    HG3  PRO  87           HG3      PRO  87  27.269   3.503   7.974
  636    HD2  PRO  87           HD2      PRO  87  24.668   4.743   7.063
  637    HD3  PRO  87           HD3      PRO  87  26.043   4.147   6.092
  638    HA   PRO  88           HA       PRO  88  21.429   1.599  10.383
  639    HB2  PRO  88           HB2      PRO  88  19.293   3.063   9.461
  640    HB3  PRO  88           HB3      PRO  88  20.648   3.771  10.348
  641    HG2  PRO  88           HG2      PRO  88  20.225   3.736   7.336
  642    HG3  PRO  88           HG3      PRO  88  20.667   5.093   8.404
  643    HD2  PRO  88           HD2      PRO  88  22.540   3.689   7.045
  644    HD3  PRO  88           HD3      PRO  88  22.858   4.330   8.673
  645    H    GLU  89           H        GLU  89  19.203   0.616  10.328
  646    HA   GLU  89           HA       GLU  89  19.099  -1.784   8.995
  647    HB2  GLU  89           HB2      GLU  89  16.522  -0.378   9.710
  648    HB3  GLU  89           HB3      GLU  89  16.923  -2.078   9.856
  649    HG2  GLU  89           HG2      GLU  89  17.874   0.215  11.608
  650    HG3  GLU  89           HG3      GLU  89  16.674  -0.996  12.013
  651    H    TRP  90           H        TRP  90  18.441   1.216   7.615
  652    HA   TRP  90           HA       TRP  90  16.609   0.923   5.542
  653    HB2  TRP  90           HB2      TRP  90  19.333   2.272   5.802
  654    HB3  TRP  90           HB3      TRP  90  18.136   2.635   4.594
  655    HD1  TRP  90           HD1      TRP  90  18.400   5.003   5.180
  656    HE1  TRP  90           HE1      TRP  90  17.220   6.571   6.813
  657    HE3  TRP  90           HE3      TRP  90  17.189   1.764   9.016
  658    HZ2  TRP  90           HZ2      TRP  90  15.632   6.458   9.063
  659    HZ3  TRP  90           HZ3      TRP  90  16.244   2.678  11.057
  660    HH2  TRP  90           HH2      TRP  90  15.494   5.044  11.157
  661    H    VAL  91           H        VAL  91  19.827  -0.580   5.990
  662    HA   VAL  91           HA       VAL  91  20.132  -1.046   3.156
  663    HB   VAL  91           HB       VAL  91  21.946  -0.344   4.702
  664   HG11  VAL  91          HG11      VAL  91  21.380  -1.834   6.657
  665   HG12  VAL  91          HG12      VAL  91  22.047  -3.198   5.730
  666   HG13  VAL  91          HG13      VAL  91  23.076  -1.827   6.191
  667   HG21  VAL  91          HG21      VAL  91  22.510  -1.325   2.534
  668   HG22  VAL  91          HG22      VAL  91  23.728  -1.676   3.767
  669   HG23  VAL  91          HG23      VAL  91  22.589  -2.937   3.271
  670    H    THR  92           H        THR  92  18.203  -2.454   5.468
  671    HA   THR  92           HA       THR  92  18.626  -5.168   4.442
  672    HB   THR  92           HB       THR  92  18.043  -6.032   6.647
  673    HG1  THR  92           HG1      THR  92  17.624  -3.318   7.263
  674   HG21  THR  92          HG21      THR  92  20.435  -5.476   6.104
  675   HG22  THR  92          HG22      THR  92  20.219  -3.958   7.011
  676   HG23  THR  92          HG23      THR  92  20.038  -5.519   7.829
  677    H    GLN  93           H        GLN  93  16.783  -3.122   3.451
  678    HA   GLN  93           HA       GLN  93  14.097  -4.213   4.081
  679    HB2  GLN  93           HB2      GLN  93  14.917  -1.826   2.375
  680    HB3  GLN  93           HB3      GLN  93  13.265  -2.292   2.798
  681    HG2  GLN  93           HG2      GLN  93  15.428  -1.337   4.712
  682    HG3  GLN  93           HG3      GLN  93  13.973  -0.478   4.255
  683   HE21  GLN  93          HE22      GLN  93  15.247  -2.056   6.838
  684   HE22  GLN  93          HE21      GLN  93  13.763  -2.666   7.547
  685    H    GLU  94           H        GLU  94  12.680  -4.165   1.820
  686    HA   GLU  94           HA       GLU  94  13.294  -6.643   0.799
  687    HB2  GLU  94           HB2      GLU  94  11.076  -5.104   0.869
  688    HB3  GLU  94           HB3      GLU  94  11.549  -4.801  -0.818
  689    HG2  GLU  94           HG2      GLU  94  11.670  -7.273  -1.178
  690    HG3  GLU  94           HG3      GLU  94  11.215  -7.507   0.512
  691    H    ILE  95           H        ILE  95  14.131  -3.494  -0.535
  692    HA   ILE  95           HA       ILE  95  15.912  -4.862  -2.511
  693    HB   ILE  95           HB       ILE  95  14.031  -2.583  -2.988
  694   HG12  ILE  95          HG12      ILE  95  14.386  -5.382  -4.110
  695   HG13  ILE  95          HG13      ILE  95  12.968  -4.678  -3.321
  696   HG21  ILE  95          HG21      ILE  95  15.100  -2.253  -5.201
  697   HG22  ILE  95          HG22      ILE  95  16.256  -1.948  -3.931
  698   HG23  ILE  95          HG23      ILE  95  16.312  -3.494  -4.812
  699   HD11  ILE  95          HD11      ILE  95  12.753  -3.137  -5.311
  700   HD12  ILE  95          HD12      ILE  95  14.025  -4.121  -6.091
  701   HD13  ILE  95          HD13      ILE  95  12.484  -4.871  -5.636
  702    H    PHE  96           H        PHE  96  17.968  -3.941  -2.537
  703    HA   PHE  96           HA       PHE  96  18.431  -1.343  -1.392
  704    HB2  PHE  96           HB2      PHE  96  18.955  -2.720   0.545
  705    HB3  PHE  96           HB3      PHE  96  19.988  -3.765  -0.444
  706    HD1  PHE  96           HD1      PHE  96  19.584  -0.341   0.955
  707    HD2  PHE  96           HD2      PHE  96  22.180  -2.966  -1.277
  708    HE1  PHE  96           HE1      PHE  96  21.373   1.357   1.026
  709    HE2  PHE  96           HE2      PHE  96  23.913  -1.193  -1.347
  710    HZ   PHE  96           HZ       PHE  96  23.563   0.929  -0.107
  711    H    GLU  97           H        GLU  97  19.744  -0.293  -2.792
  712    HA   GLU  97           HA       GLU  97  21.859  -1.747  -4.283
  713    HB2  GLU  97           HB2      GLU  97  19.705   0.064  -5.443
  714    HB3  GLU  97           HB3      GLU  97  21.283  -0.067  -6.208
  715    HG2  GLU  97           HG2      GLU  97  21.033  -2.344  -6.698
  716    HG3  GLU  97           HG3      GLU  97  19.596  -2.514  -5.675
  717    H    ASP  98           H        ASP  98  23.575  -0.279  -4.852
  718    HA   ASP  98           HA       ASP  98  23.412   2.455  -3.766
  719    HB2  ASP  98           HB2      ASP  98  25.052   1.270  -2.382
  720    HB3  ASP  98           HB3      ASP  98  25.993   0.884  -3.840
  721    H    TRP  99           H        TRP  99  23.181   3.809  -5.409
  722    HA   TRP  99           HA       TRP  99  24.146   3.130  -8.104
  723    HB2  TRP  99           HB2      TRP  99  22.528   5.480  -7.080
  724    HB3  TRP  99           HB3      TRP  99  22.947   5.194  -8.748
  725    HD1  TRP  99           HD1      TRP  99  22.036   1.849  -7.436
  726    HE1  TRP  99           HE1      TRP  99  19.674   1.229  -8.084
  727    HE3  TRP  99           HE3      TRP  99  20.390   6.494  -8.793
  728    HZ2  TRP  99           HZ2      TRP  99  17.159   2.690  -8.685
  729    HZ3  TRP  99           HZ3      TRP  99  17.995   6.875  -9.275
  730    HH2  TRP  99           HH2      TRP  99  16.401   5.001  -9.180
  731    H    GLN 100           H        GLN 100  26.332   3.186  -7.983
  732    HA   GLN 100           HA       GLN 100  27.917   5.367  -7.057
  733    HB2  GLN 100           HB2      GLN 100  28.767   3.131  -7.508
  734    HB3  GLN 100           HB3      GLN 100  28.399   3.271  -9.227
  735    HG2  GLN 100           HG2      GLN 100  30.168   4.746  -9.634
  736    HG3  GLN 100           HG3      GLN 100  30.209   5.343  -7.977
  737   HE21  GLN 100          HE22      GLN 100  30.965   3.854  -6.267
  738   HE22  GLN 100          HE21      GLN 100  32.134   2.595  -6.647
  739    H    LEU 101           H        LEU 101  27.869   7.417  -7.819
  740    HA   LEU 101           HA       LEU 101  27.203   8.084 -10.616
  741    HB2  LEU 101           HB2      LEU 101  25.618   8.809  -8.109
  742    HB3  LEU 101           HB3      LEU 101  25.527   9.778  -9.571
  743    HG   LEU 101           HG       LEU 101  24.727   6.831  -9.466
  744   HD11  LEU 101          HD11      LEU 101  22.430   7.695  -9.469
  745   HD12  LEU 101          HD12      LEU 101  23.318   8.127  -8.005
  746   HD13  LEU 101          HD13      LEU 101  23.067   9.352  -9.256
  747   HD21  LEU 101          HD21      LEU 101  23.582   7.293 -11.569
  748   HD22  LEU 101          HD22      LEU 101  24.298   8.915 -11.627
  749   HD23  LEU 101          HD23      LEU 101  25.330   7.473 -11.723
  750    H    GLU 102           H        GLU 102  27.923  10.201 -11.106
  751    HA   GLU 102           HA       GLU 102  30.059  11.126  -9.420
  752    HB2  GLU 102           HB2      GLU 102  29.173  11.838 -12.240
  753    HB3  GLU 102           HB3      GLU 102  30.538  12.630 -11.444
  754    HG2  GLU 102           HG2      GLU 102  30.337   9.626 -11.838
  755    HG3  GLU 102           HG3      GLU 102  31.141  10.722 -12.966
  756    H    ASP 103           H        ASP 103  28.430  11.530  -7.879
  757    HA   ASP 103           HA       ASP 103  26.809  13.198  -6.957
  758    HB2  ASP 103           HB2      ASP 103  28.436  12.403  -5.490
  759    HB3  ASP 103           HB3      ASP 103  29.740  13.330  -6.245
  760    HA   PRO 104           HA       PRO 104  27.390  16.494 -10.000
  761    HB2  PRO 104           HB2      PRO 104  24.592  17.138  -9.178
  762    HB3  PRO 104           HB3      PRO 104  25.377  17.118 -10.809
  763    HG2  PRO 104           HG2      PRO 104  23.872  15.021  -9.981
  764    HG3  PRO 104           HG3      PRO 104  25.402  14.797 -10.901
  765    HD2  PRO 104           HD2      PRO 104  24.911  14.464  -7.962
  766    HD3  PRO 104           HD3      PRO 104  25.952  13.503  -9.066
  767    H    ASP 105           H        ASP 105  27.262  16.939  -6.684
  768    HA   ASP 105           HA       ASP 105  26.764  19.715  -6.358
  769    HB2  ASP 105           HB2      ASP 105  26.838  18.092  -4.545
  770    HB3  ASP 105           HB3      ASP 105  28.574  17.876  -4.764
  771    H    GLY 106           H        GLY 106  27.679  20.950  -7.890
  772    HA2  GLY 106           HA2      GLY 106  29.188  22.703  -8.177
  773    HA3  GLY 106           HA3      GLY 106  30.453  21.778  -7.358
  774    H    GLN 107           H        GLN 107  28.652  20.111  -9.897
  775    HA   GLN 107           HA       GLN 107  31.206  19.880 -11.341
  776    HB2  GLN 107           HB2      GLN 107  28.632  18.357 -11.791
  777    HB3  GLN 107           HB3      GLN 107  30.262  17.908 -12.307
  778    HG2  GLN 107           HG2      GLN 107  29.383  18.078  -9.404
  779    HG3  GLN 107           HG3      GLN 107  29.347  16.631 -10.419
  780   HE21  GLN 107          HE22      GLN 107  30.570  15.844  -8.522
  781   HE22  GLN 107          HE21      GLN 107  32.324  15.893  -8.666
  782    H    SER 108           H        SER 108  30.831  19.314 -13.773
  783    HA   SER 108           HA       SER 108  29.970  21.693 -15.192
  784    HB2  SER 108           HB2      SER 108  30.951  18.938 -16.058
  785    HB3  SER 108           HB3      SER 108  30.833  20.366 -17.116
  786    HG   SER 108           HG       SER 108  32.959  20.058 -16.307
  787    H    LEU 109           H        LEU 109  28.276  21.680 -16.852
  788    HA   LEU 109           HA       LEU 109  25.883  20.374 -16.159
  789    HB2  LEU 109           HB2      LEU 109  26.734  21.432 -18.882
  790    HB3  LEU 109           HB3      LEU 109  25.089  20.952 -18.459
  791    HG   LEU 109           HG       LEU 109  26.637  23.207 -17.121
  792   HD11  LEU 109          HD11      LEU 109  25.088  24.698 -18.335
  793   HD12  LEU 109          HD12      LEU 109  26.031  23.713 -19.462
  794   HD13  LEU 109          HD13      LEU 109  24.337  23.294 -19.127
  795   HD21  LEU 109          HD21      LEU 109  23.731  22.323 -16.793
  796   HD22  LEU 109          HD22      LEU 109  25.002  22.275 -15.552
  797   HD23  LEU 109          HD23      LEU 109  24.419  23.827 -16.146
  798    H    GLU 110           H        GLU 110  28.451  19.297 -18.370
  799    HA   GLU 110           HA       GLU 110  27.053  17.125 -19.508
  800    HB2  GLU 110           HB2      GLU 110  29.174  18.095 -20.320
  801    HB3  GLU 110           HB3      GLU 110  30.027  17.430 -18.919
  802    HG2  GLU 110           HG2      GLU 110  29.462  15.129 -19.648
  803    HG3  GLU 110           HG3      GLU 110  28.523  15.773 -20.998
  804    H    VAL 111           H        VAL 111  28.840  17.382 -16.396
  805    HA   VAL 111           HA       VAL 111  28.654  14.566 -15.757
  806    HB   VAL 111           HB       VAL 111  29.084  17.008 -14.021
  807   HG11  VAL 111          HG11      VAL 111  28.237  15.297 -12.556
  808   HG12  VAL 111          HG12      VAL 111  29.258  14.057 -13.324
  809   HG13  VAL 111          HG13      VAL 111  29.989  15.337 -12.341
  810   HG21  VAL 111          HG21      VAL 111  30.922  16.602 -15.650
  811   HG22  VAL 111          HG22      VAL 111  31.452  16.281 -13.997
  812   HG23  VAL 111          HG23      VAL 111  31.053  14.929 -15.077
  813    H    PHE 112           H        PHE 112  26.754  17.518 -14.966
  814    HA   PHE 112           HA       PHE 112  24.774  16.307 -13.357
  815    HB2  PHE 112           HB2      PHE 112  24.875  18.746 -15.133
  816    HB3  PHE 112           HB3      PHE 112  23.340  18.178 -14.561
  817    HD1  PHE 112           HD2      PHE 112  22.750  18.123 -12.149
  818    HD2  PHE 112           HD1      PHE 112  26.424  19.860 -13.606
  819    HE1  PHE 112           HE2      PHE 112  23.063  19.293  -9.988
  820    HE2  PHE 112           HE1      PHE 112  26.751  20.975 -11.420
  821    HZ   PHE 112           HZ       PHE 112  25.134  20.619  -9.607
  822    H    ARG 113           H        ARG 113  24.680  16.862 -16.939
  823    HA   ARG 113           HA       ARG 113  22.246  15.464 -17.352
  824    HB2  ARG 113           HB2      ARG 113  24.590  16.250 -19.102
  825    HB3  ARG 113           HB3      ARG 113  23.326  15.216 -19.765
  826    HG2  ARG 113           HG2      ARG 113  21.723  16.835 -19.766
  827    HG3  ARG 113           HG3      ARG 113  22.324  17.613 -18.306
  828    HD2  ARG 113           HD2      ARG 113  24.088  18.710 -19.475
  829    HD3  ARG 113           HD3      ARG 113  23.699  17.849 -20.989
  830    HE   ARG 113           HE       ARG 113  21.360  19.199 -20.148
  831   HH11  ARG 113          HH11      ARG 113  24.649  20.074 -21.223
  832   HH12  ARG 113          HH12      ARG 113  24.174  21.584 -21.902
  833   HH21  ARG 113          HH21      ARG 113  20.721  21.140 -21.138
  834   HH22  ARG 113          HH22      ARG 113  21.890  22.225 -21.836
  835    H    THR 114           H        THR 114  25.646  14.156 -17.322
  836    HA   THR 114           HA       THR 114  24.929  11.579 -18.209
  837    HB   THR 114           HB       THR 114  27.171  12.608 -16.404
  838    HG1  THR 114           HG1      THR 114  27.317  13.557 -18.344
  839   HG21  THR 114          HG21      THR 114  26.910   9.994 -17.920
  840   HG22  THR 114          HG22      THR 114  28.407  10.606 -17.161
  841   HG23  THR 114          HG23      THR 114  27.004  10.212 -16.152
  842    H    VAL 115           H        VAL 115  25.282  12.899 -14.843
  843    HA   VAL 115           HA       VAL 115  24.419  10.502 -13.584
  844    HB   VAL 115           HB       VAL 115  24.554  13.362 -12.700
  845   HG11  VAL 115          HG11      VAL 115  24.330  12.466 -10.328
  846   HG12  VAL 115          HG12      VAL 115  22.840  12.442 -11.269
  847   HG13  VAL 115          HG13      VAL 115  23.762  10.951 -11.025
  848   HG21  VAL 115          HG21      VAL 115  26.718  12.246 -13.102
  849   HG22  VAL 115          HG22      VAL 115  26.486  12.540 -11.380
  850   HG23  VAL 115          HG23      VAL 115  26.230  10.907 -12.040
  851    H    ARG 116           H        ARG 116  22.549  13.444 -14.585
  852    HA   ARG 116           HA       ARG 116  20.099  12.602 -13.503
  853    HB2  ARG 116           HB2      ARG 116  20.588  14.873 -14.586
  854    HB3  ARG 116           HB3      ARG 116  20.455  14.070 -16.159
  855    HG2  ARG 116           HG2      ARG 116  18.119  13.202 -15.089
  856    HG3  ARG 116           HG3      ARG 116  18.400  14.559 -14.014
  857    HD2  ARG 116           HD2      ARG 116  16.819  14.890 -15.942
  858    HD3  ARG 116           HD3      ARG 116  18.074  16.112 -15.798
  859    HE   ARG 116           HE       ARG 116  18.290  13.776 -17.680
  860   HH11  ARG 116          HH11      ARG 116  18.009  17.272 -17.380
  861   HH12  ARG 116          HH12      ARG 116  19.078  17.647 -18.702
  862   HH21  ARG 116          HH21      ARG 116  19.444  14.237 -19.647
  863   HH22  ARG 116          HH22      ARG 116  19.649  15.871 -20.152
  864    H    GLY 117           H        GLY 117  21.551  11.870 -16.720
  865    HA2  GLY 117           HA2      GLY 117  19.386  10.361 -17.702
  866    HA3  GLY 117           HA3      GLY 117  21.092  10.184 -18.209
  867    H    GLN 118           H        GLN 118  22.333   9.226 -15.876
  868    HA   GLN 118           HA       GLN 118  21.564   6.497 -15.874
  869    HB2  GLN 118           HB2      GLN 118  23.298   8.119 -13.963
  870    HB3  GLN 118           HB3      GLN 118  22.999   6.391 -13.792
  871    HG2  GLN 118           HG2      GLN 118  23.874   6.193 -16.245
  872    HG3  GLN 118           HG3      GLN 118  24.512   7.821 -15.982
  873   HE21  GLN 118          HE22      GLN 118  26.716   7.649 -15.476
  874   HE22  GLN 118          HE21      GLN 118  27.397   6.435 -14.423
  875    H    VAL 119           H        VAL 119  21.192   8.940 -13.314
  876    HA   VAL 119           HA       VAL 119  19.636   7.594 -11.488
  877    HB   VAL 119           HB       VAL 119  19.515  10.532 -12.321
  878   HG11  VAL 119          HG11      VAL 119  18.265   9.199  -9.897
  879   HG12  VAL 119          HG12      VAL 119  18.449  10.956 -10.133
  880   HG13  VAL 119          HG13      VAL 119  17.408  10.018 -11.212
  881   HG21  VAL 119          HG21      VAL 119  20.688   9.237  -9.816
  882   HG22  VAL 119          HG22      VAL 119  21.673   9.578 -11.245
  883   HG23  VAL 119          HG23      VAL 119  20.901  10.906 -10.369
  884    H    LYS 120           H        LYS 120  18.240   9.429 -14.368
  885    HA   LYS 120           HA       LYS 120  15.606   8.708 -13.613
  886    HB2  LYS 120           HB2      LYS 120  16.064  10.578 -15.125
  887    HB3  LYS 120           HB3      LYS 120  16.820   9.495 -16.305
  888    HG2  LYS 120           HG2      LYS 120  14.651   8.373 -16.698
  889    HG3  LYS 120           HG3      LYS 120  13.874   9.447 -15.510
  890    HD2  LYS 120           HD2      LYS 120  14.404  11.415 -16.928
  891    HD3  LYS 120           HD3      LYS 120  15.283  10.364 -18.061
  892    HE2  LYS 120           HE2      LYS 120  13.124   9.031 -18.343
  893    HE3  LYS 120           HE3      LYS 120  12.299  10.292 -17.422
  894    HZ1  LYS 120           HZ1      LYS 120  13.000  11.875 -19.161
  895    HZ2  LYS 120           HZ2      LYS 120  13.712  10.669 -20.005
  896    HZ3  LYS 120           HZ3      LYS 120  12.101  10.669 -19.791
  897    H    GLU 121           H        GLU 121  17.909   7.138 -15.824
  898    HA   GLU 121           HA       GLU 121  16.245   5.095 -16.799
  899    HB2  GLU 121           HB2      GLU 121  18.236   5.440 -17.975
  900    HB3  GLU 121           HB3      GLU 121  19.140   5.796 -16.525
  901    HG2  GLU 121           HG2      GLU 121  20.128   3.973 -17.386
  902    HG3  GLU 121           HG3      GLU 121  19.342   3.528 -15.895
  903    H    ARG 122           H        ARG 122  18.275   5.359 -13.844
  904    HA   ARG 122           HA       ARG 122  17.876   2.607 -13.090
  905    HB2  ARG 122           HB2      ARG 122  18.984   5.013 -11.620
  906    HB3  ARG 122           HB3      ARG 122  18.941   3.365 -10.975
  907    HG2  ARG 122           HG2      ARG 122  20.513   2.519 -12.465
  908    HG3  ARG 122           HG3      ARG 122  20.384   3.889 -13.570
  909    HD2  ARG 122           HD2      ARG 122  21.308   5.400 -11.834
  910    HD3  ARG 122           HD3      ARG 122  21.431   4.053 -10.710
  911    HE   ARG 122           HE       ARG 122  23.152   4.629 -13.035
  912   HH11  ARG 122          HH11      ARG 122  22.377   2.258 -10.503
  913   HH12  ARG 122          HH12      ARG 122  23.934   1.513 -10.553
  914   HH21  ARG 122          HH21      ARG 122  25.203   3.779 -13.004
  915   HH22  ARG 122          HH22      ARG 122  25.602   2.401 -12.023
  916    H    VAL 123           H        VAL 123  16.350   5.742 -11.820
  917    HA   VAL 123           HA       VAL 123  14.517   4.579 -10.141
  918    HB   VAL 123           HB       VAL 123  14.099   6.888 -12.080
  919   HG11  VAL 123          HG11      VAL 123  12.490   6.046  -9.617
  920   HG12  VAL 123          HG12      VAL 123  12.327   7.583 -10.494
  921   HG13  VAL 123          HG13      VAL 123  11.908   6.070 -11.292
  922   HG21  VAL 123          HG21      VAL 123  14.825   6.877  -9.116
  923   HG22  VAL 123          HG22      VAL 123  15.938   7.272 -10.416
  924   HG23  VAL 123          HG23      VAL 123  14.549   8.308 -10.120
  925    H    GLU 124           H        GLU 124  14.228   4.846 -13.779
  926    HA   GLU 124           HA       GLU 124  11.691   3.621 -13.873
  927    HB2  GLU 124           HB2      GLU 124  13.964   3.879 -15.877
  928    HB3  GLU 124           HB3      GLU 124  12.528   2.963 -16.299
  929    HG2  GLU 124           HG2      GLU 124  12.362   5.842 -15.353
  930    HG3  GLU 124           HG3      GLU 124  12.656   5.410 -17.028
  931    H    ASN 125           H        ASN 125  14.927   2.168 -13.941
  932    HA   ASN 125           HA       ASN 125  14.079  -0.526 -14.375
  933    HB2  ASN 125           HB2      ASN 125  16.569   0.660 -13.111
  934    HB3  ASN 125           HB3      ASN 125  16.246  -1.055 -12.996
  935   HD21  ASN 125          HD22      ASN 125  16.562   1.554 -15.458
  936   HD22  ASN 125          HD21      ASN 125  17.423   0.555 -16.595
  937    H    LEU 126           H        LEU 126  14.611   1.396 -11.417
  938    HA   LEU 126           HA       LEU 126  14.106  -0.745  -9.650
  939    HB2  LEU 126           HB2      LEU 126  14.828   0.595  -8.072
  940    HB3  LEU 126           HB3      LEU 126  15.154   1.737  -9.350
  941    HG   LEU 126           HG       LEU 126  12.723   2.554  -8.959
  942   HD11  LEU 126          HD11      LEU 126  12.204   0.567  -7.366
  943   HD12  LEU 126          HD12      LEU 126  13.291   1.324  -6.224
  944   HD13  LEU 126          HD13      LEU 126  11.820   2.181  -6.737
  945   HD21  LEU 126          HD21      LEU 126  13.378   4.216  -7.533
  946   HD22  LEU 126          HD22      LEU 126  14.479   3.181  -6.614
  947   HD23  LEU 126          HD23      LEU 126  14.921   3.708  -8.237
  948    H    ILE 127           H        ILE 127  11.871   1.793 -10.809
  949    HA   ILE 127           HA       ILE 127   9.518   0.878  -9.557
  950    HB   ILE 127           HB       ILE 127  10.102   2.226 -12.228
  951   HG12  ILE 127          HG12      ILE 127   8.662   3.317  -9.760
  952   HG13  ILE 127          HG13      ILE 127  10.407   3.468  -9.981
  953   HG21  ILE 127          HG21      ILE 127   7.622   2.711 -12.360
  954   HG22  ILE 127          HG22      ILE 127   8.042   1.023 -12.602
  955   HG23  ILE 127          HG23      ILE 127   7.392   1.537 -11.035
  956   HD11  ILE 127          HD11      ILE 127   9.990   4.740 -12.116
  957   HD12  ILE 127          HD12      ILE 127   8.255   4.742 -11.737
  958   HD13  ILE 127          HD13      ILE 127   9.391   5.540 -10.652
  959    H    ALA 128           H        ALA 128  11.187  -0.383 -12.504
  960    HA   ALA 128           HA       ALA 128   8.961  -1.945 -13.335
  961    HB1  ALA 128           HB1      ALA 128  10.865  -1.348 -14.821
  962    HB2  ALA 128           HB2      ALA 128  11.905  -2.473 -13.913
  963    HB3  ALA 128           HB3      ALA 128  10.517  -3.088 -14.822
  964    H    LYS 129           H        LYS 129  11.526  -2.568 -11.009
  965    HA   LYS 129           HA       LYS 129  11.145  -5.377 -10.688
  966    HB2  LYS 129           HB2      LYS 129  12.289  -3.261  -8.859
  967    HB3  LYS 129           HB3      LYS 129  12.424  -5.004  -8.578
  968    HG2  LYS 129           HG2      LYS 129  13.707  -5.282 -10.654
  969    HG3  LYS 129           HG3      LYS 129  13.465  -3.589 -11.066
  970    HD2  LYS 129           HD2      LYS 129  14.606  -3.117  -8.731
  971    HD3  LYS 129           HD3      LYS 129  15.197  -4.786  -8.931
  972    HE2  LYS 129           HE2      LYS 129  15.821  -3.896 -11.371
  973    HE3  LYS 129           HE3      LYS 129  15.681  -2.300 -10.607
  974    HZ1  LYS 129           HZ1      LYS 129  17.513  -4.465  -9.727
  975    HZ2  LYS 129           HZ2      LYS 129  17.955  -3.148 -10.576
  976    HZ3  LYS 129           HZ3      LYS 129  17.423  -2.974  -9.042
  977    H    ILE 130           H        ILE 130   9.748  -2.492  -9.104
  978    HA   ILE 130           HA       ILE 130   8.428  -4.110  -7.106
  979    HB   ILE 130           HB       ILE 130   7.895  -1.835  -6.177
  980   HG12  ILE 130          HG12      ILE 130   9.654  -0.808  -8.311
  981   HG13  ILE 130          HG13      ILE 130   7.970  -0.401  -8.025
  982   HG21  ILE 130          HG21      ILE 130  10.870  -2.383  -6.628
  983   HG22  ILE 130          HG22      ILE 130  10.129  -1.706  -5.166
  984   HG23  ILE 130          HG23      ILE 130   9.869  -3.396  -5.562
  985   HD11  ILE 130          HD11      ILE 130  10.316   0.265  -6.192
  986   HD12  ILE 130          HD12      ILE 130   9.487   1.385  -7.262
  987   HD13  ILE 130          HD13      ILE 130   8.624   0.671  -5.874
  988    H    SER 131           H        SER 131   7.532  -2.238  -9.850
  989    HA   SER 131           HA       SER 131   4.890  -1.638  -9.611
  990    HB2  SER 131           HB2      SER 131   6.312  -2.876 -12.007
  991    HB3  SER 131           HB3      SER 131   4.698  -2.145 -12.074
  992    HG   SER 131           HG       SER 131   7.167  -0.926 -11.363
  Start of MODEL   13
    1    H    MET   1           H        MET   1   1.796  -1.442  -2.814
    2    HA   MET   1           HA       MET   1   2.612   0.569  -3.774
    3    HB2  MET   1           HB2      MET   1   0.981   2.125  -2.975
    4    HB3  MET   1           HB3      MET   1   1.409   1.844  -1.283
    5    HG2  MET   1           HG2      MET   1   3.483   2.978  -1.492
    6    HG3  MET   1           HG3      MET   1   3.407   2.994  -3.246
    7    HE1  MET   1           HE1      MET   1   2.257   4.721  -4.729
    8    HE2  MET   1           HE2      MET   1   0.684   4.070  -4.212
    9    HE3  MET   1           HE3      MET   1   0.978   5.819  -4.173
   10    H    LYS   2           H        LYS   2   4.759   1.067  -3.484
   11    HA   LYS   2           HA       LYS   2   6.094  -0.097  -1.060
   12    HB2  LYS   2           HB2      LYS   2   6.824   0.018  -3.979
   13    HB3  LYS   2           HB3      LYS   2   8.104   0.444  -2.847
   14    HG2  LYS   2           HG2      LYS   2   8.458  -1.779  -3.026
   15    HG3  LYS   2           HG3      LYS   2   7.422  -1.721  -1.591
   16    HD2  LYS   2           HD2      LYS   2   5.460  -2.261  -3.116
   17    HD3  LYS   2           HD3      LYS   2   6.637  -2.561  -4.397
   18    HE2  LYS   2           HE2      LYS   2   6.323  -4.024  -1.737
   19    HE3  LYS   2           HE3      LYS   2   6.094  -4.695  -3.353
   20    HZ1  LYS   2           HZ1      LYS   2   8.228  -5.360  -2.343
   21    HZ2  LYS   2           HZ2      LYS   2   8.510  -4.456  -3.686
   22    HZ3  LYS   2           HZ3      LYS   2   8.673  -3.828  -2.160
   23    H    LYS   3           H        LYS   3   7.348   1.207   0.207
   24    HA   LYS   3           HA       LYS   3   7.501   4.089  -0.506
   25    HB2  LYS   3           HB2      LYS   3   7.683   2.523   2.071
   26    HB3  LYS   3           HB3      LYS   3   8.634   3.989   1.948
   27    HG2  LYS   3           HG2      LYS   3   6.770   5.339   1.217
   28    HG3  LYS   3           HG3      LYS   3   5.681   3.934   1.190
   29    HD2  LYS   3           HD2      LYS   3   5.786   3.726   3.599
   30    HD3  LYS   3           HD3      LYS   3   7.105   4.924   3.690
   31    HE2  LYS   3           HE2      LYS   3   5.621   6.669   2.838
   32    HE3  LYS   3           HE3      LYS   3   4.286   5.511   2.691
   33    HZ1  LYS   3           HZ1      LYS   3   4.246   6.869   4.764
   34    HZ2  LYS   3           HZ2      LYS   3   4.281   5.259   5.064
   35    HZ3  LYS   3           HZ3      LYS   3   5.644   6.130   5.249
   36    H    VAL   4           H        VAL   4   9.187   4.801  -1.531
   37    HA   VAL   4           HA       VAL   4  11.712   3.228  -1.586
   38    HB   VAL   4           HB       VAL   4  10.551   5.424  -3.362
   39   HG11  VAL   4          HG11      VAL   4  13.111   3.806  -3.760
   40   HG12  VAL   4          HG12      VAL   4  12.394   4.947  -4.917
   41   HG13  VAL   4          HG13      VAL   4  13.020   5.539  -3.385
   42   HG21  VAL   4          HG21      VAL   4  10.264   3.770  -5.079
   43   HG22  VAL   4          HG22      VAL   4  11.010   2.511  -4.100
   44   HG23  VAL   4          HG23      VAL   4   9.426   3.180  -3.639
   45    H    MET   5           H        MET   5  13.463   4.064  -0.604
   46    HA   MET   5           HA       MET   5  13.441   7.037  -0.139
   47    HB2  MET   5           HB2      MET   5  13.437   5.924   2.032
   48    HB3  MET   5           HB3      MET   5  14.894   5.013   1.595
   49    HG2  MET   5           HG2      MET   5  16.166   7.057   1.336
   50    HG3  MET   5           HG3      MET   5  14.737   8.060   1.490
   51    HE1  MET   5           HE1      MET   5  14.034   8.370   5.166
   52    HE2  MET   5           HE2      MET   5  13.754   8.968   3.515
   53    HE3  MET   5           HE3      MET   5  13.220   7.339   3.967
   54    H    PHE   6           H        PHE   6  15.150   8.245  -0.961
   55    HA   PHE   6           HA       PHE   6  17.350   6.714  -2.294
   56    HB2  PHE   6           HB2      PHE   6  16.374   9.494  -2.901
   57    HB3  PHE   6           HB3      PHE   6  17.788   8.688  -3.599
   58    HD1  PHE   6           HD2      PHE   6  17.557   6.744  -5.119
   59    HD2  PHE   6           HD1      PHE   6  14.121   8.892  -3.622
   60    HE1  PHE   6           HE2      PHE   6  16.133   5.719  -6.913
   61    HE2  PHE   6           HE1      PHE   6  12.724   7.741  -5.374
   62    HZ   PHE   6           HZ       PHE   6  13.718   6.216  -6.979
   63    H    VAL   7           H        VAL   7  19.396   7.013  -1.214
   64    HA   VAL   7           HA       VAL   7  19.485   9.118   0.913
   65    HB   VAL   7           HB       VAL   7  20.639   6.290   1.057
   66   HG11  VAL   7          HG11      VAL   7  21.868   7.998   2.401
   67   HG12  VAL   7          HG12      VAL   7  20.344   8.413   3.227
   68   HG13  VAL   7          HG13      VAL   7  21.067   6.796   3.394
   69   HG21  VAL   7          HG21      VAL   7  18.228   6.093   1.164
   70   HG22  VAL   7          HG22      VAL   7  18.919   5.833   2.765
   71   HG23  VAL   7          HG23      VAL   7  18.156   7.393   2.389
   72    H    CYS   8           H        CYS   8  21.092  10.596   0.379
   73    HA   CYS   8           HA       CYS   8  23.516   9.522  -1.029
   74    HB2  CYS   8           HB2      CYS   8  22.081  11.079  -2.378
   75    HB3  CYS   8           HB3      CYS   8  22.286  12.315  -1.138
   76    HG   CYS   8           HG       CYS   8  23.874  13.276  -2.639
   77    H    LYS   9           H        LYS   9  25.559  10.702  -0.647
   78    HA   LYS   9           HA       LYS   9  26.019  11.008   2.205
   79    HB2  LYS   9           HB2      LYS   9  27.659  10.848  -0.243
   80    HB3  LYS   9           HB3      LYS   9  28.254  12.077   0.881
   81    HG2  LYS   9           HG2      LYS   9  28.309  10.469   2.713
   82    HG3  LYS   9           HG3      LYS   9  27.594   9.209   1.691
   83    HD2  LYS   9           HD2      LYS   9  29.528   9.143   0.262
   84    HD3  LYS   9           HD3      LYS   9  30.261  10.548   1.043
   85    HE2  LYS   9           HE2      LYS   9  29.672   7.900   2.447
   86    HE3  LYS   9           HE3      LYS   9  31.218   8.291   1.687
   87    HZ1  LYS   9           HZ1      LYS   9  30.034   9.787   3.956
   88    HZ2  LYS   9           HZ2      LYS   9  31.288   8.751   4.041
   89    HZ3  LYS   9           HZ3      LYS   9  31.453  10.147   3.224
   90    H    ARG  10           H        ARG  10  24.650  13.117  -0.083
   91    HA   ARG  10           HA       ARG  10  24.373  15.140   1.879
   92    HB2  ARG  10           HB2      ARG  10  25.025  17.014   0.349
   93    HB3  ARG  10           HB3      ARG  10  26.338  16.138   1.109
   94    HG2  ARG  10           HG2      ARG  10  26.832  14.966  -1.031
   95    HG3  ARG  10           HG3      ARG  10  25.539  15.862  -1.848
   96    HD2  ARG  10           HD2      ARG  10  26.631  17.972  -1.478
   97    HD3  ARG  10           HD3      ARG  10  27.696  17.289  -0.241
   98    HE   ARG  10           HE       ARG  10  28.043  16.150  -2.921
   99   HH11  ARG  10          HH11      ARG  10  29.164  18.697  -0.679
  100   HH12  ARG  10          HH12      ARG  10  30.724  18.802  -1.405
  101   HH21  ARG  10          HH21      ARG  10  29.979  16.264  -3.806
  102   HH22  ARG  10          HH22      ARG  10  31.240  17.371  -3.281
  103    H    ASN  11           H        ASN  11  22.297  15.137   1.759
  104    HA   ASN  11           HA       ASN  11  20.726  14.202  -0.431
  105    HB2  ASN  11           HB2      ASN  11  20.025  14.090   1.956
  106    HB3  ASN  11           HB3      ASN  11  19.710  15.820   1.907
  107   HD21  ASN  11          HD22      ASN  11  17.410  15.063   2.432
  108   HD22  ASN  11          HD21      ASN  11  16.394  14.633   1.075
  109    H    SER  12           H        SER  12  22.193  16.100  -1.740
  110    HA   SER  12           HA       SER  12  20.432  18.477  -2.117
  111    HB2  SER  12           HB2      SER  12  22.696  19.509  -2.782
  112    HB3  SER  12           HB3      SER  12  22.349  19.230  -1.070
  113    HG   SER  12           HG       SER  12  24.471  18.547  -1.874
  114    H    CYS  13           H        CYS  13  22.104  15.829  -3.729
  115    HA   CYS  13           HA       CYS  13  21.324  16.957  -6.381
  116    HB2  CYS  13           HB2      CYS  13  23.999  15.673  -5.659
  117    HB3  CYS  13           HB3      CYS  13  23.461  16.159  -7.284
  118    HG   CYS  13           HG       CYS  13  25.255  17.807  -6.222
  119    H    ARG  14           H        ARG  14  23.070  13.892  -5.709
  120    HA   ARG  14           HA       ARG  14  21.809  12.535  -7.708
  121    HB2  ARG  14           HB2      ARG  14  22.685  11.226  -5.102
  122    HB3  ARG  14           HB3      ARG  14  22.425  10.396  -6.630
  123    HG2  ARG  14           HG2      ARG  14  24.385  11.503  -7.619
  124    HG3  ARG  14           HG3      ARG  14  24.635  12.433  -6.110
  125    HD2  ARG  14           HD2      ARG  14  24.749  10.345  -4.833
  126    HD3  ARG  14           HD3      ARG  14  24.539   9.387  -6.292
  127    HE   ARG  14           HE       ARG  14  26.738  10.135  -7.061
  128   HH11  ARG  14          HH11      ARG  14  26.071  10.267  -3.576
  129   HH12  ARG  14          HH12      ARG  14  27.737  10.105  -3.129
  130   HH21  ARG  14          HH21      ARG  14  28.857   9.714  -6.457
  131   HH22  ARG  14          HH22      ARG  14  29.378   9.942  -4.814
  132    H    SER  15           H        SER  15  20.801  12.519  -4.228
  133    HA   SER  15           HA       SER  15  18.630  10.659  -4.499
  134    HB2  SER  15           HB2      SER  15  18.155  11.594  -2.147
  135    HB3  SER  15           HB3      SER  15  19.736  10.867  -2.377
  136    HG   SER  15           HG       SER  15  19.205  13.319  -1.592
  137    H    GLN  16           H        GLN  16  18.855  14.215  -4.255
  138    HA   GLN  16           HA       GLN  16  16.112  14.843  -4.074
  139    HB2  GLN  16           HB2      GLN  16  18.544  16.311  -5.209
  140    HB3  GLN  16           HB3      GLN  16  16.975  17.072  -5.091
  141    HG2  GLN  16           HG2      GLN  16  18.409  15.856  -2.699
  142    HG3  GLN  16           HG3      GLN  16  18.541  17.545  -3.189
  143   HE21  GLN  16          HE22      GLN  16  17.699  17.073  -0.697
  144   HE22  GLN  16          HE21      GLN  16  16.048  17.696  -0.619
  145    H    MET  17           H        MET  17  18.235  14.538  -6.906
  146    HA   MET  17           HA       MET  17  16.280  15.110  -8.928
  147    HB2  MET  17           HB2      MET  17  18.930  13.617  -8.863
  148    HB3  MET  17           HB3      MET  17  18.053  13.969 -10.360
  149    HG2  MET  17           HG2      MET  17  18.379  16.285 -10.187
  150    HG3  MET  17           HG3      MET  17  18.642  16.240  -8.452
  151    HE1  MET  17           HE1      MET  17  21.888  15.090 -11.524
  152    HE2  MET  17           HE2      MET  17  20.612  13.941 -11.062
  153    HE3  MET  17           HE3      MET  17  20.199  15.471 -11.922
  154    H    ALA  18           H        ALA  18  17.506  12.016  -7.513
  155    HA   ALA  18           HA       ALA  18  15.910  10.313  -9.073
  156    HB1  ALA  18           HB1      ALA  18  17.806   9.631  -7.538
  157    HB2  ALA  18           HB2      ALA  18  16.696   9.860  -6.171
  158    HB3  ALA  18           HB3      ALA  18  16.339   8.649  -7.418
  159    H    GLU  19           H        GLU  19  15.080  12.100  -6.078
  160    HA   GLU  19           HA       GLU  19  12.547  10.835  -5.744
  161    HB2  GLU  19           HB2      GLU  19  13.386  12.032  -3.893
  162    HB3  GLU  19           HB3      GLU  19  13.517  13.551  -4.797
  163    HG2  GLU  19           HG2      GLU  19  11.058  13.657  -5.002
  164    HG3  GLU  19           HG3      GLU  19  10.900  12.109  -4.196
  165    H    GLY  20           H        GLY  20  13.400  13.911  -7.406
  166    HA2  GLY  20           HA2      GLY  20  10.792  14.641  -8.168
  167    HA3  GLY  20           HA3      GLY  20  12.274  15.056  -9.057
  168    H    PHE  21           H        PHE  21  13.091  12.414  -9.880
  169    HA   PHE  21           HA       PHE  21  11.234  11.940 -12.050
  170    HB2  PHE  21           HB2      PHE  21  13.552  10.230 -11.072
  171    HB3  PHE  21           HB3      PHE  21  12.649   9.967 -12.558
  172    HD1  PHE  21           HD2      PHE  21  12.458  12.153 -14.163
  173    HD2  PHE  21           HD1      PHE  21  15.577  11.393 -11.283
  174    HE1  PHE  21           HE2      PHE  21  13.872  13.967 -15.173
  175    HE2  PHE  21           HE1      PHE  21  16.945  13.200 -12.291
  176    HZ   PHE  21           HZ       PHE  21  16.018  14.516 -14.200
  177    H    ALA  22           H        ALA  22  11.915  10.123  -8.983
  178    HA   ALA  22           HA       ALA  22  10.182   7.983  -9.529
  179    HB1  ALA  22           HB1      ALA  22  10.277   7.620  -7.057
  180    HB2  ALA  22           HB2      ALA  22  11.875   7.931  -7.772
  181    HB3  ALA  22           HB3      ALA  22  11.029   9.219  -6.899
  182    H    LYS  23           H        LYS  23   9.344  11.066  -7.748
  183    HA   LYS  23           HA       LYS  23   6.643  10.165  -7.430
  184    HB2  LYS  23           HB2      LYS  23   6.210  12.625  -6.851
  185    HB3  LYS  23           HB3      LYS  23   7.198  11.643  -5.792
  186    HG2  LYS  23           HG2      LYS  23   9.117  12.719  -6.215
  187    HG3  LYS  23           HG3      LYS  23   8.662  13.230  -7.863
  188    HD2  LYS  23           HD2      LYS  23   7.292  14.317  -5.372
  189    HD3  LYS  23           HD3      LYS  23   8.844  14.983  -5.927
  190    HE2  LYS  23           HE2      LYS  23   7.947  15.420  -8.156
  191    HE3  LYS  23           HE3      LYS  23   6.373  14.732  -7.702
  192    HZ1  LYS  23           HZ1      LYS  23   7.577  17.172  -6.509
  193    HZ2  LYS  23           HZ2      LYS  23   6.346  17.148  -7.577
  194    HZ3  LYS  23           HZ3      LYS  23   6.131  16.535  -6.085
  195    H    THR  24           H        THR  24   8.248  11.435 -10.255
  196    HA   THR  24           HA       THR  24   5.672  12.149 -11.408
  197    HB   THR  24           HB       THR  24   8.473  11.929 -12.628
  198    HG1  THR  24           HG1      THR  24   8.650  13.518 -11.165
  199   HG21  THR  24          HG21      THR  24   7.556  13.489 -14.316
  200   HG22  THR  24          HG22      THR  24   6.707  11.934 -14.304
  201   HG23  THR  24          HG23      THR  24   5.950  13.354 -13.547
  202    H    LEU  25           H        LEU  25   8.164   9.641 -11.760
  203    HA   LEU  25           HA       LEU  25   6.893   8.266 -13.927
  204    HB2  LEU  25           HB2      LEU  25   9.166   7.524 -12.046
  205    HB3  LEU  25           HB3      LEU  25   8.736   6.621 -13.495
  206    HG   LEU  25           HG       LEU  25   9.739   9.510 -13.491
  207   HD11  LEU  25          HD11      LEU  25  11.443   8.042 -12.700
  208   HD12  LEU  25          HD12      LEU  25  11.092   6.825 -13.929
  209   HD13  LEU  25          HD13      LEU  25  11.815   8.384 -14.397
  210   HD21  LEU  25          HD21      LEU  25   8.348   9.023 -15.467
  211   HD22  LEU  25          HD22      LEU  25  10.052   9.115 -15.922
  212   HD23  LEU  25          HD23      LEU  25   9.264   7.528 -15.768
  213    H    GLY  26           H        GLY  26   7.277   7.650 -10.460
  214    HA2  GLY  26           HA2      GLY  26   5.775   5.105 -10.728
  215    HA3  GLY  26           HA3      GLY  26   7.008   5.487  -9.531
  216    H    ALA  27           H        ALA  27   5.333   8.287  -9.383
  217    HA   ALA  27           HA       ALA  27   3.726   7.662  -7.153
  218    HB1  ALA  27           HB1      ALA  27   2.484   9.795  -7.766
  219    HB2  ALA  27           HB2      ALA  27   4.237   9.963  -7.631
  220    HB3  ALA  27           HB3      ALA  27   3.478   9.882  -9.240
  221    H    GLY  28           H        GLY  28   2.190   6.190  -7.053
  222    HA2  GLY  28           HA2      GLY  28  -0.187   5.704  -8.007
  223    HA3  GLY  28           HA3      GLY  28   0.711   5.373  -9.498
  224    H    LYS  29           H        LYS  29   3.082   4.265  -8.031
  225    HA   LYS  29           HA       LYS  29   1.945   1.857  -6.693
  226    HB2  LYS  29           HB2      LYS  29   3.528   0.403  -7.733
  227    HB3  LYS  29           HB3      LYS  29   2.534   1.154  -8.973
  228    HG2  LYS  29           HG2      LYS  29   5.248   2.327  -8.281
  229    HG3  LYS  29           HG3      LYS  29   5.175   0.861  -9.241
  230    HD2  LYS  29           HD2      LYS  29   3.765   3.450  -9.974
  231    HD3  LYS  29           HD3      LYS  29   5.398   3.012 -10.490
  232    HE2  LYS  29           HE2      LYS  29   4.570   0.956 -11.565
  233    HE3  LYS  29           HE3      LYS  29   2.911   1.358 -11.102
  234    HZ1  LYS  29           HZ1      LYS  29   4.611   2.951 -12.941
  235    HZ2  LYS  29           HZ2      LYS  29   3.368   1.998 -13.377
  236    HZ3  LYS  29           HZ3      LYS  29   3.079   3.343 -12.508
  237    H    ILE  30           H        ILE  30   4.409   4.339  -6.880
  238    HA   ILE  30           HA       ILE  30   5.378   3.336  -4.249
  239    HB   ILE  30           HB       ILE  30   7.559   4.382  -4.750
  240   HG12  ILE  30          HG12      ILE  30   6.842   4.324  -7.685
  241   HG13  ILE  30          HG13      ILE  30   6.672   5.800  -6.722
  242   HG21  ILE  30          HG21      ILE  30   8.408   2.509  -6.074
  243   HG22  ILE  30          HG22      ILE  30   7.223   1.983  -4.883
  244   HG23  ILE  30          HG23      ILE  30   6.761   2.089  -6.593
  245   HD11  ILE  30          HD11      ILE  30   9.278   4.302  -7.224
  246   HD12  ILE  30          HD12      ILE  30   8.784   5.867  -7.870
  247   HD13  ILE  30          HD13      ILE  30   9.061   5.716  -6.124
  248    H    ALA  31           H        ALA  31   6.076   4.818  -2.763
  249    HA   ALA  31           HA       ALA  31   5.426   7.703  -3.170
  250    HB1  ALA  31           HB1      ALA  31   3.897   6.727  -1.506
  251    HB2  ALA  31           HB2      ALA  31   5.256   5.929  -0.676
  252    HB3  ALA  31           HB3      ALA  31   5.116   7.701  -0.665
  253    H    VAL  32           H        VAL  32   7.276   8.958  -2.890
  254    HA   VAL  32           HA       VAL  32   9.746   7.541  -2.136
  255    HB   VAL  32           HB       VAL  32   9.540   8.003  -4.422
  256   HG11  VAL  32          HG11      VAL  32   9.388  10.304  -5.383
  257   HG12  VAL  32          HG12      VAL  32   7.900   9.667  -4.702
  258   HG13  VAL  32          HG13      VAL  32   8.853  10.873  -3.791
  259   HG21  VAL  32          HG21      VAL  32  11.755   8.365  -3.368
  260   HG22  VAL  32          HG22      VAL  32  11.509   9.339  -4.829
  261   HG23  VAL  32          HG23      VAL  32  11.412  10.110  -3.262
  262    H    THR  33           H        THR  33  11.345   8.487  -0.941
  263    HA   THR  33           HA       THR  33  11.107  11.310  -0.214
  264    HB   THR  33           HB       THR  33  11.987   9.162   1.756
  265    HG1  THR  33           HG1      THR  33   9.418  10.257   1.354
  266   HG21  THR  33          HG21      THR  33  11.698  10.913   3.453
  267   HG22  THR  33          HG22      THR  33  12.809  11.462   2.189
  268   HG23  THR  33          HG23      THR  33  11.142  12.060   2.207
  269    H    SER  34           H        SER  34  13.068  12.321  -0.694
  270    HA   SER  34           HA       SER  34  15.522  10.684  -0.901
  271    HB2  SER  34           HB2      SER  34  16.464  12.807  -1.819
  272    HB3  SER  34           HB3      SER  34  15.181  12.034  -2.754
  273    HG   SER  34           HG       SER  34  13.712  13.581  -1.872
  274    H    CYS  35           H        CYS  35  17.355  11.081   0.398
  275    HA   CYS  35           HA       CYS  35  17.184  12.760   2.764
  276    HB2  CYS  35           HB2      CYS  35  16.660   9.784   2.736
  277    HB3  CYS  35           HB3      CYS  35  17.559  10.483   4.092
  278    HG   CYS  35           HG       CYS  35  14.837  11.898   2.948
  279    H    GLY  36           H        GLY  36  19.277  11.845   4.125
  280    HA2  GLY  36           HA2      GLY  36  21.264  10.542   2.553
  281    HA3  GLY  36           HA3      GLY  36  21.542  12.296   2.576
  282    H    LEU  37           H        LEU  37  23.405  10.742   3.525
  283    HA   LEU  37           HA       LEU  37  23.421  10.107   6.292
  284    HB2  LEU  37           HB2      LEU  37  25.608  11.018   4.426
  285    HB3  LEU  37           HB3      LEU  37  25.906  10.723   6.124
  286    HG   LEU  37           HG       LEU  37  26.521   8.829   4.828
  287   HD11  LEU  37          HD11      LEU  37  25.670   8.462   7.135
  288   HD12  LEU  37          HD12      LEU  37  24.082   8.041   6.454
  289   HD13  LEU  37          HD13      LEU  37  25.501   7.052   6.079
  290   HD21  LEU  37          HD21      LEU  37  24.908   9.013   2.942
  291   HD22  LEU  37          HD22      LEU  37  25.054   7.385   3.606
  292   HD23  LEU  37          HD23      LEU  37  23.640   8.364   4.016
  293    H    GLU  38           H        GLU  38  23.678  13.185   4.606
  294    HA   GLU  38           HA       GLU  38  22.951  14.615   7.043
  295    HB2  GLU  38           HB2      GLU  38  25.323  15.420   5.276
  296    HB3  GLU  38           HB3      GLU  38  24.535  16.476   6.453
  297    HG2  GLU  38           HG2      GLU  38  25.143  14.862   8.270
  298    HG3  GLU  38           HG3      GLU  38  26.043  13.907   7.084
  299    H    SER  39           H        SER  39  21.607  16.393   6.482
  300    HA   SER  39           HA       SER  39  20.512  16.508   3.801
  301    HB2  SER  39           HB2      SER  39  19.482  18.669   4.938
  302    HB3  SER  39           HB3      SER  39  18.924  17.054   5.374
  303    HG   SER  39           HG       SER  39  19.401  18.450   7.191
  304    H    SER  40           H        SER  40  20.594  18.469   2.480
  305    HA   SER  40           HA       SER  40  22.357  20.651   3.010
  306    HB2  SER  40           HB2      SER  40  23.142  18.616   0.867
  307    HB3  SER  40           HB3      SER  40  23.727  20.295   0.890
  308    HG   SER  40           HG       SER  40  23.967  18.806   3.234
  309    H    ARG  41           H        ARG  41  21.804  22.369   1.470
  310    HA   ARG  41           HA       ARG  41  19.127  22.314   0.672
  311    HB2  ARG  41           HB2      ARG  41  19.584  24.393  -0.550
  312    HB3  ARG  41           HB3      ARG  41  20.247  24.428   1.072
  313    HG2  ARG  41           HG2      ARG  41  22.456  24.419   0.359
  314    HG3  ARG  41           HG3      ARG  41  22.119  23.594  -1.159
  315    HD2  ARG  41           HD2      ARG  41  21.273  26.453  -0.575
  316    HD3  ARG  41           HD3      ARG  41  22.760  25.993  -1.428
  317    HE   ARG  41           HE       ARG  41  20.708  24.654  -2.762
  318   HH11  ARG  41          HH11      ARG  41  21.546  28.063  -2.217
  319   HH12  ARG  41          HH12      ARG  41  20.739  28.617  -3.636
  320   HH21  ARG  41          HH21      ARG  41  19.645  25.336  -4.543
  321   HH22  ARG  41          HH22      ARG  41  19.596  27.013  -5.016
  322    H    VAL  42           H        VAL  42  18.125  22.379  -1.422
  323    HA   VAL  42           HA       VAL  42  19.035  20.369  -3.263
  324    HB   VAL  42           HB       VAL  42  17.095  22.663  -3.803
  325   HG11  VAL  42          HG11      VAL  42  17.461  19.953  -5.178
  326   HG12  VAL  42          HG12      VAL  42  16.236  21.190  -5.558
  327   HG13  VAL  42          HG13      VAL  42  17.946  21.522  -5.848
  328   HG21  VAL  42          HG21      VAL  42  16.558  19.851  -2.756
  329   HG22  VAL  42          HG22      VAL  42  16.262  21.374  -1.896
  330   HG23  VAL  42          HG23      VAL  42  15.313  20.976  -3.332
  331    H    HIS  43           H        HIS  43  20.593  20.526  -4.806
  332    HA   HIS  43           HA       HIS  43  22.114  22.945  -5.046
  333    HB2  HIS  43           HB2      HIS  43  22.829  20.489  -5.191
  334    HB3  HIS  43           HB3      HIS  43  22.206  20.495  -6.842
  335    HD1  HIS  43           HD1      HIS  43  23.855  21.646  -8.624
  336    HD2  HIS  43           HD2      HIS  43  24.958  22.085  -4.594
  337    HE1  HIS  43           HE1      HIS  43  26.180  22.694  -8.624
  338    HA   PRO  44           HA       PRO  44  19.449  24.780  -7.922
  339    HB2  PRO  44           HB2      PRO  44  20.944  26.737  -9.148
  340    HB3  PRO  44           HB3      PRO  44  20.511  26.781  -7.413
  341    HG2  PRO  44           HG2      PRO  44  23.110  25.873  -8.668
  342    HG3  PRO  44           HG3      PRO  44  22.871  26.905  -7.226
  343    HD2  PRO  44           HD2      PRO  44  23.386  24.191  -7.134
  344    HD3  PRO  44           HD3      PRO  44  22.454  25.051  -5.860
  345    H    THR  45           H        THR  45  22.538  23.905  -9.658
  346    HA   THR  45           HA       THR  45  21.271  23.985 -12.161
  347    HB   THR  45           HB       THR  45  23.605  22.282 -11.189
  348    HG1  THR  45           HG1      THR  45  24.867  24.064 -11.691
  349   HG21  THR  45          HG21      THR  45  22.920  23.223 -14.001
  350   HG22  THR  45          HG22      THR  45  24.516  22.572 -13.505
  351   HG23  THR  45          HG23      THR  45  23.084  21.557 -13.402
  352    H    ALA  46           H        ALA  46  21.041  21.518  -9.683
  353    HA   ALA  46           HA       ALA  46  20.193  19.237 -11.141
  354    HB1  ALA  46           HB1      ALA  46  19.147  18.617  -9.086
  355    HB2  ALA  46           HB2      ALA  46  20.509  19.631  -8.558
  356    HB3  ALA  46           HB3      ALA  46  18.829  20.297  -8.624
  357    H    ILE  47           H        ILE  47  18.445  22.246 -10.198
  358    HA   ILE  47           HA       ILE  47  15.865  21.425 -10.767
  359    HB   ILE  47           HB       ILE  47  17.202  24.142 -11.078
  360   HG12  ILE  47          HG12      ILE  47  15.689  23.228  -8.594
  361   HG13  ILE  47          HG13      ILE  47  17.427  23.015  -8.735
  362   HG21  ILE  47          HG21      ILE  47  15.042  24.108 -12.146
  363   HG22  ILE  47          HG22      ILE  47  14.299  23.438 -10.677
  364   HG23  ILE  47          HG23      ILE  47  14.959  25.087 -10.683
  365   HD11  ILE  47          HD11      ILE  47  15.982  25.685  -8.779
  366   HD12  ILE  47          HD12      ILE  47  17.090  25.050  -7.553
  367   HD13  ILE  47          HD13      ILE  47  17.695  25.467  -9.174
  368    H    ALA  48           H        ALA  48  18.482  22.761 -12.812
  369    HA   ALA  48           HA       ALA  48  16.868  23.377 -15.039
  370    HB1  ALA  48           HB1      ALA  48  19.004  23.799 -16.171
  371    HB2  ALA  48           HB2      ALA  48  19.019  24.507 -14.538
  372    HB3  ALA  48           HB3      ALA  48  19.886  22.994 -14.859
  373    H    MET  49           H        MET  49  18.925  20.619 -14.164
  374    HA   MET  49           HA       MET  49  18.727  19.243 -16.609
  375    HB2  MET  49           HB2      MET  49  18.994  17.877 -13.944
  376    HB3  MET  49           HB3      MET  49  19.745  17.476 -15.510
  377    HG2  MET  49           HG2      MET  49  20.539  19.400 -13.403
  378    HG3  MET  49           HG3      MET  49  21.472  18.216 -14.263
  379    HE1  MET  49           HE1      MET  49  20.751  19.141 -17.342
  380    HE2  MET  49           HE2      MET  49  22.106  20.237 -17.698
  381    HE3  MET  49           HE3      MET  49  22.413  18.707 -16.853
  382    H    MET  50           H        MET  50  16.723  19.064 -13.649
  383    HA   MET  50           HA       MET  50  14.948  17.026 -14.670
  384    HB2  MET  50           HB2      MET  50  14.704  19.015 -12.365
  385    HB3  MET  50           HB3      MET  50  13.528  17.750 -12.744
  386    HG2  MET  50           HG2      MET  50  15.801  16.250 -12.812
  387    HG3  MET  50           HG3      MET  50  16.340  17.498 -11.721
  388    HE1  MET  50           HE1      MET  50  12.452  15.347 -11.328
  389    HE2  MET  50           HE2      MET  50  13.509  15.435 -12.759
  390    HE3  MET  50           HE3      MET  50  13.694  14.106 -11.586
  391    H    GLU  51           H        GLU  51  14.970  20.627 -14.747
  392    HA   GLU  51           HA       GLU  51  12.461  20.903 -16.031
  393    HB2  GLU  51           HB2      GLU  51  15.004  22.505 -15.934
  394    HB3  GLU  51           HB3      GLU  51  13.733  22.974 -17.060
  395    HG2  GLU  51           HG2      GLU  51  12.105  23.045 -15.155
  396    HG3  GLU  51           HG3      GLU  51  13.433  22.767 -14.033
  397    H    GLU  52           H        GLU  52  15.565  19.760 -17.325
  398    HA   GLU  52           HA       GLU  52  14.822  20.057 -20.070
  399    HB2  GLU  52           HB2      GLU  52  16.580  17.844 -18.968
  400    HB3  GLU  52           HB3      GLU  52  16.481  18.399 -20.629
  401    HG2  GLU  52           HG2      GLU  52  17.170  20.755 -19.645
  402    HG3  GLU  52           HG3      GLU  52  17.735  19.793 -18.282
  403    H    VAL  53           H        VAL  53  14.288  17.570 -17.592
  404    HA   VAL  53           HA       VAL  53  12.891  15.837 -19.556
  405    HB   VAL  53           HB       VAL  53  13.221  15.583 -16.557
  406   HG11  VAL  53          HG11      VAL  53  12.111  13.588 -18.592
  407   HG12  VAL  53          HG12      VAL  53  12.553  13.182 -16.923
  408   HG13  VAL  53          HG13      VAL  53  11.229  14.304 -17.227
  409   HG21  VAL  53          HG21      VAL  53  14.584  14.200 -18.927
  410   HG22  VAL  53          HG22      VAL  53  15.340  15.384 -17.852
  411   HG23  VAL  53          HG23      VAL  53  14.864  13.801 -17.226
  412    H    GLY  54           H        GLY  54  12.036  18.458 -17.426
  413    HA2  GLY  54           HA2      GLY  54  10.040  19.712 -17.883
  414    HA3  GLY  54           HA3      GLY  54   9.171  18.219 -18.257
  415    H    ILE  55           H        ILE  55  11.378  18.474 -15.503
  416    HA   ILE  55           HA       ILE  55   9.081  18.487 -13.584
  417    HB   ILE  55           HB       ILE  55  11.573  16.769 -13.418
  418   HG12  ILE  55          HG12      ILE  55   8.824  15.544 -13.744
  419   HG13  ILE  55          HG13      ILE  55   9.658  16.083 -15.187
  420   HG21  ILE  55          HG21      ILE  55  10.837  17.087 -11.161
  421   HG22  ILE  55          HG22      ILE  55   9.114  16.980 -11.626
  422   HG23  ILE  55          HG23      ILE  55  10.141  15.551 -11.619
  423   HD11  ILE  55          HD11      ILE  55  10.169  13.764 -14.826
  424   HD12  ILE  55          HD12      ILE  55  11.621  14.777 -14.670
  425   HD13  ILE  55          HD13      ILE  55  10.832  14.111 -13.215
  426    H    ASP  56           H        ASP  56  10.316  18.879 -11.223
  427    HA   ASP  56           HA       ASP  56  12.283  21.081 -11.443
  428    HB2  ASP  56           HB2      ASP  56  10.142  22.230 -11.612
  429    HB3  ASP  56           HB3      ASP  56   9.470  21.243 -10.302
  430    H    ILE  57           H        ILE  57  13.262  21.476  -9.374
  431    HA   ILE  57           HA       ILE  57  12.570  19.627  -7.193
  432    HB   ILE  57           HB       ILE  57  15.418  20.275  -7.368
  433   HG12  ILE  57          HG12      ILE  57  14.293  18.228  -9.284
  434   HG13  ILE  57          HG13      ILE  57  15.209  19.674  -9.718
  435   HG21  ILE  57          HG21      ILE  57  15.610  18.095  -6.344
  436   HG22  ILE  57          HG22      ILE  57  14.298  18.928  -5.584
  437   HG23  ILE  57          HG23      ILE  57  13.951  17.696  -6.843
  438   HD11  ILE  57          HD11      ILE  57  16.179  17.208  -8.290
  439   HD12  ILE  57          HD12      ILE  57  16.854  17.993  -9.737
  440   HD13  ILE  57          HD13      ILE  57  17.050  18.742  -8.140
  441    H    SER  58           H        SER  58  13.278  22.824  -8.142
  442    HA   SER  58           HA       SER  58  14.524  24.128  -6.189
  443    HB2  SER  58           HB2      SER  58  11.873  25.144  -7.268
  444    HB3  SER  58           HB3      SER  58  13.315  26.081  -6.830
  445    HG   SER  58           HG       SER  58  12.830  24.387  -9.041
  446    H    GLY  59           H        GLY  59  11.211  22.855  -5.755
  447    HA2  GLY  59           HA2      GLY  59  10.948  24.222  -3.140
  448    HA3  GLY  59           HA3      GLY  59   9.671  23.477  -4.098
  449    H    GLN  60           H        GLN  60  12.220  21.181  -4.027
  450    HA   GLN  60           HA       GLN  60  10.641  19.593  -2.207
  451    HB2  GLN  60           HB2      GLN  60  13.437  19.013  -3.297
  452    HB3  GLN  60           HB3      GLN  60  12.391  17.854  -2.471
  453    HG2  GLN  60           HG2      GLN  60  10.695  18.321  -4.397
  454    HG3  GLN  60           HG3      GLN  60  12.094  18.997  -5.242
  455   HE21  GLN  60          HE22      GLN  60  14.032  16.951  -4.065
  456   HE22  GLN  60          HE21      GLN  60  13.742  15.599  -5.130
  457    H    THR  61           H        THR  61  13.475  21.556  -1.759
  458    HA   THR  61           HA       THR  61  14.710  22.096   0.046
  459    HB   THR  61           HB       THR  61  13.831  22.247   2.159
  460    HG1  THR  61           HG1      THR  61  12.131  20.136   1.409
  461   HG21  THR  61          HG21      THR  61  11.641  23.200   1.904
  462   HG22  THR  61          HG22      THR  61  12.622  23.592   0.475
  463   HG23  THR  61          HG23      THR  61  11.373  22.311   0.370
  464    H    SER  62           H        SER  62  15.001  20.642   2.462
  465    HA   SER  62           HA       SER  62  16.102  18.038   1.544
  466    HB2  SER  62           HB2      SER  62  17.869  19.911   1.400
  467    HB3  SER  62           HB3      SER  62  17.893  19.843   3.172
  468    HG   SER  62           HG       SER  62  18.936  18.165   1.312
  469    H    ASP  63           H        ASP  63  16.885  16.700   3.334
  470    HA   ASP  63           HA       ASP  63  15.671  16.974   5.949
  471    HB2  ASP  63           HB2      ASP  63  14.030  16.020   3.837
  472    HB3  ASP  63           HB3      ASP  63  14.625  14.555   4.595
  473    HA   PRO  64           HA       PRO  64  19.100  13.933   5.973
  474    HB2  PRO  64           HB2      PRO  64  19.513  13.651   8.629
  475    HB3  PRO  64           HB3      PRO  64  19.857  15.197   7.802
  476    HG2  PRO  64           HG2      PRO  64  17.378  14.444   9.384
  477    HG3  PRO  64           HG3      PRO  64  18.364  15.933   9.517
  478    HD2  PRO  64           HD2      PRO  64  16.062  15.764   8.001
  479    HD3  PRO  64           HD3      PRO  64  17.422  16.843   7.576
  480    H    ILE  65           H        ILE  65  19.427  11.697   6.485
  481    HA   ILE  65           HA       ILE  65  17.211   9.931   6.455
  482    HB   ILE  65           HB       ILE  65  19.489   9.438   5.748
  483   HG12  ILE  65          HG12      ILE  65  18.274   7.482   7.745
  484   HG13  ILE  65          HG13      ILE  65  17.702   7.769   6.095
  485   HG21  ILE  65          HG21      ILE  65  20.185   8.936   8.676
  486   HG22  ILE  65          HG22      ILE  65  21.228   8.718   7.261
  487   HG23  ILE  65          HG23      ILE  65  20.753  10.341   7.746
  488   HD11  ILE  65          HD11      ILE  65  20.065   7.190   5.335
  489   HD12  ILE  65          HD12      ILE  65  20.306   6.507   6.965
  490   HD13  ILE  65          HD13      ILE  65  19.037   5.868   5.895
  491    H    GLU  66           H        GLU  66  19.031  11.323   9.145
  492    HA   GLU  66           HA       GLU  66  18.226   9.832  11.282
  493    HB2  GLU  66           HB2      GLU  66  18.577  12.859  11.326
  494    HB3  GLU  66           HB3      GLU  66  18.865  11.720  12.644
  495    HG2  GLU  66           HG2      GLU  66  20.706  10.692  11.174
  496    HG3  GLU  66           HG3      GLU  66  20.508  12.080  10.095
  497    H    ASN  67           H        ASN  67  16.186  12.076   9.501
  498    HA   ASN  67           HA       ASN  67  14.350  12.534  11.728
  499    HB2  ASN  67           HB2      ASN  67  14.965  14.257   9.994
  500    HB3  ASN  67           HB3      ASN  67  14.112  13.282   8.797
  501   HD21  ASN  67          HD22      ASN  67  12.676  15.014   8.388
  502   HD22  ASN  67          HD21      ASN  67  11.366  15.418   9.499
  503    H    PHE  68           H        PHE  68  14.776   9.837   9.679
  504    HA   PHE  68           HA       PHE  68  11.895   9.121   9.865
  505    HB2  PHE  68           HB2      PHE  68  13.876   8.546   7.630
  506    HB3  PHE  68           HB3      PHE  68  12.221   7.949   7.751
  507    HD1  PHE  68           HD2      PHE  68  14.297  10.968   7.134
  508    HD2  PHE  68           HD1      PHE  68  10.321   9.300   7.197
  509    HE1  PHE  68           HE2      PHE  68  13.434  12.990   6.017
  510    HE2  PHE  68           HE1      PHE  68   9.446  11.357   6.100
  511    HZ   PHE  68           HZ       PHE  68  11.003  13.212   5.512
  512    H    ASN  69           H        ASN  69  11.888   6.635   9.178
  513    HA   ASN  69           HA       ASN  69  13.837   5.074  10.759
  514    HB2  ASN  69           HB2      ASN  69  11.748   3.700  11.493
  515    HB3  ASN  69           HB3      ASN  69  12.206   5.145  12.390
  516   HD21  ASN  69          HD22      ASN  69  10.340   4.944   9.272
  517   HD22  ASN  69          HD21      ASN  69   8.907   5.710   9.940
  518    H    ALA  70           H        ALA  70  14.508   3.448   9.606
  519    HA   ALA  70           HA       ALA  70  13.902   3.004   6.984
  520    HB1  ALA  70           HB1      ALA  70  15.273   0.958   7.181
  521    HB2  ALA  70           HB2      ALA  70  15.973   2.198   8.238
  522    HB3  ALA  70           HB3      ALA  70  14.993   0.893   8.933
  523    H    ASP  71           H        ASP  71  12.282   1.534   9.737
  524    HA   ASP  71           HA       ASP  71  11.192  -0.743   8.517
  525    HB2  ASP  71           HB2      ASP  71  11.223  -0.335  10.938
  526    HB3  ASP  71           HB3      ASP  71  10.091   1.006  10.747
  527    H    ASP  72           H        ASP  72  10.317   2.613   8.017
  528    HA   ASP  72           HA       ASP  72   7.587   1.998   7.198
  529    HB2  ASP  72           HB2      ASP  72   8.142   4.047   8.453
  530    HB3  ASP  72           HB3      ASP  72   9.158   4.594   7.109
  531    H    TYR  73           H        TYR  73  10.759   2.038   5.755
  532    HA   TYR  73           HA       TYR  73   9.724   2.598   3.108
  533    HB2  TYR  73           HB2      TYR  73  12.511   2.643   4.270
  534    HB3  TYR  73           HB3      TYR  73  12.149   2.849   2.551
  535    HD1  TYR  73           HD2      TYR  73  10.881   4.802   1.733
  536    HD2  TYR  73           HD1      TYR  73  11.921   4.405   5.894
  537    HE1  TYR  73           HE2      TYR  73  10.210   7.140   2.112
  538    HE2  TYR  73           HE1      TYR  73  11.353   6.764   6.297
  539    HH   TYR  73           HH       TYR  73  10.095   8.860   3.582
  540    H    ASP  74           H        ASP  74   9.525   1.019   1.663
  541    HA   ASP  74           HA       ASP  74  10.059  -1.748   2.525
  542    HB2  ASP  74           HB2      ASP  74   7.944  -1.187   1.332
  543    HB3  ASP  74           HB3      ASP  74   8.885  -0.668  -0.062
  544    H    VAL  75           H        VAL  75  11.249   0.781   0.377
  545    HA   VAL  75           HA       VAL  75  13.512  -0.962  -0.468
  546    HB   VAL  75           HB       VAL  75  12.351  -1.181  -2.316
  547   HG11  VAL  75          HG11      VAL  75  10.269  -0.265  -1.843
  548   HG12  VAL  75          HG12      VAL  75  10.865   1.382  -2.096
  549   HG13  VAL  75          HG13      VAL  75  10.758   0.242  -3.452
  550   HG21  VAL  75          HG21      VAL  75  14.391   0.051  -2.972
  551   HG22  VAL  75          HG22      VAL  75  13.078   0.146  -4.141
  552   HG23  VAL  75          HG23      VAL  75  13.411   1.531  -3.077
  553    H    VAL  76           H        VAL  76  15.449  -0.072  -0.459
  554    HA   VAL  76           HA       VAL  76  15.612   2.898  -0.197
  555    HB   VAL  76           HB       VAL  76  15.752   2.400   1.976
  556   HG11  VAL  76          HG11      VAL  76  17.261  -0.164   1.459
  557   HG12  VAL  76          HG12      VAL  76  16.881   0.520   3.062
  558   HG13  VAL  76          HG13      VAL  76  15.578   0.028   2.002
  559   HG21  VAL  76          HG21      VAL  76  18.672   2.163   1.233
  560   HG22  VAL  76          HG22      VAL  76  17.730   3.671   1.283
  561   HG23  VAL  76          HG23      VAL  76  17.982   2.735   2.758
  562    H    ILE  77           H        ILE  77  16.939   3.839  -1.457
  563    HA   ILE  77           HA       ILE  77  18.971   2.317  -2.969
  564    HB   ILE  77           HB       ILE  77  17.136   4.622  -3.746
  565   HG12  ILE  77          HG12      ILE  77  15.907   2.542  -3.813
  566   HG13  ILE  77          HG13      ILE  77  16.252   3.083  -5.448
  567   HG21  ILE  77          HG21      ILE  77  19.384   3.295  -5.304
  568   HG22  ILE  77          HG22      ILE  77  18.169   4.410  -5.988
  569   HG23  ILE  77          HG23      ILE  77  19.306   4.979  -4.777
  570   HD11  ILE  77          HD11      ILE  77  18.036   1.418  -5.678
  571   HD12  ILE  77          HD12      ILE  77  17.815   0.896  -4.000
  572   HD13  ILE  77          HD13      ILE  77  16.524   0.634  -5.189
  573    H    SER  78           H        SER  78  20.750   2.737  -1.892
  574    HA   SER  78           HA       SER  78  21.308   5.443  -0.858
  575    HB2  SER  78           HB2      SER  78  22.887   2.868  -0.957
  576    HB3  SER  78           HB3      SER  78  23.641   4.453  -0.632
  577    HG   SER  78           HG       SER  78  23.054   3.625   1.305
  578    H    LEU  79           H        LEU  79  22.935   6.668  -1.796
  579    HA   LEU  79           HA       LEU  79  24.147   5.991  -4.318
  580    HB2  LEU  79           HB2      LEU  79  23.147   8.608  -4.843
  581    HB3  LEU  79           HB3      LEU  79  22.927   7.140  -5.745
  582    HG   LEU  79           HG       LEU  79  20.848   6.786  -4.066
  583   HD11  LEU  79          HD11      LEU  79  19.984   8.769  -3.159
  584   HD12  LEU  79          HD12      LEU  79  21.709   8.804  -2.750
  585   HD13  LEU  79          HD13      LEU  79  21.121   9.792  -4.078
  586   HD21  LEU  79          HD21      LEU  79  19.413   8.088  -5.589
  587   HD22  LEU  79          HD22      LEU  79  20.848   8.810  -6.339
  588   HD23  LEU  79          HD23      LEU  79  20.566   7.063  -6.449
  589    H    CYS  80           H        CYS  80  25.366   5.840  -2.174
  590    HA   CYS  80           HA       CYS  80  26.200   8.359  -0.925
  591    HB2  CYS  80           HB2      CYS  80  27.156   5.476  -0.649
  592    HB3  CYS  80           HB3      CYS  80  27.693   6.839   0.362
  593    HG   CYS  80           HG       CYS  80  25.975   5.372   1.698
  594    H    GLY  81           H        GLY  81  27.490   6.038  -3.317
  595    HA2  GLY  81           HA2      GLY  81  29.122   6.571  -4.981
  596    HA3  GLY  81           HA3      GLY  81  29.680   7.939  -4.014
  597    H    CYS  82           H        CYS  82  31.713   6.506  -4.665
  598    HA   CYS  82           HA       CYS  82  33.167   4.811  -4.452
  599    HB2  CYS  82           HB2      CYS  82  32.868   6.140  -1.771
  600    HB3  CYS  82           HB3      CYS  82  34.262   5.089  -2.157
  601    HG   CYS  82           HG       CYS  82  35.055   6.437  -4.245
  602    H    GLY  83           H        GLY  83  30.557   3.678  -4.248
  603    HA2  GLY  83           HA2      GLY  83  29.447   1.811  -3.663
  604    HA3  GLY  83           HA3      GLY  83  31.034   1.030  -3.474
  605    H    VAL  84           H        VAL  84  29.983   3.744  -1.440
  606    HA   VAL  84           HA       VAL  84  30.299   2.326   1.013
  607    HB   VAL  84           HB       VAL  84  29.196   5.004   0.276
  608   HG11  VAL  84          HG11      VAL  84  29.479   5.670   2.662
  609   HG12  VAL  84          HG12      VAL  84  28.192   4.495   2.436
  610   HG13  VAL  84          HG13      VAL  84  29.771   3.972   3.079
  611   HG21  VAL  84          HG21      VAL  84  31.849   4.221   1.548
  612   HG22  VAL  84          HG22      VAL  84  31.627   4.726  -0.137
  613   HG23  VAL  84          HG23      VAL  84  31.325   5.875   1.162
  614    H    ASN  85           H        ASN  85  28.559   2.061   2.567
  615    HA   ASN  85           HA       ASN  85  25.845   1.826   1.604
  616    HB2  ASN  85           HB2      ASN  85  25.395  -0.428   2.159
  617    HB3  ASN  85           HB3      ASN  85  26.805  -0.459   1.110
  618   HD21  ASN  85          HD22      ASN  85  28.924  -0.253   2.374
  619   HD22  ASN  85          HD21      ASN  85  29.115  -1.268   3.799
  620    H    LEU  86           H        LEU  86  24.475   0.958   3.614
  621    HA   LEU  86           HA       LEU  86  25.086   2.964   5.729
  622    HB2  LEU  86           HB2      LEU  86  22.487   1.603   4.957
  623    HB3  LEU  86           HB3      LEU  86  22.694   2.935   6.088
  624    HG   LEU  86           HG       LEU  86  23.160   3.023   3.075
  625   HD11  LEU  86          HD11      LEU  86  20.816   2.939   3.710
  626   HD12  LEU  86          HD12      LEU  86  21.032   4.322   4.822
  627   HD13  LEU  86          HD13      LEU  86  21.221   4.523   3.067
  628   HD21  LEU  86          HD21      LEU  86  24.757   4.545   4.086
  629   HD22  LEU  86          HD22      LEU  86  23.443   5.473   3.365
  630   HD23  LEU  86          HD23      LEU  86  23.493   5.250   5.129
  631    HA   PRO  87           HA       PRO  87  25.818  -0.609   8.451
  632    HB2  PRO  87           HB2      PRO  87  25.702   1.650  10.446
  633    HB3  PRO  87           HB3      PRO  87  26.813   0.251  10.383
  634    HG2  PRO  87           HG2      PRO  87  27.627   2.694   9.521
  635    HG3  PRO  87           HG3      PRO  87  28.060   1.218   8.598
  636    HD2  PRO  87           HD2      PRO  87  25.862   3.213   8.026
  637    HD3  PRO  87           HD3      PRO  87  27.005   2.427   6.898
  638    HA   PRO  88           HA       PRO  88  21.861   0.304  10.974
  639    HB2  PRO  88           HB2      PRO  88  20.074   2.287  10.271
  640    HB3  PRO  88           HB3      PRO  88  21.509   2.569  11.294
  641    HG2  PRO  88           HG2      PRO  88  21.341   2.914   8.266
  642    HG3  PRO  88           HG3      PRO  88  21.834   4.142   9.490
  643    HD2  PRO  88           HD2      PRO  88  23.560   2.722   8.139
  644    HD3  PRO  88           HD3      PRO  88  23.809   2.955   9.902
  645    H    GLU  89           H        GLU  89  19.364   0.150  10.634
  646    HA   GLU  89           HA       GLU  89  18.715  -2.063   9.139
  647    HB2  GLU  89           HB2      GLU  89  17.004   0.227  10.203
  648    HB3  GLU  89           HB3      GLU  89  16.325  -1.240   9.519
  649    HG2  GLU  89           HG2      GLU  89  16.262  -1.411  11.870
  650    HG3  GLU  89           HG3      GLU  89  17.375  -2.616  11.219
  651    H    TRP  90           H        TRP  90  19.098   1.071   7.858
  652    HA   TRP  90           HA       TRP  90  17.368   0.979   5.594
  653    HB2  TRP  90           HB2      TRP  90  19.965   2.462   6.109
  654    HB3  TRP  90           HB3      TRP  90  18.811   2.823   4.832
  655    HD1  TRP  90           HD1      TRP  90  19.452   3.505   8.462
  656    HE1  TRP  90           HE1      TRP  90  17.940   5.255   9.303
  657    HE3  TRP  90           HE3      TRP  90  16.169   3.449   4.574
  658    HZ2  TRP  90           HZ2      TRP  90  15.346   6.455   8.465
  659    HZ3  TRP  90           HZ3      TRP  90  14.159   4.878   4.637
  660    HH2  TRP  90           HH2      TRP  90  13.729   6.367   6.575
  661    H    VAL  91           H        VAL  91  19.727  -1.212   6.311
  662    HA   VAL  91           HA       VAL  91  20.226  -1.688   3.447
  663    HB   VAL  91           HB       VAL  91  22.163  -0.971   4.920
  664   HG11  VAL  91          HG11      VAL  91  22.159  -3.881   5.824
  665   HG12  VAL  91          HG12      VAL  91  23.328  -2.621   6.245
  666   HG13  VAL  91          HG13      VAL  91  21.677  -2.514   6.855
  667   HG21  VAL  91          HG21      VAL  91  22.492  -1.847   2.684
  668   HG22  VAL  91          HG22      VAL  91  23.783  -2.361   3.778
  669   HG23  VAL  91          HG23      VAL  91  22.515  -3.511   3.308
  670    H    THR  92           H        THR  92  18.258  -2.723   5.885
  671    HA   THR  92           HA       THR  92  18.305  -5.529   4.947
  672    HB   THR  92           HB       THR  92  17.672  -6.098   7.344
  673    HG1  THR  92           HG1      THR  92  17.058  -4.120   8.133
  674   HG21  THR  92          HG21      THR  92  19.913  -6.025   8.212
  675   HG22  THR  92          HG22      THR  92  20.020  -6.330   6.470
  676   HG23  THR  92          HG23      THR  92  20.367  -4.708   7.115
  677    H    GLN  93           H        GLN  93  16.720  -3.301   3.972
  678    HA   GLN  93           HA       GLN  93  13.950  -4.172   4.646
  679    HB2  GLN  93           HB2      GLN  93  14.819  -1.927   2.798
  680    HB3  GLN  93           HB3      GLN  93  13.186  -2.283   3.362
  681    HG2  GLN  93           HG2      GLN  93  15.502  -1.206   4.998
  682    HG3  GLN  93           HG3      GLN  93  14.001  -0.391   4.615
  683   HE21  GLN  93          HE22      GLN  93  15.550  -1.715   7.147
  684   HE22  GLN  93          HE21      GLN  93  14.200  -2.358   8.069
  685    H    GLU  94           H        GLU  94  12.603  -4.171   2.342
  686    HA   GLU  94           HA       GLU  94  13.281  -6.637   1.318
  687    HB2  GLU  94           HB2      GLU  94  11.035  -5.179   1.409
  688    HB3  GLU  94           HB3      GLU  94  11.515  -4.773  -0.255
  689    HG2  GLU  94           HG2      GLU  94  11.661  -7.205  -0.762
  690    HG3  GLU  94           HG3      GLU  94  11.271  -7.556   0.926
  691    H    ILE  95           H        ILE  95  14.105  -3.436   0.020
  692    HA   ILE  95           HA       ILE  95  15.841  -4.792  -2.006
  693    HB   ILE  95           HB       ILE  95  13.931  -2.528  -2.418
  694   HG12  ILE  95          HG12      ILE  95  14.267  -5.318  -3.576
  695   HG13  ILE  95          HG13      ILE  95  12.878  -4.649  -2.710
  696   HG21  ILE  95          HG21      ILE  95  16.144  -3.441  -4.321
  697   HG22  ILE  95          HG22      ILE  95  14.921  -2.198  -4.666
  698   HG23  ILE  95          HG23      ILE  95  16.126  -1.896  -3.439
  699   HD11  ILE  95          HD11      ILE  95  12.300  -4.834  -5.004
  700   HD12  ILE  95          HD12      ILE  95  12.513  -3.098  -4.657
  701   HD13  ILE  95          HD13      ILE  95  13.787  -4.019  -5.514
  702    H    PHE  96           H        PHE  96  17.899  -3.914  -1.995
  703    HA   PHE  96           HA       PHE  96  18.339  -1.264  -0.982
  704    HB2  PHE  96           HB2      PHE  96  18.873  -2.487   1.040
  705    HB3  PHE  96           HB3      PHE  96  19.901  -3.605   0.130
  706    HD1  PHE  96           HD1      PHE  96  19.523  -0.060   1.259
  707    HD2  PHE  96           HD2      PHE  96  22.112  -2.895  -0.722
  708    HE1  PHE  96           HE1      PHE  96  21.362   1.591   1.267
  709    HE2  PHE  96           HE2      PHE  96  23.894  -1.160  -0.854
  710    HZ   PHE  96           HZ       PHE  96  23.553   1.042   0.231
  711    H    GLU  97           H        GLU  97  19.707  -0.270  -2.350
  712    HA   GLU  97           HA       GLU  97  21.843  -1.756  -3.706
  713    HB2  GLU  97           HB2      GLU  97  19.716  -0.128  -5.168
  714    HB3  GLU  97           HB3      GLU  97  21.352  -0.317  -5.800
  715    HG2  GLU  97           HG2      GLU  97  21.113  -2.762  -5.728
  716    HG3  GLU  97           HG3      GLU  97  19.397  -2.572  -5.296
  717    H    ASP  98           H        ASP  98  23.506  -0.296  -4.335
  718    HA   ASP  98           HA       ASP  98  23.270   2.487  -3.390
  719    HB2  ASP  98           HB2      ASP  98  24.870   1.451  -1.921
  720    HB3  ASP  98           HB3      ASP  98  25.785   0.825  -3.305
  721    H    TRP  99           H        TRP  99  23.214   3.836  -5.066
  722    HA   TRP  99           HA       TRP  99  24.016   2.927  -7.763
  723    HB2  TRP  99           HB2      TRP  99  22.328   5.248  -6.807
  724    HB3  TRP  99           HB3      TRP  99  22.719   4.865  -8.467
  725    HD1  TRP  99           HD1      TRP  99  21.999   1.564  -7.088
  726    HE1  TRP  99           HE1      TRP  99  19.633   0.827  -7.676
  727    HE3  TRP  99           HE3      TRP  99  20.123   6.114  -8.447
  728    HZ2  TRP  99           HZ2      TRP  99  17.086   2.149  -8.435
  729    HZ3  TRP  99           HZ3      TRP  99  17.719   6.377  -8.958
  730    HH2  TRP  99           HH2      TRP  99  16.220   4.404  -8.918
  731    H    GLN 100           H        GLN 100  26.001   3.188  -8.284
  732    HA   GLN 100           HA       GLN 100  27.720   5.249  -7.259
  733    HB2  GLN 100           HB2      GLN 100  28.220   2.802  -8.164
  734    HB3  GLN 100           HB3      GLN 100  28.264   3.572  -9.739
  735    HG2  GLN 100           HG2      GLN 100  30.486   3.734  -9.153
  736    HG3  GLN 100           HG3      GLN 100  29.929   5.274  -8.497
  737   HE21  GLN 100          HE22      GLN 100  31.046   1.992  -7.717
  738   HE22  GLN 100          HE21      GLN 100  31.151   2.213  -5.991
  739    H    LEU 101           H        LEU 101  27.184   7.346  -7.838
  740    HA   LEU 101           HA       LEU 101  26.906   8.042 -10.722
  741    HB2  LEU 101           HB2      LEU 101  25.205   8.700  -8.296
  742    HB3  LEU 101           HB3      LEU 101  25.396   9.913  -9.559
  743    HG   LEU 101           HG       LEU 101  23.412   8.974  -9.975
  744   HD11  LEU 101          HD11      LEU 101  25.103   7.247 -11.823
  745   HD12  LEU 101          HD12      LEU 101  23.462   7.859 -12.089
  746   HD13  LEU 101          HD13      LEU 101  24.828   8.984 -12.066
  747   HD21  LEU 101          HD21      LEU 101  23.537   7.070  -8.466
  748   HD22  LEU 101          HD22      LEU 101  22.743   6.695 -10.002
  749   HD23  LEU 101          HD23      LEU 101  24.406   6.145  -9.718
  750    H    GLU 102           H        GLU 102  27.727  10.130 -11.227
  751    HA   GLU 102           HA       GLU 102  29.813  11.048  -9.473
  752    HB2  GLU 102           HB2      GLU 102  29.002  11.854 -12.294
  753    HB3  GLU 102           HB3      GLU 102  30.375  12.551 -11.420
  754    HG2  GLU 102           HG2      GLU 102  31.360  10.262 -11.195
  755    HG3  GLU 102           HG3      GLU 102  30.034   9.612 -12.160
  756    H    ASP 103           H        ASP 103  28.523  11.645  -7.788
  757    HA   ASP 103           HA       ASP 103  26.533  13.190  -7.172
  758    HB2  ASP 103           HB2      ASP 103  27.887  12.551  -5.468
  759    HB3  ASP 103           HB3      ASP 103  29.309  13.400  -6.085
  760    HA   PRO 104           HA       PRO 104  27.190  16.461 -10.139
  761    HB2  PRO 104           HB2      PRO 104  24.416  17.238  -9.318
  762    HB3  PRO 104           HB3      PRO 104  25.147  17.044 -10.956
  763    HG2  PRO 104           HG2      PRO 104  23.549  15.113  -9.841
  764    HG3  PRO 104           HG3      PRO 104  24.949  14.741 -10.901
  765    HD2  PRO 104           HD2      PRO 104  24.756  14.501  -7.904
  766    HD3  PRO 104           HD3      PRO 104  25.690  13.535  -9.098
  767    H    ASP 105           H        ASP 105  27.066  17.001  -6.802
  768    HA   ASP 105           HA       ASP 105  26.607  19.794  -6.609
  769    HB2  ASP 105           HB2      ASP 105  26.689  18.243  -4.703
  770    HB3  ASP 105           HB3      ASP 105  28.422  18.040  -4.934
  771    H    GLY 106           H        GLY 106  27.529  20.983  -8.159
  772    HA2  GLY 106           HA2      GLY 106  29.048  22.715  -8.502
  773    HA3  GLY 106           HA3      GLY 106  30.301  21.815  -7.639
  774    H    GLN 107           H        GLN 107  28.529  20.073 -10.146
  775    HA   GLN 107           HA       GLN 107  31.098  19.770 -11.537
  776    HB2  GLN 107           HB2      GLN 107  28.501  18.287 -12.009
  777    HB3  GLN 107           HB3      GLN 107  30.132  17.793 -12.480
  778    HG2  GLN 107           HG2      GLN 107  29.167  18.050  -9.616
  779    HG3  GLN 107           HG3      GLN 107  29.196  16.566 -10.574
  780   HE21  GLN 107          HE22      GLN 107  30.341  16.057  -8.470
  781   HE22  GLN 107          HE21      GLN 107  32.103  16.139  -8.522
  782    H    SER 108           H        SER 108  30.764  19.143 -13.962
  783    HA   SER 108           HA       SER 108  30.015  21.512 -15.450
  784    HB2  SER 108           HB2      SER 108  30.930  18.711 -16.238
  785    HB3  SER 108           HB3      SER 108  30.891  20.123 -17.322
  786    HG   SER 108           HG       SER 108  32.981  19.759 -16.446
  787    H    LEU 109           H        LEU 109  28.372  21.534 -17.139
  788    HA   LEU 109           HA       LEU 109  25.913  20.330 -16.535
  789    HB2  LEU 109           HB2      LEU 109  26.939  21.265 -19.241
  790    HB3  LEU 109           HB3      LEU 109  25.259  20.850 -18.897
  791    HG   LEU 109           HG       LEU 109  26.799  23.095 -17.533
  792   HD11  LEU 109          HD11      LEU 109  24.619  23.196 -19.668
  793   HD12  LEU 109          HD12      LEU 109  25.372  24.598 -18.873
  794   HD13  LEU 109          HD13      LEU 109  26.343  23.551 -19.919
  795   HD21  LEU 109          HD21      LEU 109  23.856  22.296 -17.345
  796   HD22  LEU 109          HD22      LEU 109  25.053  22.267 -16.031
  797   HD23  LEU 109          HD23      LEU 109  24.541  23.808 -16.712
  798    H    GLU 110           H        GLU 110  28.526  19.092 -18.590
  799    HA   GLU 110           HA       GLU 110  27.091  16.946 -19.732
  800    HB2  GLU 110           HB2      GLU 110  29.255  17.851 -20.498
  801    HB3  GLU 110           HB3      GLU 110  30.057  17.175 -19.073
  802    HG2  GLU 110           HG2      GLU 110  29.438  14.883 -19.796
  803    HG3  GLU 110           HG3      GLU 110  28.556  15.543 -21.176
  804    H    VAL 111           H        VAL 111  28.799  17.193 -16.572
  805    HA   VAL 111           HA       VAL 111  28.504  14.387 -15.868
  806    HB   VAL 111           HB       VAL 111  28.933  16.865 -14.192
  807   HG11  VAL 111          HG11      VAL 111  29.736  15.207 -12.438
  808   HG12  VAL 111          HG12      VAL 111  27.992  15.221 -12.712
  809   HG13  VAL 111          HG13      VAL 111  28.994  13.931 -13.419
  810   HG21  VAL 111          HG21      VAL 111  31.283  16.082 -14.047
  811   HG22  VAL 111          HG22      VAL 111  30.895  14.718 -15.116
  812   HG23  VAL 111          HG23      VAL 111  30.831  16.382 -15.727
  813    H    PHE 112           H        PHE 112  26.734  17.442 -15.159
  814    HA   PHE 112           HA       PHE 112  24.657  16.378 -13.608
  815    HB2  PHE 112           HB2      PHE 112  25.005  18.771 -15.391
  816    HB3  PHE 112           HB3      PHE 112  23.394  18.344 -14.931
  817    HD1  PHE 112           HD2      PHE 112  22.739  18.183 -12.476
  818    HD2  PHE 112           HD1      PHE 112  26.450  19.916 -13.842
  819    HE1  PHE 112           HE2      PHE 112  22.996  19.358 -10.309
  820    HE2  PHE 112           HE1      PHE 112  26.715  21.044 -11.653
  821    HZ   PHE 112           HZ       PHE 112  25.043  20.703  -9.883
  822    H    ARG 113           H        ARG 113  24.635  16.862 -17.201
  823    HA   ARG 113           HA       ARG 113  22.137  15.581 -17.614
  824    HB2  ARG 113           HB2      ARG 113  24.538  16.249 -19.336
  825    HB3  ARG 113           HB3      ARG 113  23.312  15.173 -20.003
  826    HG2  ARG 113           HG2      ARG 113  21.705  16.764 -20.148
  827    HG3  ARG 113           HG3      ARG 113  22.218  17.604 -18.690
  828    HD2  ARG 113           HD2      ARG 113  24.019  18.696 -19.835
  829    HD3  ARG 113           HD3      ARG 113  23.671  17.791 -21.335
  830    HE   ARG 113           HE       ARG 113  21.283  19.069 -20.550
  831   HH11  ARG 113          HH11      ARG 113  24.540  20.078 -21.608
  832   HH12  ARG 113          HH12      ARG 113  24.000  21.551 -22.321
  833   HH21  ARG 113          HH21      ARG 113  20.567  20.925 -21.577
  834   HH22  ARG 113          HH22      ARG 113  21.671  22.077 -22.288
  835    H    THR 114           H        THR 114  25.464  14.096 -17.580
  836    HA   THR 114           HA       THR 114  24.586  11.569 -18.465
  837    HB   THR 114           HB       THR 114  26.918  12.446 -16.693
  838    HG1  THR 114           HG1      THR 114  27.113  13.424 -18.600
  839   HG21  THR 114          HG21      THR 114  26.475   9.887 -18.263
  840   HG22  THR 114          HG22      THR 114  28.022  10.393 -17.526
  841   HG23  THR 114          HG23      THR 114  26.622  10.057 -16.493
  842    H    VAL 115           H        VAL 115  25.049  12.890 -15.109
  843    HA   VAL 115           HA       VAL 115  24.149  10.506 -13.855
  844    HB   VAL 115           HB       VAL 115  24.449  13.341 -12.928
  845   HG11  VAL 115          HG11      VAL 115  23.729  10.890 -11.289
  846   HG12  VAL 115          HG12      VAL 115  24.414  12.355 -10.575
  847   HG13  VAL 115          HG13      VAL 115  22.845  12.420 -11.385
  848   HG21  VAL 115          HG21      VAL 115  26.557  12.195 -13.536
  849   HG22  VAL 115          HG22      VAL 115  26.455  12.458 -11.802
  850   HG23  VAL 115          HG23      VAL 115  26.138  10.844 -12.468
  851    H    ARG 116           H        ARG 116  22.391  13.562 -14.736
  852    HA   ARG 116           HA       ARG 116  19.965  12.847 -13.506
  853    HB2  ARG 116           HB2      ARG 116  20.554  15.067 -14.341
  854    HB3  ARG 116           HB3      ARG 116  20.525  14.528 -16.005
  855    HG2  ARG 116           HG2      ARG 116  18.124  14.290 -14.173
  856    HG3  ARG 116           HG3      ARG 116  18.501  15.815 -14.883
  857    HD2  ARG 116           HD2      ARG 116  17.186  13.508 -16.121
  858    HD3  ARG 116           HD3      ARG 116  16.994  15.252 -16.412
  859    HE   ARG 116           HE       ARG 116  18.690  13.345 -17.832
  860   HH11  ARG 116          HH11      ARG 116  17.895  16.792 -17.427
  861   HH12  ARG 116          HH12      ARG 116  19.025  17.310 -18.650
  862   HH21  ARG 116          HH21      ARG 116  20.004  14.067 -19.590
  863   HH22  ARG 116          HH22      ARG 116  20.003  15.742 -20.014
  864    H    GLY 117           H        GLY 117  21.157  12.065 -16.803
  865    HA2  GLY 117           HA2      GLY 117  18.838  10.624 -17.620
  866    HA3  GLY 117           HA3      GLY 117  20.486  10.435 -18.275
  867    H    GLN 118           H        GLN 118  21.924   9.462 -16.024
  868    HA   GLN 118           HA       GLN 118  21.155   6.731 -16.047
  869    HB2  GLN 118           HB2      GLN 118  23.049   8.325 -14.285
  870    HB3  GLN 118           HB3      GLN 118  22.727   6.606 -14.039
  871    HG2  GLN 118           HG2      GLN 118  23.435   6.281 -16.506
  872    HG3  GLN 118           HG3      GLN 118  24.066   7.931 -16.402
  873   HE21  GLN 118          HE22      GLN 118  26.321   7.612 -16.321
  874   HE22  GLN 118          HE21      GLN 118  27.113   6.579 -15.158
  875    H    VAL 119           H        VAL 119  20.892   9.166 -13.429
  876    HA   VAL 119           HA       VAL 119  19.556   7.621 -11.538
  877    HB   VAL 119           HB       VAL 119  19.381  10.608 -12.145
  878   HG11  VAL 119          HG11      VAL 119  18.534  10.854  -9.817
  879   HG12  VAL 119          HG12      VAL 119  17.377  10.052 -10.887
  880   HG13  VAL 119          HG13      VAL 119  18.320   9.087  -9.735
  881   HG21  VAL 119          HG21      VAL 119  20.917  10.798 -10.237
  882   HG22  VAL 119          HG22      VAL 119  20.811   9.053  -9.920
  883   HG23  VAL 119          HG23      VAL 119  21.613   9.644 -11.380
  884    H    LYS 120           H        LYS 120  17.995   9.553 -14.251
  885    HA   LYS 120           HA       LYS 120  15.378   8.785 -13.448
  886    HB2  LYS 120           HB2      LYS 120  15.851  10.598 -15.086
  887    HB3  LYS 120           HB3      LYS 120  16.470   9.402 -16.237
  888    HG2  LYS 120           HG2      LYS 120  14.187   8.308 -16.248
  889    HG3  LYS 120           HG3      LYS 120  13.624   9.598 -15.172
  890    HD2  LYS 120           HD2      LYS 120  12.933  10.275 -17.338
  891    HD3  LYS 120           HD3      LYS 120  14.344  11.261 -16.966
  892    HE2  LYS 120           HE2      LYS 120  14.680  10.573 -19.200
  893    HE3  LYS 120           HE3      LYS 120  15.748   9.532 -18.257
  894    HZ1  LYS 120           HZ1      LYS 120  13.100   8.785 -19.362
  895    HZ2  LYS 120           HZ2      LYS 120  14.544   8.251 -19.883
  896    HZ3  LYS 120           HZ3      LYS 120  13.983   7.779 -18.420
  897    H    GLU 121           H        GLU 121  17.676   7.205 -15.669
  898    HA   GLU 121           HA       GLU 121  15.974   5.118 -16.520
  899    HB2  GLU 121           HB2      GLU 121  17.831   5.111 -17.836
  900    HB3  GLU 121           HB3      GLU 121  18.810   5.891 -16.590
  901    HG2  GLU 121           HG2      GLU 121  19.460   3.946 -15.569
  902    HG3  GLU 121           HG3      GLU 121  18.307   2.932 -16.475
  903    H    ARG 122           H        ARG 122  18.131   5.438 -13.700
  904    HA   ARG 122           HA       ARG 122  17.801   2.699 -12.843
  905    HB2  ARG 122           HB2      ARG 122  18.812   5.185 -11.429
  906    HB3  ARG 122           HB3      ARG 122  18.845   3.555 -10.740
  907    HG2  ARG 122           HG2      ARG 122  20.439   2.742 -12.248
  908    HG3  ARG 122           HG3      ARG 122  20.252   4.105 -13.353
  909    HD2  ARG 122           HD2      ARG 122  21.101   5.648 -11.602
  910    HD3  ARG 122           HD3      ARG 122  21.362   4.282 -10.517
  911    HE   ARG 122           HE       ARG 122  22.927   5.052 -12.898
  912   HH11  ARG 122          HH21      ARG 122  22.428   2.519 -10.456
  913   HH12  ARG 122          HH22      ARG 122  24.002   1.843 -10.656
  914   HH21  ARG 122          HH11      ARG 122  25.004   4.256 -13.089
  915   HH22  ARG 122          HH12      ARG 122  25.530   2.880 -12.173
  916    H    VAL 123           H        VAL 123  16.217   5.803 -11.653
  917    HA   VAL 123           HA       VAL 123  14.381   4.668  -9.946
  918    HB   VAL 123           HB       VAL 123  14.116   7.003 -11.876
  919   HG11  VAL 123          HG11      VAL 123  12.310   7.791 -10.417
  920   HG12  VAL 123          HG12      VAL 123  11.864   6.293 -11.219
  921   HG13  VAL 123          HG13      VAL 123  12.342   6.257  -9.510
  922   HG21  VAL 123          HG21      VAL 123  15.903   7.237 -10.118
  923   HG22  VAL 123          HG22      VAL 123  14.578   8.375  -9.903
  924   HG23  VAL 123          HG23      VAL 123  14.687   6.933  -8.884
  925    H    GLU 124           H        GLU 124  14.057   4.998 -13.586
  926    HA   GLU 124           HA       GLU 124  11.544   3.721 -13.715
  927    HB2  GLU 124           HB2      GLU 124  13.819   3.806 -15.753
  928    HB3  GLU 124           HB3      GLU 124  12.245   3.101 -16.090
  929    HG2  GLU 124           HG2      GLU 124  11.146   5.257 -15.723
  930    HG3  GLU 124           HG3      GLU 124  12.695   6.001 -15.320
  931    H    ASN 125           H        ASN 125  14.809   2.367 -13.684
  932    HA   ASN 125           HA       ASN 125  14.129  -0.327 -14.215
  933    HB2  ASN 125           HB2      ASN 125  16.470   0.943 -14.056
  934    HB3  ASN 125           HB3      ASN 125  16.443   0.372 -12.394
  935   HD21  ASN 125          HD22      ASN 125  16.987  -0.427 -15.698
  936   HD22  ASN 125          HD21      ASN 125  17.291  -2.135 -15.485
  937    H    LEU 126           H        LEU 126  14.518   1.449 -11.165
  938    HA   LEU 126           HA       LEU 126  13.921  -0.710  -9.440
  939    HB2  LEU 126           HB2      LEU 126  14.501   0.634  -7.811
  940    HB3  LEU 126           HB3      LEU 126  14.867   1.814  -9.051
  941    HG   LEU 126           HG       LEU 126  12.446   2.590  -8.801
  942   HD11  LEU 126          HD11      LEU 126  11.787   0.550  -7.294
  943   HD12  LEU 126          HD12      LEU 126  12.731   1.313  -6.036
  944   HD13  LEU 126          HD13      LEU 126  11.311   2.149  -6.696
  945   HD21  LEU 126          HD21      LEU 126  14.265   3.019  -6.416
  946   HD22  LEU 126          HD22      LEU 126  14.360   3.892  -7.950
  947   HD23  LEU 126          HD23      LEU 126  12.922   4.053  -6.945
  948    H    ILE 127           H        ILE 127  11.769   1.803 -10.745
  949    HA   ILE 127           HA       ILE 127   9.342   0.857  -9.620
  950    HB   ILE 127           HB       ILE 127  10.079   2.403 -12.130
  951   HG12  ILE 127          HG12      ILE 127   8.653   3.392  -9.612
  952   HG13  ILE 127          HG13      ILE 127  10.406   3.418  -9.768
  953   HG21  ILE 127          HG21      ILE 127   8.020   1.438 -12.721
  954   HG22  ILE 127          HG22      ILE 127   7.310   1.691 -11.110
  955   HG23  ILE 127          HG23      ILE 127   7.609   3.062 -12.217
  956   HD11  ILE 127          HD11      ILE 127   9.571   5.601 -10.346
  957   HD12  ILE 127          HD12      ILE 127  10.203   4.834 -11.819
  958   HD13  ILE 127          HD13      ILE 127   8.461   4.941 -11.552
  959    H    ALA 128           H        ALA 128  11.083  -0.216 -12.590
  960    HA   ALA 128           HA       ALA 128   8.901  -1.601 -13.716
  961    HB1  ALA 128           HB1      ALA 128  10.991  -1.098 -14.942
  962    HB2  ALA 128           HB2      ALA 128  11.864  -2.295 -13.953
  963    HB3  ALA 128           HB3      ALA 128  10.571  -2.817 -15.048
  964    H    LYS 129           H        LYS 129  11.149  -2.570 -11.216
  965    HA   LYS 129           HA       LYS 129  10.601  -5.346 -11.082
  966    HB2  LYS 129           HB2      LYS 129  11.623  -3.368  -9.051
  967    HB3  LYS 129           HB3      LYS 129  11.704  -5.124  -8.846
  968    HG2  LYS 129           HG2      LYS 129  13.179  -5.355 -10.768
  969    HG3  LYS 129           HG3      LYS 129  12.971  -3.658 -11.200
  970    HD2  LYS 129           HD2      LYS 129  13.878  -3.186  -8.779
  971    HD3  LYS 129           HD3      LYS 129  14.523  -4.830  -8.902
  972    HE2  LYS 129           HE2      LYS 129  15.026  -2.468 -10.780
  973    HE3  LYS 129           HE3      LYS 129  16.177  -3.089  -9.597
  974    HZ1  LYS 129           HZ1      LYS 129  15.185  -4.679 -11.891
  975    HZ2  LYS 129           HZ2      LYS 129  16.526  -3.770 -11.939
  976    HZ3  LYS 129           HZ3      LYS 129  16.444  -5.051 -10.904
  977    H    ILE 130           H        ILE 130   8.798  -2.580  -9.835
  978    HA   ILE 130           HA       ILE 130   7.218  -4.262  -8.054
  979    HB   ILE 130           HB       ILE 130   6.975  -1.997  -6.884
  980   HG12  ILE 130          HG12      ILE 130   9.208  -1.207  -8.690
  981   HG13  ILE 130          HG13      ILE 130   7.641  -0.428  -8.465
  982   HG21  ILE 130          HG21      ILE 130   9.041  -2.453  -5.605
  983   HG22  ILE 130          HG22      ILE 130   8.449  -4.004  -6.207
  984   HG23  ILE 130          HG23      ILE 130   9.787  -3.187  -7.045
  985   HD11  ILE 130          HD11      ILE 130   9.980  -0.564  -6.524
  986   HD12  ILE 130          HD12      ILE 130   9.364   0.856  -7.369
  987   HD13  ILE 130          HD13      ILE 130   8.379   0.070  -6.092
  988    H    SER 131           H        SER 131   6.997  -2.016 -10.620
  989    HA   SER 131           HA       SER 131   4.500  -0.965 -10.652
  990    HB2  SER 131           HB2      SER 131   5.906  -2.376 -12.950
  991    HB3  SER 131           HB3      SER 131   4.486  -1.330 -13.129
  992    HG   SER 131           HG       SER 131   7.010  -0.594 -12.019
  Start of MODEL   14
    1    H    MET   1           H        MET   1   0.436  -0.442  -3.005
    2    HA   MET   1           HA       MET   1   2.503   0.492  -3.791
    3    HB2  MET   1           HB2      MET   1   0.956   2.017  -2.749
    4    HB3  MET   1           HB3      MET   1   1.495   1.579  -1.125
    5    HG2  MET   1           HG2      MET   1   3.580   2.673  -1.385
    6    HG3  MET   1           HG3      MET   1   3.407   2.810  -3.127
    7    HE1  MET   1           HE1      MET   1   1.073   5.781  -3.737
    8    HE2  MET   1           HE2      MET   1   2.276   4.671  -4.422
    9    HE3  MET   1           HE3      MET   1   0.700   4.052  -3.878
   10    H    LYS   2           H        LYS   2   4.691   0.947  -3.495
   11    HA   LYS   2           HA       LYS   2   6.092  -0.426  -1.209
   12    HB2  LYS   2           HB2      LYS   2   6.898  -0.108  -4.145
   13    HB3  LYS   2           HB3      LYS   2   7.971  -0.687  -2.881
   14    HG2  LYS   2           HG2      LYS   2   5.411  -2.060  -3.854
   15    HG3  LYS   2           HG3      LYS   2   7.075  -2.528  -4.201
   16    HD2  LYS   2           HD2      LYS   2   7.337  -2.607  -1.621
   17    HD3  LYS   2           HD3      LYS   2   5.577  -2.746  -1.588
   18    HE2  LYS   2           HE2      LYS   2   5.681  -4.803  -2.908
   19    HE3  LYS   2           HE3      LYS   2   7.409  -4.562  -3.213
   20    HZ1  LYS   2           HZ1      LYS   2   6.214  -5.145  -0.573
   21    HZ2  LYS   2           HZ2      LYS   2   7.130  -6.157  -1.466
   22    HZ3  LYS   2           HZ3      LYS   2   7.802  -4.801  -0.820
   23    H    LYS   3           H        LYS   3   7.427   0.911  -0.029
   24    HA   LYS   3           HA       LYS   3   7.516   3.748  -0.926
   25    HB2  LYS   3           HB2      LYS   3   7.696   2.353   1.736
   26    HB3  LYS   3           HB3      LYS   3   8.676   3.796   1.535
   27    HG2  LYS   3           HG2      LYS   3   6.842   5.142   0.777
   28    HG3  LYS   3           HG3      LYS   3   5.723   3.761   0.790
   29    HD2  LYS   3           HD2      LYS   3   5.857   3.607   3.209
   30    HD3  LYS   3           HD3      LYS   3   7.190   4.790   3.251
   31    HE2  LYS   3           HE2      LYS   3   5.711   6.535   2.386
   32    HE3  LYS   3           HE3      LYS   3   4.357   5.392   2.307
   33    HZ1  LYS   3           HZ1      LYS   3   4.407   6.801   4.349
   34    HZ2  LYS   3           HZ2      LYS   3   4.418   5.198   4.684
   35    HZ3  LYS   3           HZ3      LYS   3   5.804   6.045   4.810
   36    H    VAL   4           H        VAL   4   9.368   4.740  -1.591
   37    HA   VAL   4           HA       VAL   4  11.829   3.073  -1.513
   38    HB   VAL   4           HB       VAL   4  10.749   3.196  -3.657
   39   HG11  VAL   4          HG11      VAL   4  11.141   6.181  -3.619
   40   HG12  VAL   4          HG12      VAL   4  10.718   5.224  -5.042
   41   HG13  VAL   4          HG13      VAL   4   9.589   5.306  -3.680
   42   HG21  VAL   4          HG21      VAL   4  13.299   4.894  -3.721
   43   HG22  VAL   4          HG22      VAL   4  13.304   3.148  -3.471
   44   HG23  VAL   4          HG23      VAL   4  12.695   3.818  -4.989
   45    H    MET   5           H        MET   5  13.648   3.963  -0.970
   46    HA   MET   5           HA       MET   5  13.673   6.825  -0.106
   47    HB2  MET   5           HB2      MET   5  13.628   5.453   1.825
   48    HB3  MET   5           HB3      MET   5  14.754   4.285   1.131
   49    HG2  MET   5           HG2      MET   5  15.861   5.633   2.805
   50    HG3  MET   5           HG3      MET   5  16.546   5.836   1.217
   51    HE1  MET   5           HE1      MET   5  13.992   9.089   3.356
   52    HE2  MET   5           HE2      MET   5  13.225   7.701   2.561
   53    HE3  MET   5           HE3      MET   5  14.271   7.449   3.983
   54    H    PHE   6           H        PHE   6  15.437   8.062  -0.736
   55    HA   PHE   6           HA       PHE   6  17.623   6.683  -2.219
   56    HB2  PHE   6           HB2      PHE   6  16.575   9.421  -2.817
   57    HB3  PHE   6           HB3      PHE   6  17.990   8.626  -3.540
   58    HD1  PHE   6           HD2      PHE   6  14.275   8.561  -3.283
   59    HD2  PHE   6           HD1      PHE   6  17.748   6.916  -5.252
   60    HE1  PHE   6           HE2      PHE   6  12.838   7.374  -4.966
   61    HE2  PHE   6           HE1      PHE   6  16.261   5.855  -6.977
   62    HZ   PHE   6           HZ       PHE   6  13.821   6.142  -6.816
   63    H    VAL   7           H        VAL   7  19.648   6.992  -1.080
   64    HA   VAL   7           HA       VAL   7  19.738   9.106   1.048
   65    HB   VAL   7           HB       VAL   7  20.998   6.324   1.184
   66   HG11  VAL   7          HG11      VAL   7  20.422   8.378   3.354
   67   HG12  VAL   7          HG12      VAL   7  21.148   6.772   3.594
   68   HG13  VAL   7          HG13      VAL   7  22.019   7.993   2.674
   69   HG21  VAL   7          HG21      VAL   7  18.685   5.836   1.106
   70   HG22  VAL   7          HG22      VAL   7  19.223   5.660   2.775
   71   HG23  VAL   7          HG23      VAL   7  18.313   7.110   2.307
   72    H    CYS   8           H        CYS   8  21.636  10.408   0.907
   73    HA   CYS   8           HA       CYS   8  23.984   9.223  -0.489
   74    HB2  CYS   8           HB2      CYS   8  22.583  10.647  -2.061
   75    HB3  CYS   8           HB3      CYS   8  22.807  12.006  -0.978
   76    HG   CYS   8           HG       CYS   8  24.875  10.311  -2.899
   77    H    LYS   9           H        LYS   9  25.943  10.329  -0.194
   78    HA   LYS   9           HA       LYS   9  26.575  11.256   2.445
   79    HB2  LYS   9           HB2      LYS   9  27.929  10.932  -0.238
   80    HB3  LYS   9           HB3      LYS   9  28.636  12.132   0.865
   81    HG2  LYS   9           HG2      LYS   9  28.813  10.453   2.641
   82    HG3  LYS   9           HG3      LYS   9  28.068   9.226   1.594
   83    HD2  LYS   9           HD2      LYS   9  29.956   9.389   0.025
   84    HD3  LYS   9           HD3      LYS   9  30.662  10.710   0.986
   85    HE2  LYS   9           HE2      LYS   9  30.716   9.105   2.967
   86    HE3  LYS   9           HE3      LYS   9  30.273   7.808   1.852
   87    HZ1  LYS   9           HZ1      LYS   9  32.343   8.328   0.612
   88    HZ2  LYS   9           HZ2      LYS   9  32.723   9.485   1.699
   89    HZ3  LYS   9           HZ3      LYS   9  32.671   7.930   2.164
   90    H    ARG  10           H        ARG  10  25.172  12.856  -0.337
   91    HA   ARG  10           HA       ARG  10  24.731  15.220   1.271
   92    HB2  ARG  10           HB2      ARG  10  25.312  16.746  -0.633
   93    HB3  ARG  10           HB3      ARG  10  26.653  16.109   0.302
   94    HG2  ARG  10           HG2      ARG  10  27.378  14.669  -1.469
   95    HG3  ARG  10           HG3      ARG  10  25.875  14.858  -2.364
   96    HD2  ARG  10           HD2      ARG  10  27.580  16.211  -3.420
   97    HD3  ARG  10           HD3      ARG  10  26.341  17.240  -2.727
   98    HE   ARG  10           HE       ARG  10  27.785  17.908  -0.983
   99   HH11  ARG  10          HH21      ARG  10  29.546  16.017  -3.490
  100   HH12  ARG  10          HH22      ARG  10  31.087  16.557  -2.933
  101   HH21  ARG  10          HH11      ARG  10  29.851  18.571  -0.300
  102   HH22  ARG  10          HH12      ARG  10  31.264  18.036  -1.120
  103    H    ASN  11           H        ASN  11  22.664  14.756   1.313
  104    HA   ASN  11           HA       ASN  11  20.876  13.577  -0.432
  105    HB2  ASN  11           HB2      ASN  11  20.184  14.349   1.784
  106    HB3  ASN  11           HB3      ASN  11  20.435  16.029   1.329
  107   HD21  ASN  11          HD22      ASN  11  18.533  13.161   0.158
  108   HD22  ASN  11          HD21      ASN  11  17.124  14.107  -0.311
  109    H    SER  12           H        SER  12  22.027  16.920  -0.562
  110    HA   SER  12           HA       SER  12  20.191  18.295  -1.923
  111    HB2  SER  12           HB2      SER  12  22.288  19.691  -2.594
  112    HB3  SER  12           HB3      SER  12  21.890  19.434  -0.888
  113    HG   SER  12           HG       SER  12  24.140  19.077  -1.494
  114    H    CYS  13           H        CYS  13  22.187  15.930  -3.585
  115    HA   CYS  13           HA       CYS  13  21.356  17.122  -6.205
  116    HB2  CYS  13           HB2      CYS  13  23.650  16.245  -6.992
  117    HB3  CYS  13           HB3      CYS  13  23.630  17.721  -6.016
  118    HG   CYS  13           HG       CYS  13  25.676  15.860  -5.487
  119    H    ARG  14           H        ARG  14  23.074  14.137  -5.201
  120    HA   ARG  14           HA       ARG  14  22.057  12.683  -7.372
  121    HB2  ARG  14           HB2      ARG  14  23.243  11.661  -4.767
  122    HB3  ARG  14           HB3      ARG  14  22.918  10.638  -6.181
  123    HG2  ARG  14           HG2      ARG  14  24.450  11.838  -7.558
  124    HG3  ARG  14           HG3      ARG  14  24.646  13.154  -6.405
  125    HD2  ARG  14           HD2      ARG  14  25.370  10.455  -5.390
  126    HD3  ARG  14           HD3      ARG  14  26.379  11.065  -6.695
  127    HE   ARG  14           HE       ARG  14  26.369  13.230  -5.078
  128   HH11  ARG  14          HH11      ARG  14  26.880   9.833  -4.235
  129   HH12  ARG  14          HH12      ARG  14  28.310  10.119  -3.290
  130   HH21  ARG  14          HH21      ARG  14  28.224  13.621  -3.692
  131   HH22  ARG  14          HH22      ARG  14  28.878  12.323  -2.763
  132    H    SER  15           H        SER  15  21.014  12.482  -3.871
  133    HA   SER  15           HA       SER  15  18.873  10.701  -4.370
  134    HB2  SER  15           HB2      SER  15  18.718  12.675  -2.124
  135    HB3  SER  15           HB3      SER  15  18.395  10.928  -2.152
  136    HG   SER  15           HG       SER  15  20.218  11.301  -0.985
  137    H    GLN  16           H        GLN  16  18.987  14.287  -4.115
  138    HA   GLN  16           HA       GLN  16  16.231  14.769  -4.077
  139    HB2  GLN  16           HB2      GLN  16  18.686  16.343  -4.901
  140    HB3  GLN  16           HB3      GLN  16  17.110  17.047  -5.173
  141    HG2  GLN  16           HG2      GLN  16  17.992  15.975  -2.472
  142    HG3  GLN  16           HG3      GLN  16  18.198  17.654  -2.961
  143   HE21  GLN  16          HE22      GLN  16  16.748  16.769  -0.671
  144   HE22  GLN  16          HE21      GLN  16  15.085  17.304  -0.909
  145    H    MET  17           H        MET  17  18.392  14.551  -6.969
  146    HA   MET  17           HA       MET  17  16.264  15.034  -8.863
  147    HB2  MET  17           HB2      MET  17  18.991  13.694  -9.047
  148    HB3  MET  17           HB3      MET  17  17.866  13.749 -10.403
  149    HG2  MET  17           HG2      MET  17  17.719  16.286  -9.977
  150    HG3  MET  17           HG3      MET  17  19.202  16.091  -9.039
  151    HE1  MET  17           HE1      MET  17  21.547  15.768 -10.104
  152    HE2  MET  17           HE2      MET  17  21.009  14.129 -10.551
  153    HE3  MET  17           HE3      MET  17  21.817  15.161 -11.754
  154    H    ALA  18           H        ALA  18  17.666  11.993  -7.507
  155    HA   ALA  18           HA       ALA  18  16.116  10.252  -9.082
  156    HB1  ALA  18           HB1      ALA  18  18.086   9.650  -7.592
  157    HB2  ALA  18           HB2      ALA  18  16.980   9.759  -6.207
  158    HB3  ALA  18           HB3      ALA  18  16.687   8.569  -7.498
  159    H    GLU  19           H        GLU  19  15.322  11.893  -6.021
  160    HA   GLU  19           HA       GLU  19  12.855  10.534  -5.603
  161    HB2  GLU  19           HB2      GLU  19  13.691  11.609  -3.723
  162    HB3  GLU  19           HB3      GLU  19  14.006  13.135  -4.571
  163    HG2  GLU  19           HG2      GLU  19  11.680  13.682  -4.672
  164    HG3  GLU  19           HG3      GLU  19  11.192  12.074  -4.162
  165    H    GLY  20           H        GLY  20  13.606  13.555  -7.361
  166    HA2  GLY  20           HA2      GLY  20  10.871  14.287  -7.777
  167    HA3  GLY  20           HA3      GLY  20  12.269  14.870  -8.710
  168    H    PHE  21           H        PHE  21  13.186  12.338  -9.777
  169    HA   PHE  21           HA       PHE  21  11.262  11.939 -11.900
  170    HB2  PHE  21           HB2      PHE  21  13.648  10.212 -11.136
  171    HB3  PHE  21           HB3      PHE  21  12.706  10.070 -12.617
  172    HD1  PHE  21           HD2      PHE  21  12.413  12.527 -13.911
  173    HD2  PHE  21           HD1      PHE  21  15.705  11.262 -11.430
  174    HE1  PHE  21           HE2      PHE  21  13.772  14.447 -14.710
  175    HE2  PHE  21           HE1      PHE  21  17.079  13.128 -12.318
  176    HZ   PHE  21           HZ       PHE  21  16.046  14.774 -13.880
  177    H    ALA  22           H        ALA  22  12.131  10.007  -8.970
  178    HA   ALA  22           HA       ALA  22  10.542   7.792  -9.542
  179    HB1  ALA  22           HB1      ALA  22  11.252   9.016  -6.871
  180    HB2  ALA  22           HB2      ALA  22  10.652   7.356  -7.091
  181    HB3  ALA  22           HB3      ALA  22  12.227   7.834  -7.760
  182    H    LYS  23           H        LYS  23   9.454  10.784  -7.787
  183    HA   LYS  23           HA       LYS  23   6.843   9.621  -7.504
  184    HB2  LYS  23           HB2      LYS  23   5.997  11.850  -6.959
  185    HB3  LYS  23           HB3      LYS  23   7.347  11.331  -5.990
  186    HG2  LYS  23           HG2      LYS  23   8.821  12.787  -7.588
  187    HG3  LYS  23           HG3      LYS  23   7.288  13.437  -8.182
  188    HD2  LYS  23           HD2      LYS  23   8.080  14.916  -6.450
  189    HD3  LYS  23           HD3      LYS  23   6.705  13.999  -5.761
  190    HE2  LYS  23           HE2      LYS  23   8.156  12.507  -4.606
  191    HE3  LYS  23           HE3      LYS  23   9.595  13.159  -5.426
  192    HZ1  LYS  23           HZ1      LYS  23   9.299  15.224  -4.246
  193    HZ2  LYS  23           HZ2      LYS  23   7.910  14.700  -3.519
  194    HZ3  LYS  23           HZ3      LYS  23   9.366  14.022  -3.154
  195    H    THR  24           H        THR  24   8.395  11.453 -10.177
  196    HA   THR  24           HA       THR  24   5.803  12.051 -11.278
  197    HB   THR  24           HB       THR  24   8.616  11.923 -12.569
  198    HG1  THR  24           HG1      THR  24   8.718  13.443 -10.992
  199   HG21  THR  24          HG21      THR  24   6.063  13.293 -13.474
  200   HG22  THR  24          HG22      THR  24   7.670  13.553 -14.206
  201   HG23  THR  24          HG23      THR  24   6.918  11.947 -14.270
  202    H    LEU  25           H        LEU  25   8.282   9.589 -11.762
  203    HA   LEU  25           HA       LEU  25   7.032   8.282 -13.963
  204    HB2  LEU  25           HB2      LEU  25   9.197   7.435 -11.998
  205    HB3  LEU  25           HB3      LEU  25   8.798   6.545 -13.466
  206    HG   LEU  25           HG       LEU  25   9.816   9.438 -13.449
  207   HD11  LEU  25          HD11      LEU  25  11.228   6.764 -13.723
  208   HD12  LEU  25          HD12      LEU  25  11.951   8.318 -14.216
  209   HD13  LEU  25          HD13      LEU  25  11.482   8.045 -12.529
  210   HD21  LEU  25          HD21      LEU  25   9.493   7.388 -15.694
  211   HD22  LEU  25          HD22      LEU  25   8.541   8.876 -15.484
  212   HD23  LEU  25          HD23      LEU  25  10.266   8.983 -15.848
  213    H    GLY  26           H        GLY  26   7.200   7.655 -10.478
  214    HA2  GLY  26           HA2      GLY  26   5.331   5.357 -10.825
  215    HA3  GLY  26           HA3      GLY  26   6.695   5.416  -9.718
  216    H    ALA  27           H        ALA  27   5.188   8.453  -9.268
  217    HA   ALA  27           HA       ALA  27   3.850   7.667  -6.901
  218    HB1  ALA  27           HB1      ALA  27   2.725   9.896  -7.016
  219    HB2  ALA  27           HB2      ALA  27   4.475  10.016  -7.238
  220    HB3  ALA  27           HB3      ALA  27   3.396  10.148  -8.645
  221    H    GLY  28           H        GLY  28   2.316   6.212  -6.826
  222    HA2  GLY  28           HA2      GLY  28  -0.203   5.968  -7.586
  223    HA3  GLY  28           HA3      GLY  28   0.569   5.707  -9.161
  224    H    LYS  29           H        LYS  29   2.970   4.375  -8.012
  225    HA   LYS  29           HA       LYS  29   1.807   1.925  -6.752
  226    HB2  LYS  29           HB2      LYS  29   3.320   0.508  -7.886
  227    HB3  LYS  29           HB3      LYS  29   2.416   1.414  -9.097
  228    HG2  LYS  29           HG2      LYS  29   5.126   2.462  -8.260
  229    HG3  LYS  29           HG3      LYS  29   5.100   0.991  -9.196
  230    HD2  LYS  29           HD2      LYS  29   3.697   3.543 -10.047
  231    HD3  LYS  29           HD3      LYS  29   5.394   3.180 -10.414
  232    HE2  LYS  29           HE2      LYS  29   4.777   1.074 -11.522
  233    HE3  LYS  29           HE3      LYS  29   3.064   1.379 -11.213
  234    HZ1  LYS  29           HZ1      LYS  29   3.680   2.012 -13.456
  235    HZ2  LYS  29           HZ2      LYS  29   3.223   3.345 -12.642
  236    HZ3  LYS  29           HZ3      LYS  29   4.811   3.057 -12.931
  237    H    ILE  30           H        ILE  30   4.323   4.352  -6.873
  238    HA   ILE  30           HA       ILE  30   5.325   3.275  -4.291
  239    HB   ILE  30           HB       ILE  30   7.528   4.264  -4.855
  240   HG12  ILE  30          HG12      ILE  30   6.730   4.293  -7.772
  241   HG13  ILE  30          HG13      ILE  30   6.593   5.747  -6.774
  242   HG21  ILE  30          HG21      ILE  30   8.305   2.431  -6.243
  243   HG22  ILE  30          HG22      ILE  30   7.125   1.861  -5.068
  244   HG23  ILE  30          HG23      ILE  30   6.651   2.047  -6.760
  245   HD11  ILE  30          HD11      ILE  30   8.696   5.692  -8.055
  246   HD12  ILE  30          HD12      ILE  30   8.944   5.768  -6.305
  247   HD13  ILE  30          HD13      ILE  30   9.212   4.237  -7.205
  248    H    ALA  31           H        ALA  31   6.103   4.725  -2.796
  249    HA   ALA  31           HA       ALA  31   5.486   7.617  -3.196
  250    HB1  ALA  31           HB1      ALA  31   3.902   6.739  -1.569
  251    HB2  ALA  31           HB2      ALA  31   5.185   5.842  -0.723
  252    HB3  ALA  31           HB3      ALA  31   5.160   7.620  -0.682
  253    H    VAL  32           H        VAL  32   7.332   8.827  -2.945
  254    HA   VAL  32           HA       VAL  32   9.797   7.390  -2.158
  255    HB   VAL  32           HB       VAL  32   9.616   7.859  -4.474
  256   HG11  VAL  32          HG11      VAL  32   9.477  10.153  -5.420
  257   HG12  VAL  32          HG12      VAL  32   7.980   9.506  -4.765
  258   HG13  VAL  32          HG13      VAL  32   8.917  10.711  -3.831
  259   HG21  VAL  32          HG21      VAL  32  11.813   8.322  -3.248
  260   HG22  VAL  32          HG22      VAL  32  11.624   9.122  -4.815
  261   HG23  VAL  32          HG23      VAL  32  11.416  10.042  -3.330
  262    H    THR  33           H        THR  33  11.394   8.479  -0.913
  263    HA   THR  33           HA       THR  33  11.129  11.324  -0.440
  264    HB   THR  33           HB       THR  33  11.171   9.269   1.817
  265    HG1  THR  33           HG1      THR  33   9.185  10.382   0.599
  266   HG21  THR  33          HG21      THR  33  12.630  11.050   2.518
  267   HG22  THR  33          HG22      THR  33  11.507  12.296   1.923
  268   HG23  THR  33          HG23      THR  33  11.078  11.291   3.326
  269    H    SER  34           H        SER  34  13.263  12.149  -0.571
  270    HA   SER  34           HA       SER  34  15.466  10.173  -0.420
  271    HB2  SER  34           HB2      SER  34  16.824  11.935  -1.323
  272    HB3  SER  34           HB3      SER  34  15.458  11.608  -2.388
  273    HG   SER  34           HG       SER  34  14.462  13.477  -1.582
  274    H    CYS  35           H        CYS  35  17.420  10.787   0.830
  275    HA   CYS  35           HA       CYS  35  17.188  12.951   2.696
  276    HB2  CYS  35           HB2      CYS  35  17.424  11.716   4.739
  277    HB3  CYS  35           HB3      CYS  35  15.993  11.099   3.921
  278    HG   CYS  35           HG       CYS  35  17.127   9.027   2.847
  279    H    GLY  36           H        GLY  36  19.472  12.242   4.256
  280    HA2  GLY  36           HA2      GLY  36  21.430  10.935   2.674
  281    HA3  GLY  36           HA3      GLY  36  21.716  12.689   2.657
  282    H    LEU  37           H        LEU  37  23.582  11.079   3.721
  283    HA   LEU  37           HA       LEU  37  23.383  10.403   6.474
  284    HB2  LEU  37           HB2      LEU  37  25.860  11.294   4.948
  285    HB3  LEU  37           HB3      LEU  37  25.840  10.455   6.496
  286    HG   LEU  37           HG       LEU  37  24.950   9.336   3.807
  287   HD11  LEU  37          HD11      LEU  37  27.199   8.492   5.681
  288   HD12  LEU  37          HD12      LEU  37  26.826   7.810   4.080
  289   HD13  LEU  37          HD13      LEU  37  27.400   9.479   4.222
  290   HD21  LEU  37          HD21      LEU  37  24.811   8.030   6.561
  291   HD22  LEU  37          HD22      LEU  37  23.449   8.372   5.466
  292   HD23  LEU  37          HD23      LEU  37  24.654   7.166   5.016
  293    H    GLU  38           H        GLU  38  23.924  13.467   4.868
  294    HA   GLU  38           HA       GLU  38  23.181  14.880   7.266
  295    HB2  GLU  38           HB2      GLU  38  25.735  14.840   7.301
  296    HB3  GLU  38           HB3      GLU  38  25.694  15.723   5.762
  297    HG2  GLU  38           HG2      GLU  38  24.508  17.587   6.847
  298    HG3  GLU  38           HG3      GLU  38  24.410  16.679   8.355
  299    H    SER  39           H        SER  39  22.095  16.787   6.588
  300    HA   SER  39           HA       SER  39  21.266  16.780   3.761
  301    HB2  SER  39           HB2      SER  39  19.607  18.521   4.736
  302    HB3  SER  39           HB3      SER  39  19.439  16.828   5.216
  303    HG   SER  39           HG       SER  39  19.345  18.392   6.971
  304    H    SER  40           H        SER  40  21.231  18.646   2.469
  305    HA   SER  40           HA       SER  40  22.489  21.141   3.286
  306    HB2  SER  40           HB2      SER  40  23.444  19.547   0.856
  307    HB3  SER  40           HB3      SER  40  23.928  21.199   1.265
  308    HG   SER  40           HG       SER  40  25.483  19.659   1.913
  309    H    ARG  41           H        ARG  41  21.737  22.841   1.710
  310    HA   ARG  41           HA       ARG  41  19.049  22.454   0.875
  311    HB2  ARG  41           HB2      ARG  41  21.102  24.561   0.046
  312    HB3  ARG  41           HB3      ARG  41  19.383  24.626  -0.354
  313    HG2  ARG  41           HG2      ARG  41  18.808  24.618   2.068
  314    HG3  ARG  41           HG3      ARG  41  20.526  24.653   2.481
  315    HD2  ARG  41           HD2      ARG  41  19.062  26.767   0.844
  316    HD3  ARG  41           HD3      ARG  41  19.428  26.890   2.572
  317    HE   ARG  41           HE       ARG  41  21.881  26.401   1.397
  318   HH11  ARG  41          HH11      ARG  41  19.408  28.925   1.079
  319   HH12  ARG  41          HH12      ARG  41  20.521  30.162   0.625
  320   HH21  ARG  41          HH21      ARG  41  23.369  28.042   0.777
  321   HH22  ARG  41          HH22      ARG  41  22.825  29.643   0.456
  322    H    VAL  42           H        VAL  42  18.187  22.411  -1.269
  323    HA   VAL  42           HA       VAL  42  19.328  20.319  -2.831
  324    HB   VAL  42           HB       VAL  42  17.128  22.265  -3.653
  325   HG11  VAL  42          HG11      VAL  42  16.403  20.364  -5.083
  326   HG12  VAL  42          HG12      VAL  42  18.016  20.951  -5.533
  327   HG13  VAL  42          HG13      VAL  42  17.849  19.453  -4.602
  328   HG21  VAL  42          HG21      VAL  42  16.943  19.648  -2.099
  329   HG22  VAL  42          HG22      VAL  42  16.443  21.244  -1.549
  330   HG23  VAL  42          HG23      VAL  42  15.550  20.451  -2.857
  331    H    HIS  43           H        HIS  43  20.722  20.400  -4.577
  332    HA   HIS  43           HA       HIS  43  22.237  22.777  -4.936
  333    HB2  HIS  43           HB2      HIS  43  22.920  20.291  -5.112
  334    HB3  HIS  43           HB3      HIS  43  22.192  20.304  -6.716
  335    HD1  HIS  43           HD1      HIS  43  23.684  21.485  -8.612
  336    HD2  HIS  43           HD2      HIS  43  25.126  21.842  -4.681
  337    HE1  HIS  43           HE1      HIS  43  26.027  22.470  -8.792
  338    HA   PRO  44           HA       PRO  44  19.403  24.694  -7.641
  339    HB2  PRO  44           HB2      PRO  44  20.859  26.616  -8.942
  340    HB3  PRO  44           HB3      PRO  44  20.530  26.661  -7.184
  341    HG2  PRO  44           HG2      PRO  44  23.037  25.720  -8.591
  342    HG3  PRO  44           HG3      PRO  44  22.896  26.749  -7.135
  343    HD2  PRO  44           HD2      PRO  44  23.370  24.018  -7.091
  344    HD3  PRO  44           HD3      PRO  44  22.548  24.893  -5.752
  345    H    THR  45           H        THR  45  22.376  23.766  -9.479
  346    HA   THR  45           HA       THR  45  21.055  23.761 -11.945
  347    HB   THR  45           HB       THR  45  23.405  22.072 -11.035
  348    HG1  THR  45           HG1      THR  45  23.446  24.796 -11.786
  349   HG21  THR  45          HG21      THR  45  22.868  23.313 -13.757
  350   HG22  THR  45          HG22      THR  45  24.383  22.501 -13.259
  351   HG23  THR  45          HG23      THR  45  22.880  21.582 -13.344
  352    H    ALA  46           H        ALA  46  20.737  21.491  -9.358
  353    HA   ALA  46           HA       ALA  46  19.997  19.135 -10.818
  354    HB1  ALA  46           HB1      ALA  46  20.378  19.455  -8.259
  355    HB2  ALA  46           HB2      ALA  46  18.699  20.136  -8.250
  356    HB3  ALA  46           HB3      ALA  46  18.983  18.468  -8.761
  357    H    ILE  47           H        ILE  47  18.233  22.169  -9.825
  358    HA   ILE  47           HA       ILE  47  15.718  21.161 -10.512
  359    HB   ILE  47           HB       ILE  47  16.805  24.007 -10.267
  360   HG12  ILE  47          HG12      ILE  47  14.998  23.638  -8.260
  361   HG13  ILE  47          HG13      ILE  47  15.557  21.985  -8.412
  362   HG21  ILE  47          HG21      ILE  47  14.426  24.696 -10.137
  363   HG22  ILE  47          HG22      ILE  47  14.916  24.115 -11.729
  364   HG23  ILE  47          HG23      ILE  47  13.960  23.057 -10.665
  365   HD11  ILE  47          HD11      ILE  47  17.241  24.464  -7.890
  366   HD12  ILE  47          HD12      ILE  47  16.831  23.195  -6.711
  367   HD13  ILE  47          HD13      ILE  47  17.898  22.832  -8.097
  368    H    ALA  48           H        ALA  48  18.252  22.906 -12.357
  369    HA   ALA  48           HA       ALA  48  16.744  23.379 -14.646
  370    HB1  ALA  48           HB1      ALA  48  18.892  23.696 -15.794
  371    HB2  ALA  48           HB2      ALA  48  18.929  24.448 -14.185
  372    HB3  ALA  48           HB3      ALA  48  19.744  22.886 -14.466
  373    H    MET  49           H        MET  49  18.613  20.501 -13.746
  374    HA   MET  49           HA       MET  49  18.379  19.104 -16.237
  375    HB2  MET  49           HB2      MET  49  18.743  18.234 -13.334
  376    HB3  MET  49           HB3      MET  49  18.600  17.048 -14.617
  377    HG2  MET  49           HG2      MET  49  20.684  19.227 -14.448
  378    HG3  MET  49           HG3      MET  49  20.899  17.495 -14.145
  379    HE1  MET  49           HE1      MET  49  21.062  20.336 -16.502
  380    HE2  MET  49           HE2      MET  49  22.599  19.425 -16.701
  381    HE3  MET  49           HE3      MET  49  21.509  19.600 -18.065
  382    H    MET  50           H        MET  50  16.355  19.157 -13.337
  383    HA   MET  50           HA       MET  50  14.486  17.201 -14.344
  384    HB2  MET  50           HB2      MET  50  14.397  19.138 -11.983
  385    HB3  MET  50           HB3      MET  50  13.204  17.877 -12.312
  386    HG2  MET  50           HG2      MET  50  15.517  16.420 -12.575
  387    HG3  MET  50           HG3      MET  50  16.071  17.617 -11.453
  388    HE1  MET  50           HE1      MET  50  13.164  15.576 -12.429
  389    HE2  MET  50           HE2      MET  50  13.519  14.170 -11.396
  390    HE3  MET  50           HE3      MET  50  12.250  15.324 -10.925
  391    H    GLU  51           H        GLU  51  14.681  20.778 -14.378
  392    HA   GLU  51           HA       GLU  51  12.147  21.238 -15.556
  393    HB2  GLU  51           HB2      GLU  51  14.799  22.685 -15.520
  394    HB3  GLU  51           HB3      GLU  51  13.491  23.267 -16.555
  395    HG2  GLU  51           HG2      GLU  51  11.981  23.340 -14.552
  396    HG3  GLU  51           HG3      GLU  51  13.360  22.955 -13.526
  397    H    GLU  52           H        GLU  52  15.194  20.050 -16.985
  398    HA   GLU  52           HA       GLU  52  14.333  20.367 -19.681
  399    HB2  GLU  52           HB2      GLU  52  16.100  18.102 -18.737
  400    HB3  GLU  52           HB3      GLU  52  15.964  18.765 -20.354
  401    HG2  GLU  52           HG2      GLU  52  16.749  21.019 -19.070
  402    HG3  GLU  52           HG3      GLU  52  17.462  19.809 -17.997
  403    H    VAL  53           H        VAL  53  13.821  17.826 -17.237
  404    HA   VAL  53           HA       VAL  53  12.395  16.130 -19.188
  405    HB   VAL  53           HB       VAL  53  12.741  15.869 -16.185
  406   HG11  VAL  53          HG11      VAL  53  11.729  13.830 -18.224
  407   HG12  VAL  53          HG12      VAL  53  12.135  13.475 -16.531
  408   HG13  VAL  53          HG13      VAL  53  10.784  14.546 -16.901
  409   HG21  VAL  53          HG21      VAL  53  14.189  14.627 -18.577
  410   HG22  VAL  53          HG22      VAL  53  14.885  15.711 -17.358
  411   HG23  VAL  53          HG23      VAL  53  14.390  14.072 -16.911
  412    H    GLY  54           H        GLY  54  11.559  18.714 -16.991
  413    HA2  GLY  54           HA2      GLY  54   9.541  19.965 -17.419
  414    HA3  GLY  54           HA3      GLY  54   8.673  18.463 -17.757
  415    H    ILE  55           H        ILE  55  10.966  18.779 -15.079
  416    HA   ILE  55           HA       ILE  55   8.743  18.685 -13.078
  417    HB   ILE  55           HB       ILE  55  11.306  17.065 -13.059
  418   HG12  ILE  55          HG12      ILE  55   8.605  15.737 -13.357
  419   HG13  ILE  55          HG13      ILE  55   9.413  16.331 -14.795
  420   HG21  ILE  55          HG21      ILE  55  10.662  17.281 -10.776
  421   HG22  ILE  55          HG22      ILE  55   8.925  17.144 -11.164
  422   HG23  ILE  55          HG23      ILE  55   9.982  15.735 -11.238
  423   HD11  ILE  55          HD11      ILE  55  11.435  15.090 -14.292
  424   HD12  ILE  55          HD12      ILE  55  10.652  14.349 -12.873
  425   HD13  ILE  55          HD13      ILE  55  10.024  14.035 -14.503
  426    H    ASP  56           H        ASP  56   9.975  19.085 -10.764
  427    HA   ASP  56           HA       ASP  56  12.028  21.207 -10.946
  428    HB2  ASP  56           HB2      ASP  56  10.001  22.525 -10.924
  429    HB3  ASP  56           HB3      ASP  56   9.261  21.453  -9.720
  430    H    ILE  57           H        ILE  57  13.062  21.473  -8.881
  431    HA   ILE  57           HA       ILE  57  12.341  19.543  -6.780
  432    HB   ILE  57           HB       ILE  57  15.195  20.203  -6.992
  433   HG12  ILE  57          HG12      ILE  57  14.058  18.096  -8.837
  434   HG13  ILE  57          HG13      ILE  57  14.855  19.580  -9.353
  435   HG21  ILE  57          HG21      ILE  57  13.646  17.652  -6.427
  436   HG22  ILE  57          HG22      ILE  57  15.349  17.930  -6.025
  437   HG23  ILE  57          HG23      ILE  57  14.131  18.845  -5.185
  438   HD11  ILE  57          HD11      ILE  57  16.622  18.086  -9.441
  439   HD12  ILE  57          HD12      ILE  57  16.834  18.783  -7.829
  440   HD13  ILE  57          HD13      ILE  57  16.083  17.187  -8.008
  441    H    SER  58           H        SER  58  13.250  22.808  -7.603
  442    HA   SER  58           HA       SER  58  14.339  23.745  -5.248
  443    HB2  SER  58           HB2      SER  58  13.364  25.961  -5.819
  444    HB3  SER  58           HB3      SER  58  14.237  25.205  -7.135
  445    HG   SER  58           HG       SER  58  12.147  24.511  -7.976
  446    H    GLY  59           H        GLY  59  10.903  22.995  -5.863
  447    HA2  GLY  59           HA2      GLY  59   9.910  24.350  -3.521
  448    HA3  GLY  59           HA3      GLY  59   9.037  23.252  -4.591
  449    H    GLN  60           H        GLN  60  11.187  21.023  -3.998
  450    HA   GLN  60           HA       GLN  60   9.520  20.083  -1.812
  451    HB2  GLN  60           HB2      GLN  60  10.518  17.877  -2.208
  452    HB3  GLN  60           HB3      GLN  60   9.685  18.569  -3.611
  453    HG2  GLN  60           HG2      GLN  60  11.804  18.961  -4.712
  454    HG3  GLN  60           HG3      GLN  60  12.701  18.504  -3.258
  455   HE21  GLN  60          HE22      GLN  60  13.794  16.718  -4.129
  456   HE22  GLN  60          HE21      GLN  60  12.990  15.292  -4.756
  457    H    THR  61           H        THR  61  12.823  20.956  -2.144
  458    HA   THR  61           HA       THR  61  14.403  21.434  -0.637
  459    HB   THR  61           HB       THR  61  13.870  22.093   1.593
  460    HG1  THR  61           HG1      THR  61  11.596  20.538   1.206
  461   HG21  THR  61          HG21      THR  61  12.195  23.756   1.139
  462   HG22  THR  61          HG22      THR  61  13.220  23.520  -0.287
  463   HG23  THR  61          HG23      THR  61  11.569  22.823  -0.253
  464    H    SER  62           H        SER  62  15.383  20.723   1.568
  465    HA   SER  62           HA       SER  62  16.077  17.882   1.072
  466    HB2  SER  62           HB2      SER  62  17.621  20.041   2.537
  467    HB3  SER  62           HB3      SER  62  18.220  18.458   2.005
  468    HG   SER  62           HG       SER  62  18.842  19.927   0.553
  469    H    ASP  63           H        ASP  63  16.829  16.528   2.903
  470    HA   ASP  63           HA       ASP  63  15.627  17.074   5.532
  471    HB2  ASP  63           HB2      ASP  63  14.011  15.924   3.601
  472    HB3  ASP  63           HB3      ASP  63  14.733  14.495   4.317
  473    HA   PRO  64           HA       PRO  64  19.234  14.372   6.169
  474    HB2  PRO  64           HB2      PRO  64  19.318  14.247   8.888
  475    HB3  PRO  64           HB3      PRO  64  19.693  15.747   7.996
  476    HG2  PRO  64           HG2      PRO  64  17.072  14.960   9.306
  477    HG3  PRO  64           HG3      PRO  64  17.954  16.513   9.447
  478    HD2  PRO  64           HD2      PRO  64  15.878  16.145   7.693
  479    HD3  PRO  64           HD3      PRO  64  17.258  17.210   7.311
  480    H    ILE  65           H        ILE  65  19.729  12.189   6.771
  481    HA   ILE  65           HA       ILE  65  17.696  10.242   6.627
  482    HB   ILE  65           HB       ILE  65  20.037   9.935   6.080
  483   HG12  ILE  65          HG12      ILE  65  19.046   7.895   8.104
  484   HG13  ILE  65          HG13      ILE  65  18.398   8.093   6.469
  485   HG21  ILE  65          HG21      ILE  65  21.126  11.040   8.050
  486   HG22  ILE  65          HG22      ILE  65  20.601   9.681   9.071
  487   HG23  ILE  65          HG23      ILE  65  21.743   9.419   7.749
  488   HD11  ILE  65          HD11      ILE  65  19.968   6.381   6.220
  489   HD12  ILE  65          HD12      ILE  65  20.809   7.828   5.645
  490   HD13  ILE  65          HD13      ILE  65  21.168   7.182   7.263
  491    H    GLU  66           H        GLU  66  19.132  11.858   9.407
  492    HA   GLU  66           HA       GLU  66  18.383  10.265  11.503
  493    HB2  GLU  66           HB2      GLU  66  18.374  13.313  11.548
  494    HB3  GLU  66           HB3      GLU  66  18.734  12.212  12.880
  495    HG2  GLU  66           HG2      GLU  66  20.759  11.427  11.498
  496    HG3  GLU  66           HG3      GLU  66  20.446  12.791  10.416
  497    H    ASN  67           H        ASN  67  16.258  12.229   9.552
  498    HA   ASN  67           HA       ASN  67  14.204  12.562  11.596
  499    HB2  ASN  67           HB2      ASN  67  14.783  14.261   9.824
  500    HB3  ASN  67           HB3      ASN  67  14.148  13.143   8.619
  501   HD21  ASN  67          HD22      ASN  67  12.602  14.701   7.984
  502   HD22  ASN  67          HD21      ASN  67  11.156  15.021   8.944
  503    H    PHE  68           H        PHE  68  15.057   9.814   9.687
  504    HA   PHE  68           HA       PHE  68  12.229   8.909   9.594
  505    HB2  PHE  68           HB2      PHE  68  14.500   8.453   7.624
  506    HB3  PHE  68           HB3      PHE  68  12.879   7.756   7.538
  507    HD1  PHE  68           HD2      PHE  68  10.909   9.157   7.106
  508    HD2  PHE  68           HD1      PHE  68  14.920  10.719   6.877
  509    HE1  PHE  68           HE2      PHE  68  10.051  11.215   5.969
  510    HE2  PHE  68           HE1      PHE  68  14.082  12.724   5.702
  511    HZ   PHE  68           HZ       PHE  68  11.643  13.001   5.274
  512    H    ASN  69           H        ASN  69  12.250   6.546   9.049
  513    HA   ASN  69           HA       ASN  69  14.254   4.879  10.424
  514    HB2  ASN  69           HB2      ASN  69  12.235   3.355  10.993
  515    HB3  ASN  69           HB3      ASN  69  12.598   4.711  12.057
  516   HD21  ASN  69          HD22      ASN  69  10.777   4.931   8.900
  517   HD22  ASN  69          HD21      ASN  69   9.280   5.412   9.675
  518    H    ALA  70           H        ALA  70  14.565   2.954   9.302
  519    HA   ALA  70           HA       ALA  70  14.011   3.083   6.442
  520    HB1  ALA  70           HB1      ALA  70  15.274   0.847   8.072
  521    HB2  ALA  70           HB2      ALA  70  15.414   1.115   6.324
  522    HB3  ALA  70           HB3      ALA  70  16.172   2.251   7.458
  523    H    ASP  71           H        ASP  71  12.559   1.511   9.217
  524    HA   ASP  71           HA       ASP  71  11.471  -0.781   8.030
  525    HB2  ASP  71           HB2      ASP  71  11.561  -0.369  10.446
  526    HB3  ASP  71           HB3      ASP  71  10.400   0.952  10.288
  527    H    ASP  72           H        ASP  72  10.491   2.547   7.586
  528    HA   ASP  72           HA       ASP  72   7.765   1.929   6.803
  529    HB2  ASP  72           HB2      ASP  72   8.394   4.010   8.010
  530    HB3  ASP  72           HB3      ASP  72   9.359   4.510   6.614
  531    H    TYR  73           H        TYR  73  10.886   1.853   5.305
  532    HA   TYR  73           HA       TYR  73   9.833   2.435   2.660
  533    HB2  TYR  73           HB2      TYR  73  12.645   2.517   3.771
  534    HB3  TYR  73           HB3      TYR  73  12.219   2.828   2.092
  535    HD1  TYR  73           HD2      TYR  73  10.733   4.799   1.511
  536    HD2  TYR  73           HD1      TYR  73  12.391   4.259   5.447
  537    HE1  TYR  73           HE2      TYR  73  10.231   7.155   2.041
  538    HE2  TYR  73           HE1      TYR  73  11.984   6.667   5.984
  539    HH   TYR  73           HH       TYR  73  11.116   8.694   5.136
  540    H    ASP  74           H        ASP  74   9.798   0.850   1.099
  541    HA   ASP  74           HA       ASP  74  10.376  -1.910   1.880
  542    HB2  ASP  74           HB2      ASP  74   8.432  -1.419   0.463
  543    HB3  ASP  74           HB3      ASP  74   9.470  -0.670  -0.745
  544    H    VAL  75           H        VAL  75  11.667   0.630  -0.256
  545    HA   VAL  75           HA       VAL  75  14.081  -1.046  -0.755
  546    HB   VAL  75           HB       VAL  75  12.846  -1.282  -2.630
  547   HG11  VAL  75          HG11      VAL  75  11.687   0.289  -4.015
  548   HG12  VAL  75          HG12      VAL  75  10.978   0.132  -2.408
  549   HG13  VAL  75          HG13      VAL  75  11.987   1.528  -2.798
  550   HG21  VAL  75          HG21      VAL  75  14.061  -0.299  -4.432
  551   HG22  VAL  75          HG22      VAL  75  14.460   1.138  -3.468
  552   HG23  VAL  75          HG23      VAL  75  15.195  -0.421  -3.080
  553    H    VAL  76           H        VAL  76  16.024  -0.155  -0.555
  554    HA   VAL  76           HA       VAL  76  16.117   2.806  -0.095
  555    HB   VAL  76           HB       VAL  76  18.070   0.939   1.203
  556   HG11  VAL  76          HG11      VAL  76  18.577   3.340   1.117
  557   HG12  VAL  76          HG12      VAL  76  17.069   3.672   2.006
  558   HG13  VAL  76          HG13      VAL  76  18.376   2.741   2.763
  559   HG21  VAL  76          HG21      VAL  76  15.415   1.734   2.456
  560   HG22  VAL  76          HG22      VAL  76  15.934   0.085   2.023
  561   HG23  VAL  76          HG23      VAL  76  16.787   0.947   3.287
  562    H    ILE  77           H        ILE  77  17.173   3.825  -1.619
  563    HA   ILE  77           HA       ILE  77  19.295   2.471  -3.178
  564    HB   ILE  77           HB       ILE  77  17.489   4.834  -3.805
  565   HG12  ILE  77          HG12      ILE  77  16.208   2.826  -4.031
  566   HG13  ILE  77          HG13      ILE  77  16.642   3.405  -5.633
  567   HG21  ILE  77          HG21      ILE  77  18.531   4.752  -6.056
  568   HG22  ILE  77          HG22      ILE  77  19.660   5.235  -4.805
  569   HG23  ILE  77          HG23      ILE  77  19.730   3.585  -5.434
  570   HD11  ILE  77          HD11      ILE  77  18.011   1.094  -4.178
  571   HD12  ILE  77          HD12      ILE  77  16.828   0.956  -5.493
  572   HD13  ILE  77          HD13      ILE  77  18.414   1.687  -5.799
  573    H    SER  78           H        SER  78  21.090   2.811  -2.077
  574    HA   SER  78           HA       SER  78  21.695   5.412  -0.853
  575    HB2  SER  78           HB2      SER  78  22.575   3.292   0.048
  576    HB3  SER  78           HB3      SER  78  23.386   3.014  -1.518
  577    HG   SER  78           HG       SER  78  24.852   4.379  -1.061
  578    H    LEU  79           H        LEU  79  23.299   6.751  -1.883
  579    HA   LEU  79           HA       LEU  79  24.389   6.050  -4.479
  580    HB2  LEU  79           HB2      LEU  79  23.428   8.697  -4.974
  581    HB3  LEU  79           HB3      LEU  79  23.165   7.239  -5.835
  582    HG   LEU  79           HG       LEU  79  21.147   6.858  -4.091
  583   HD11  LEU  79          HD11      LEU  79  21.518   9.871  -4.038
  584   HD12  LEU  79          HD12      LEU  79  20.266   8.908  -3.213
  585   HD13  LEU  79          HD13      LEU  79  21.960   8.785  -2.733
  586   HD21  LEU  79          HD21      LEU  79  20.794   7.194  -6.479
  587   HD22  LEU  79          HD22      LEU  79  19.675   8.219  -5.573
  588   HD23  LEU  79          HD23      LEU  79  21.109   8.936  -6.336
  589    H    CYS  80           H        CYS  80  25.569   6.073  -2.078
  590    HA   CYS  80           HA       CYS  80  26.664   8.637  -1.275
  591    HB2  CYS  80           HB2      CYS  80  27.413   5.758  -0.656
  592    HB3  CYS  80           HB3      CYS  80  28.225   7.174   0.058
  593    HG   CYS  80           HG       CYS  80  25.109   6.095   0.297
  594    H    GLY  81           H        GLY  81  27.478   6.323  -3.744
  595    HA2  GLY  81           HA2      GLY  81  28.522   7.206  -5.713
  596    HA3  GLY  81           HA3      GLY  81  29.539   8.245  -4.727
  597    H    CYS  82           H        CYS  82  30.805   6.765  -2.948
  598    HA   CYS  82           HA       CYS  82  32.578   5.230  -4.647
  599    HB2  CYS  82           HB2      CYS  82  32.776   5.884  -1.670
  600    HB3  CYS  82           HB3      CYS  82  34.067   5.207  -2.668
  601    HG   CYS  82           HG       CYS  82  32.472   8.090  -3.123
  602    H    GLY  83           H        GLY  83  30.030   3.950  -4.277
  603    HA2  GLY  83           HA2      GLY  83  29.102   1.920  -3.879
  604    HA3  GLY  83           HA3      GLY  83  30.747   1.251  -3.838
  605    H    VAL  84           H        VAL  84  29.570   3.744  -1.612
  606    HA   VAL  84           HA       VAL  84  30.335   2.250   0.703
  607    HB   VAL  84           HB       VAL  84  28.723   4.758   0.764
  608   HG11  VAL  84          HG11      VAL  84  30.903   3.658   2.567
  609   HG12  VAL  84          HG12      VAL  84  30.188   5.275   2.731
  610   HG13  VAL  84          HG13      VAL  84  29.175   3.867   2.958
  611   HG21  VAL  84          HG21      VAL  84  31.698   4.579   0.162
  612   HG22  VAL  84          HG22      VAL  84  30.440   5.330  -0.858
  613   HG23  VAL  84          HG23      VAL  84  30.873   6.064   0.675
  614    H    ASN  85           H        ASN  85  28.692   2.188   2.574
  615    HA   ASN  85           HA       ASN  85  26.075   1.165   1.690
  616    HB2  ASN  85           HB2      ASN  85  27.926  -0.685   1.852
  617    HB3  ASN  85           HB3      ASN  85  27.894  -0.393   3.591
  618   HD21  ASN  85          HD22      ASN  85  25.970  -1.440   0.778
  619   HD22  ASN  85          HD21      ASN  85  24.730  -2.263   1.689
  620    H    LEU  86           H        LEU  86  24.849   0.458   3.818
  621    HA   LEU  86           HA       LEU  86  24.932   2.783   5.706
  622    HB2  LEU  86           HB2      LEU  86  22.442   1.565   4.464
  623    HB3  LEU  86           HB3      LEU  86  22.571   2.986   5.498
  624    HG   LEU  86           HG       LEU  86  23.524   2.731   2.612
  625   HD11  LEU  86          HD11      LEU  86  21.235   4.337   3.814
  626   HD12  LEU  86          HD12      LEU  86  21.696   4.255   2.099
  627   HD13  LEU  86          HD13      LEU  86  21.063   2.817   2.913
  628   HD21  LEU  86          HD21      LEU  86  24.989   4.307   3.755
  629   HD22  LEU  86          HD22      LEU  86  23.891   5.177   2.692
  630   HD23  LEU  86          HD23      LEU  86  23.585   5.158   4.449
  631    HA   PRO  87           HA       PRO  87  25.379  -1.280   7.849
  632    HB2  PRO  87           HB2      PRO  87  26.066   0.738   9.992
  633    HB3  PRO  87           HB3      PRO  87  26.764  -0.886   9.707
  634    HG2  PRO  87           HG2      PRO  87  28.064   1.325   8.832
  635    HG3  PRO  87           HG3      PRO  87  27.951  -0.127   7.783
  636    HD2  PRO  87           HD2      PRO  87  26.336   2.420   7.648
  637    HD3  PRO  87           HD3      PRO  87  27.019   1.421   6.331
  638    HA   PRO  88           HA       PRO  88  22.010   0.087  10.992
  639    HB2  PRO  88           HB2      PRO  88  20.543   2.242   9.542
  640    HB3  PRO  88           HB3      PRO  88  20.935   2.135  11.277
  641    HG2  PRO  88           HG2      PRO  88  22.213   3.858   9.561
  642    HG3  PRO  88           HG3      PRO  88  23.049   3.087  10.951
  643    HD2  PRO  88           HD2      PRO  88  23.174   2.352   8.041
  644    HD3  PRO  88           HD3      PRO  88  24.454   2.310   9.275
  645    H    GLU  89           H        GLU  89  19.448   0.148  10.763
  646    HA   GLU  89           HA       GLU  89  18.409  -1.882   9.262
  647    HB2  GLU  89           HB2      GLU  89  16.216  -0.697   9.640
  648    HB3  GLU  89           HB3      GLU  89  17.208  -1.000  11.070
  649    HG2  GLU  89           HG2      GLU  89  17.948   1.357  11.096
  650    HG3  GLU  89           HG3      GLU  89  17.046   1.676   9.620
  651    H    TRP  90           H        TRP  90  19.302   1.159   8.034
  652    HA   TRP  90           HA       TRP  90  17.738   1.407   5.683
  653    HB2  TRP  90           HB2      TRP  90  20.533   2.365   6.386
  654    HB3  TRP  90           HB3      TRP  90  19.640   2.867   4.949
  655    HD1  TRP  90           HD1      TRP  90  20.252   3.997   8.353
  656    HE1  TRP  90           HE1      TRP  90  18.542   5.669   9.166
  657    HE3  TRP  90           HE3      TRP  90  16.853   3.464   4.582
  658    HZ2  TRP  90           HZ2      TRP  90  15.945   6.714   8.242
  659    HZ3  TRP  90           HZ3      TRP  90  14.781   4.823   4.556
  660    HH2  TRP  90           HH2      TRP  90  14.328   6.440   6.361
  661    H    VAL  91           H        VAL  91  19.969  -1.081   6.402
  662    HA   VAL  91           HA       VAL  91  19.987  -1.662   3.502
  663    HB   VAL  91           HB       VAL  91  22.213  -1.183   4.531
  664   HG11  VAL  91          HG11      VAL  91  21.960  -2.371   6.705
  665   HG12  VAL  91          HG12      VAL  91  21.941  -3.924   5.847
  666   HG13  VAL  91          HG13      VAL  91  23.385  -2.890   5.824
  667   HG21  VAL  91          HG21      VAL  91  21.998  -3.909   3.234
  668   HG22  VAL  91          HG22      VAL  91  22.088  -2.333   2.416
  669   HG23  VAL  91          HG23      VAL  91  23.450  -2.915   3.378
  670    H    THR  92           H        THR  92  18.420  -2.618   6.327
  671    HA   THR  92           HA       THR  92  18.393  -5.453   5.514
  672    HB   THR  92           HB       THR  92  17.617  -5.875   7.818
  673    HG1  THR  92           HG1      THR  92  16.567  -4.054   8.392
  674   HG21  THR  92          HG21      THR  92  20.072  -4.049   7.807
  675   HG22  THR  92          HG22      THR  92  19.670  -5.311   8.989
  676   HG23  THR  92          HG23      THR  92  20.075  -5.759   7.324
  677    H    GLN  93           H        GLN  93  16.894  -3.262   4.234
  678    HA   GLN  93           HA       GLN  93  14.083  -4.128   4.579
  679    HB2  GLN  93           HB2      GLN  93  15.169  -1.966   2.742
  680    HB3  GLN  93           HB3      GLN  93  13.485  -2.288   3.160
  681    HG2  GLN  93           HG2      GLN  93  15.641  -1.118   4.930
  682    HG3  GLN  93           HG3      GLN  93  14.146  -0.365   4.412
  683   HE21  GLN  93          HE22      GLN  93  15.566  -1.546   7.095
  684   HE22  GLN  93          HE21      GLN  93  14.180  -2.205   7.949
  685    H    GLU  94           H        GLU  94  13.097  -4.062   2.062
  686    HA   GLU  94           HA       GLU  94  13.881  -6.682   1.278
  687    HB2  GLU  94           HB2      GLU  94  11.992  -4.685  -0.007
  688    HB3  GLU  94           HB3      GLU  94  12.139  -6.370  -0.503
  689    HG2  GLU  94           HG2      GLU  94  11.203  -5.376   2.225
  690    HG3  GLU  94           HG3      GLU  94  10.199  -6.074   0.962
  691    H    ILE  95           H        ILE  95  14.673  -3.500  -0.085
  692    HA   ILE  95           HA       ILE  95  16.438  -4.882  -2.082
  693    HB   ILE  95           HB       ILE  95  14.509  -2.641  -2.534
  694   HG12  ILE  95          HG12      ILE  95  14.693  -5.524  -3.478
  695   HG13  ILE  95          HG13      ILE  95  13.363  -4.724  -2.629
  696   HG21  ILE  95          HG21      ILE  95  16.581  -3.802  -4.479
  697   HG22  ILE  95          HG22      ILE  95  15.400  -2.530  -4.860
  698   HG23  ILE  95          HG23      ILE  95  16.688  -2.194  -3.731
  699   HD11  ILE  95          HD11      ILE  95  12.691  -5.085  -4.874
  700   HD12  ILE  95          HD12      ILE  95  12.990  -3.336  -4.694
  701   HD13  ILE  95          HD13      ILE  95  14.191  -4.386  -5.506
  702    H    PHE  96           H        PHE  96  18.472  -3.860  -2.285
  703    HA   PHE  96           HA       PHE  96  18.854  -1.197  -1.267
  704    HB2  PHE  96           HB2      PHE  96  19.517  -2.488   0.686
  705    HB3  PHE  96           HB3      PHE  96  20.523  -3.544  -0.311
  706    HD1  PHE  96           HD1      PHE  96  22.664  -2.728  -1.285
  707    HD2  PHE  96           HD2      PHE  96  20.203  -0.155   1.156
  708    HE1  PHE  96           HE1      PHE  96  24.425  -0.984  -1.344
  709    HE2  PHE  96           HE2      PHE  96  22.009   1.523   1.187
  710    HZ   PHE  96           HZ       PHE  96  24.135   1.121  -0.051
  711    H    GLU  97           H        GLU  97  20.274  -0.116  -2.573
  712    HA   GLU  97           HA       GLU  97  22.336  -1.509  -4.115
  713    HB2  GLU  97           HB2      GLU  97  20.146   0.205  -5.375
  714    HB3  GLU  97           HB3      GLU  97  21.754   0.074  -6.089
  715    HG2  GLU  97           HG2      GLU  97  21.531  -2.374  -6.177
  716    HG3  GLU  97           HG3      GLU  97  19.831  -2.225  -5.671
  717    H    ASP  98           H        ASP  98  23.963   0.039  -4.760
  718    HA   ASP  98           HA       ASP  98  23.735   2.753  -3.647
  719    HB2  ASP  98           HB2      ASP  98  25.405   1.590  -2.282
  720    HB3  ASP  98           HB3      ASP  98  26.373   1.289  -3.738
  721    H    TRP  99           H        TRP  99  23.316   3.990  -5.380
  722    HA   TRP  99           HA       TRP  99  24.270   3.272  -8.050
  723    HB2  TRP  99           HB2      TRP  99  22.638   5.640  -7.094
  724    HB3  TRP  99           HB3      TRP  99  23.028   5.286  -8.752
  725    HD1  TRP  99           HD1      TRP  99  22.233   1.969  -7.361
  726    HE1  TRP  99           HE1      TRP  99  19.834   1.288  -7.857
  727    HE3  TRP  99           HE3      TRP  99  20.423   6.554  -8.678
  728    HZ2  TRP  99           HZ2      TRP  99  17.284   2.666  -8.502
  729    HZ3  TRP  99           HZ3      TRP  99  18.016   6.865  -9.129
  730    HH2  TRP  99           HH2      TRP  99  16.468   4.940  -9.006
  731    H    GLN 100           H        GLN 100  26.451   3.333  -7.989
  732    HA   GLN 100           HA       GLN 100  28.050   5.588  -7.280
  733    HB2  GLN 100           HB2      GLN 100  28.937   3.349  -7.604
  734    HB3  GLN 100           HB3      GLN 100  28.466   3.337  -9.305
  735    HG2  GLN 100           HG2      GLN 100  30.143   4.867  -9.928
  736    HG3  GLN 100           HG3      GLN 100  30.313   5.517  -8.298
  737   HE21  GLN 100          HE22      GLN 100  31.135   3.998  -6.603
  738   HE22  GLN 100          HE21      GLN 100  32.364   2.814  -7.050
  739    H    LEU 101           H        LEU 101  28.070   7.558  -8.231
  740    HA   LEU 101           HA       LEU 101  27.191   8.021 -11.009
  741    HB2  LEU 101           HB2      LEU 101  25.819   8.943  -8.444
  742    HB3  LEU 101           HB3      LEU 101  25.619   9.823  -9.953
  743    HG   LEU 101           HG       LEU 101  24.810   6.900  -9.600
  744   HD11  LEU 101          HD11      LEU 101  23.542   8.287  -8.094
  745   HD12  LEU 101          HD12      LEU 101  23.178   9.437  -9.392
  746   HD13  LEU 101          HD13      LEU 101  22.527   7.773  -9.445
  747   HD21  LEU 101          HD21      LEU 101  25.214   7.380 -11.927
  748   HD22  LEU 101          HD22      LEU 101  23.479   7.273 -11.625
  749   HD23  LEU 101          HD23      LEU 101  24.242   8.861 -11.841
  750    H    GLU 102           H        GLU 102  27.868  10.141 -11.694
  751    HA   GLU 102           HA       GLU 102  30.185  11.105 -10.299
  752    HB2  GLU 102           HB2      GLU 102  28.967  11.768 -13.005
  753    HB3  GLU 102           HB3      GLU 102  30.419  12.568 -12.393
  754    HG2  GLU 102           HG2      GLU 102  30.168   9.558 -12.694
  755    HG3  GLU 102           HG3      GLU 102  30.825  10.625 -13.939
  756    H    ASP 103           H        ASP 103  28.802  11.572  -8.564
  757    HA   ASP 103           HA       ASP 103  27.085  13.135  -7.652
  758    HB2  ASP 103           HB2      ASP 103  28.884  12.496  -6.239
  759    HB3  ASP 103           HB3      ASP 103  29.976  13.697  -6.944
  760    HA   PRO 104           HA       PRO 104  27.258  16.573 -10.575
  761    HB2  PRO 104           HB2      PRO 104  24.517  17.020  -9.461
  762    HB3  PRO 104           HB3      PRO 104  25.135  17.102 -11.159
  763    HG2  PRO 104           HG2      PRO 104  23.827  14.891 -10.286
  764    HG3  PRO 104           HG3      PRO 104  25.264  14.790 -11.357
  765    HD2  PRO 104           HD2      PRO 104  25.106  14.329  -8.379
  766    HD3  PRO 104           HD3      PRO 104  26.065  13.455  -9.627
  767    H    ASP 105           H        ASP 105  27.203  16.855  -7.133
  768    HA   ASP 105           HA       ASP 105  26.732  19.615  -6.761
  769    HB2  ASP 105           HB2      ASP 105  26.871  17.999  -4.948
  770    HB3  ASP 105           HB3      ASP 105  28.588  17.738  -5.255
  771    H    GLY 106           H        GLY 106  27.582  20.959  -8.196
  772    HA2  GLY 106           HA2      GLY 106  29.077  22.714  -8.490
  773    HA3  GLY 106           HA3      GLY 106  30.382  21.751  -7.787
  774    H    GLN 107           H        GLN 107  28.406  20.282 -10.340
  775    HA   GLN 107           HA       GLN 107  30.880  20.141 -11.951
  776    HB2  GLN 107           HB2      GLN 107  28.325  18.549 -12.232
  777    HB3  GLN 107           HB3      GLN 107  29.912  18.173 -12.911
  778    HG2  GLN 107           HG2      GLN 107  29.358  18.238  -9.924
  779    HG3  GLN 107           HG3      GLN 107  29.187  16.834 -10.977
  780   HE21  GLN 107          HE22      GLN 107  30.595  15.809  -9.509
  781   HE22  GLN 107          HE21      GLN 107  32.332  15.890  -9.812
  782    H    SER 108           H        SER 108  30.359  19.586 -14.341
  783    HA   SER 108           HA       SER 108  29.335  21.972 -15.669
  784    HB2  SER 108           HB2      SER 108  30.501  19.319 -16.623
  785    HB3  SER 108           HB3      SER 108  30.243  20.753 -17.649
  786    HG   SER 108           HG       SER 108  32.407  20.598 -16.899
  787    H    LEU 109           H        LEU 109  27.648  21.843 -17.348
  788    HA   LEU 109           HA       LEU 109  25.354  20.420 -16.552
  789    HB2  LEU 109           HB2      LEU 109  26.033  21.649 -19.248
  790    HB3  LEU 109           HB3      LEU 109  24.442  21.009 -18.837
  791    HG   LEU 109           HG       LEU 109  25.809  23.261 -17.312
  792   HD11  LEU 109          HD11      LEU 109  23.608  23.387 -19.424
  793   HD12  LEU 109          HD12      LEU 109  24.226  24.759 -18.477
  794   HD13  LEU 109          HD13      LEU 109  25.286  23.934 -19.628
  795   HD21  LEU 109          HD21      LEU 109  22.937  22.220 -17.220
  796   HD22  LEU 109          HD22      LEU 109  24.144  22.094 -15.921
  797   HD23  LEU 109          HD23      LEU 109  23.529  23.675 -16.394
  798    H    GLU 110           H        GLU 110  27.889  19.444 -18.838
  799    HA   GLU 110           HA       GLU 110  26.512  17.225 -19.948
  800    HB2  GLU 110           HB2      GLU 110  29.486  17.691 -19.474
  801    HB3  GLU 110           HB3      GLU 110  28.818  16.357 -20.428
  802    HG2  GLU 110           HG2      GLU 110  27.718  18.002 -21.946
  803    HG3  GLU 110           HG3      GLU 110  28.453  19.324 -21.036
  804    H    VAL 111           H        VAL 111  28.359  17.569 -16.891
  805    HA   VAL 111           HA       VAL 111  28.326  14.743 -16.249
  806    HB   VAL 111           HB       VAL 111  28.707  17.202 -14.523
  807   HG11  VAL 111          HG11      VAL 111  28.017  15.442 -13.041
  808   HG12  VAL 111          HG12      VAL 111  29.062  14.258 -13.864
  809   HG13  VAL 111          HG13      VAL 111  29.775  15.564 -12.904
  810   HG21  VAL 111          HG21      VAL 111  31.112  16.596 -14.601
  811   HG22  VAL 111          HG22      VAL 111  30.738  15.248 -15.694
  812   HG23  VAL 111          HG23      VAL 111  30.496  16.924 -16.223
  813    H    PHE 112           H        PHE 112  26.348  17.619 -15.381
  814    HA   PHE 112           HA       PHE 112  24.462  16.315 -13.727
  815    HB2  PHE 112           HB2      PHE 112  24.440  18.793 -15.440
  816    HB3  PHE 112           HB3      PHE 112  22.932  18.178 -14.823
  817    HD1  PHE 112           HD1      PHE 112  22.344  18.162 -12.468
  818    HD2  PHE 112           HD2      PHE 112  26.108  19.741 -13.875
  819    HE1  PHE 112           HE1      PHE 112  22.746  19.203 -10.251
  820    HE2  PHE 112           HE2      PHE 112  26.499  20.767 -11.660
  821    HZ   PHE 112           HZ       PHE 112  24.874  20.439  -9.849
  822    H    ARG 113           H        ARG 113  24.197  16.939 -17.297
  823    HA   ARG 113           HA       ARG 113  21.872  15.416 -17.685
  824    HB2  ARG 113           HB2      ARG 113  24.201  16.122 -19.512
  825    HB3  ARG 113           HB3      ARG 113  22.816  15.184 -20.102
  826    HG2  ARG 113           HG2      ARG 113  21.258  16.915 -19.635
  827    HG3  ARG 113           HG3      ARG 113  22.428  17.763 -18.610
  828    HD2  ARG 113           HD2      ARG 113  23.606  18.673 -20.259
  829    HD3  ARG 113           HD3      ARG 113  23.029  17.524 -21.513
  830    HE   ARG 113           HE       ARG 113  20.782  18.953 -20.568
  831   HH11  ARG 113          HH11      ARG 113  23.818  19.679 -22.300
  832   HH12  ARG 113          HH12      ARG 113  23.180  21.049 -23.127
  833   HH21  ARG 113          HH21      ARG 113  19.938  20.757 -21.676
  834   HH22  ARG 113          HH22      ARG 113  20.925  21.678 -22.772
  835    H    THR 114           H        THR 114  25.301  14.190 -17.699
  836    HA   THR 114           HA       THR 114  24.635  11.587 -18.541
  837    HB   THR 114           HB       THR 114  26.888  12.690 -16.793
  838    HG1  THR 114           HG1      THR 114  26.953  13.644 -18.744
  839   HG21  THR 114          HG21      THR 114  28.165  10.726 -17.580
  840   HG22  THR 114          HG22      THR 114  26.797  10.289 -16.541
  841   HG23  THR 114          HG23      THR 114  26.670  10.071 -18.306
  842    H    VAL 115           H        VAL 115  25.008  12.961 -15.195
  843    HA   VAL 115           HA       VAL 115  24.269  10.529 -13.916
  844    HB   VAL 115           HB       VAL 115  24.366  13.380 -13.013
  845   HG11  VAL 115          HG11      VAL 115  22.749  12.390 -11.519
  846   HG12  VAL 115          HG12      VAL 115  23.717  10.916 -11.353
  847   HG13  VAL 115          HG13      VAL 115  24.279  12.423 -10.643
  848   HG21  VAL 115          HG21      VAL 115  26.541  12.338 -13.528
  849   HG22  VAL 115          HG22      VAL 115  26.378  12.574 -11.790
  850   HG23  VAL 115          HG23      VAL 115  26.136  10.956 -12.485
  851    H    ARG 116           H        ARG 116  22.293  13.423 -14.853
  852    HA   ARG 116           HA       ARG 116  19.892  12.558 -13.694
  853    HB2  ARG 116           HB2      ARG 116  20.294  14.805 -14.855
  854    HB3  ARG 116           HB3      ARG 116  20.147  13.956 -16.400
  855    HG2  ARG 116           HG2      ARG 116  17.861  13.062 -15.213
  856    HG3  ARG 116           HG3      ARG 116  18.123  14.491 -14.241
  857    HD2  ARG 116           HD2      ARG 116  16.482  14.583 -16.154
  858    HD3  ARG 116           HD3      ARG 116  17.622  15.913 -16.081
  859    HE   ARG 116           HE       ARG 116  17.967  13.542 -17.895
  860   HH11  ARG 116          HH11      ARG 116  17.726  17.050 -17.555
  861   HH12  ARG 116          HH12      ARG 116  18.640  17.423 -18.983
  862   HH21  ARG 116          HH21      ARG 116  19.010  14.009 -19.924
  863   HH22  ARG 116          HH22      ARG 116  19.178  15.644 -20.441
  864    H    GLY 117           H        GLY 117  21.305  11.735 -16.901
  865    HA2  GLY 117           HA2      GLY 117  19.126  10.163 -17.785
  866    HA3  GLY 117           HA3      GLY 117  20.818  10.012 -18.346
  867    H    GLN 118           H        GLN 118  22.145   9.163 -15.996
  868    HA   GLN 118           HA       GLN 118  21.441   6.411 -15.929
  869    HB2  GLN 118           HB2      GLN 118  23.216   8.106 -14.124
  870    HB3  GLN 118           HB3      GLN 118  22.963   6.375 -13.909
  871    HG2  GLN 118           HG2      GLN 118  23.745   6.113 -16.365
  872    HG3  GLN 118           HG3      GLN 118  24.308   7.783 -16.228
  873   HE21  GLN 118          HE22      GLN 118  26.551   7.707 -15.907
  874   HE22  GLN 118          HE21      GLN 118  27.355   6.610 -14.813
  875    H    VAL 119           H        VAL 119  21.147   8.886 -13.375
  876    HA   VAL 119           HA       VAL 119  19.674   7.557 -11.476
  877    HB   VAL 119           HB       VAL 119  19.470  10.476 -12.368
  878   HG11  VAL 119          HG11      VAL 119  18.382   9.183  -9.843
  879   HG12  VAL 119          HG12      VAL 119  18.520  10.935 -10.131
  880   HG13  VAL 119          HG13      VAL 119  17.435   9.954 -11.123
  881   HG21  VAL 119          HG21      VAL 119  21.698   9.588 -11.394
  882   HG22  VAL 119          HG22      VAL 119  20.949  10.914 -10.494
  883   HG23  VAL 119          HG23      VAL 119  20.800   9.249  -9.907
  884    H    LYS 120           H        LYS 120  18.187   9.298 -14.364
  885    HA   LYS 120           HA       LYS 120  15.578   8.623 -13.480
  886    HB2  LYS 120           HB2      LYS 120  16.067  10.428 -15.115
  887    HB3  LYS 120           HB3      LYS 120  16.583   9.217 -16.305
  888    HG2  LYS 120           HG2      LYS 120  14.284   8.223 -16.248
  889    HG3  LYS 120           HG3      LYS 120  13.804   9.465 -15.075
  890    HD2  LYS 120           HD2      LYS 120  13.002  10.318 -17.129
  891    HD3  LYS 120           HD3      LYS 120  14.484  11.217 -16.840
  892    HE2  LYS 120           HE2      LYS 120  14.587  10.591 -19.124
  893    HE3  LYS 120           HE3      LYS 120  15.688   9.478 -18.310
  894    HZ1  LYS 120           HZ1      LYS 120  13.840   7.803 -18.365
  895    HZ2  LYS 120           HZ2      LYS 120  12.924   8.874 -19.197
  896    HZ3  LYS 120           HZ3      LYS 120  14.292   8.299 -19.858
  897    H    GLU 121           H        GLU 121  17.781   6.989 -15.753
  898    HA   GLU 121           HA       GLU 121  16.005   4.943 -16.538
  899    HB2  GLU 121           HB2      GLU 121  17.840   4.806 -17.896
  900    HB3  GLU 121           HB3      GLU 121  18.854   5.623 -16.702
  901    HG2  GLU 121           HG2      GLU 121  19.533   3.739 -15.624
  902    HG3  GLU 121           HG3      GLU 121  18.354   2.683 -16.448
  903    H    ARG 122           H        ARG 122  18.244   5.237 -13.779
  904    HA   ARG 122           HA       ARG 122  17.881   2.510 -12.890
  905    HB2  ARG 122           HB2      ARG 122  18.964   4.984 -11.507
  906    HB3  ARG 122           HB3      ARG 122  18.986   3.350 -10.829
  907    HG2  ARG 122           HG2      ARG 122  20.558   2.526 -12.336
  908    HG3  ARG 122           HG3      ARG 122  20.367   3.876 -13.456
  909    HD2  ARG 122           HD2      ARG 122  21.258   5.438 -11.747
  910    HD3  ARG 122           HD3      ARG 122  21.475   4.100 -10.627
  911    HE   ARG 122           HE       ARG 122  23.073   4.726 -13.033
  912   HH11  ARG 122          HH11      ARG 122  22.536   2.386 -10.418
  913   HH12  ARG 122          HH12      ARG 122  24.125   1.719 -10.518
  914   HH21  ARG 122          HH21      ARG 122  25.187   3.990 -13.060
  915   HH22  ARG 122          HH22      ARG 122  25.685   2.663 -12.061
  916    H    VAL 123           H        VAL 123  16.380   5.662 -11.702
  917    HA   VAL 123           HA       VAL 123  14.561   4.573  -9.945
  918    HB   VAL 123           HB       VAL 123  14.287   6.876 -11.910
  919   HG11  VAL 123          HG11      VAL 123  12.483   7.685 -10.488
  920   HG12  VAL 123          HG12      VAL 123  12.026   6.173 -11.257
  921   HG13  VAL 123          HG13      VAL 123  12.497   6.170  -9.545
  922   HG21  VAL 123          HG21      VAL 123  14.812   6.869  -8.905
  923   HG22  VAL 123          HG22      VAL 123  16.044   7.149 -10.140
  924   HG23  VAL 123          HG23      VAL 123  14.716   8.286  -9.964
  925    H    GLU 124           H        GLU 124  14.146   4.863 -13.581
  926    HA   GLU 124           HA       GLU 124  11.610   3.623 -13.615
  927    HB2  GLU 124           HB2      GLU 124  13.810   3.683 -15.734
  928    HB3  GLU 124           HB3      GLU 124  12.208   3.011 -16.016
  929    HG2  GLU 124           HG2      GLU 124  11.173   5.196 -15.567
  930    HG3  GLU 124           HG3      GLU 124  12.761   5.897 -15.251
  931    H    ASN 125           H        ASN 125  14.852   2.220 -13.687
  932    HA   ASN 125           HA       ASN 125  14.102  -0.463 -14.194
  933    HB2  ASN 125           HB2      ASN 125  16.467   0.757 -14.150
  934    HB3  ASN 125           HB3      ASN 125  16.505   0.216 -12.478
  935   HD21  ASN 125          HD22      ASN 125  16.915  -0.635 -15.778
  936   HD22  ASN 125          HD21      ASN 125  17.192  -2.348 -15.559
  937    H    LEU 126           H        LEU 126  14.633   1.322 -11.162
  938    HA   LEU 126           HA       LEU 126  14.067  -0.850  -9.436
  939    HB2  LEU 126           HB2      LEU 126  14.765   0.454  -7.812
  940    HB3  LEU 126           HB3      LEU 126  15.167   1.602  -9.062
  941    HG   LEU 126           HG       LEU 126  12.760   2.496  -8.731
  942   HD11  LEU 126          HD11      LEU 126  12.107   0.544  -7.142
  943   HD12  LEU 126          HD12      LEU 126  13.165   1.277  -5.956
  944   HD13  LEU 126          HD13      LEU 126  11.753   2.177  -6.549
  945   HD21  LEU 126          HD21      LEU 126  14.682   2.928  -6.440
  946   HD22  LEU 126          HD22      LEU 126  14.899   3.638  -8.044
  947   HD23  LEU 126          HD23      LEU 126  13.463   4.041  -7.096
  948    H    ILE 127           H        ILE 127  11.933   1.750 -10.621
  949    HA   ILE 127           HA       ILE 127   9.531   0.882  -9.397
  950    HB   ILE 127           HB       ILE 127  10.221   2.355 -11.968
  951   HG12  ILE 127          HG12      ILE 127   8.873   3.369  -9.423
  952   HG13  ILE 127          HG13      ILE 127  10.613   3.442  -9.680
  953   HG21  ILE 127          HG21      ILE 127   7.783   3.027 -12.088
  954   HG22  ILE 127          HG22      ILE 127   8.137   1.365 -12.491
  955   HG23  ILE 127          HG23      ILE 127   7.447   1.740 -10.895
  956   HD11  ILE 127          HD11      ILE 127   8.494   4.928 -11.288
  957   HD12  ILE 127          HD12      ILE 127   9.742   5.596 -10.238
  958   HD13  ILE 127          HD13      ILE 127  10.197   4.817 -11.766
  959    H    ALA 128           H        ALA 128  11.124  -0.301 -12.405
  960    HA   ALA 128           HA       ALA 128   8.867  -1.658 -13.405
  961    HB1  ALA 128           HB1      ALA 128  11.795  -2.443 -13.754
  962    HB2  ALA 128           HB2      ALA 128  10.441  -2.938 -14.785
  963    HB3  ALA 128           HB3      ALA 128  10.921  -1.232 -14.724
  964    H    LYS 129           H        LYS 129  11.131  -2.597 -10.924
  965    HA   LYS 129           HA       LYS 129  10.544  -5.372 -10.743
  966    HB2  LYS 129           HB2      LYS 129  11.726  -3.387  -8.809
  967    HB3  LYS 129           HB3      LYS 129  11.781  -5.143  -8.583
  968    HG2  LYS 129           HG2      LYS 129  13.125  -5.427 -10.602
  969    HG3  LYS 129           HG3      LYS 129  12.942  -3.723 -11.022
  970    HD2  LYS 129           HD2      LYS 129  14.017  -3.278  -8.672
  971    HD3  LYS 129           HD3      LYS 129  14.602  -4.942  -8.829
  972    HE2  LYS 129           HE2      LYS 129  15.062  -2.591 -10.730
  973    HE3  LYS 129           HE3      LYS 129  16.265  -3.267  -9.634
  974    HZ1  LYS 129           HZ1      LYS 129  16.437  -3.937 -11.994
  975    HZ2  LYS 129           HZ2      LYS 129  16.361  -5.228 -10.971
  976    HZ3  LYS 129           HZ3      LYS 129  15.061  -4.786 -11.874
  977    H    ILE 130           H        ILE 130   8.872  -2.533  -9.485
  978    HA   ILE 130           HA       ILE 130   7.316  -4.121  -7.604
  979    HB   ILE 130           HB       ILE 130   7.186  -1.810  -6.491
  980   HG12  ILE 130          HG12      ILE 130   9.396  -1.165  -8.378
  981   HG13  ILE 130          HG13      ILE 130   7.897  -0.288  -8.074
  982   HG21  ILE 130          HG21      ILE 130   9.255  -2.347  -5.234
  983   HG22  ILE 130          HG22      ILE 130   8.564  -3.868  -5.779
  984   HG23  ILE 130          HG23      ILE 130   9.923  -3.154  -6.682
  985   HD11  ILE 130          HD11      ILE 130  10.330  -0.571  -6.266
  986   HD12  ILE 130          HD12      ILE 130   9.755   0.885  -7.080
  987   HD13  ILE 130          HD13      ILE 130   8.806   0.170  -5.740
  988    H    SER 131           H        SER 131   7.092  -1.961 -10.224
  989    HA   SER 131           HA       SER 131   4.576  -0.907 -10.290
  990    HB2  SER 131           HB2      SER 131   5.979  -2.434 -12.518
  991    HB3  SER 131           HB3      SER 131   4.574  -1.376 -12.739
  992    HG   SER 131           HG       SER 131   7.114  -0.624 -11.679
  Start of MODEL   15
    1    H    MET   1           H        MET   1   0.514   0.045  -1.561
    2    HA   MET   1           HA       MET   1   1.982   1.315  -3.761
    3    HB2  MET   1           HB2      MET   1   0.496   2.935  -2.775
    4    HB3  MET   1           HB3      MET   1   0.981   2.501  -1.134
    5    HG2  MET   1           HG2      MET   1   3.126   3.482  -1.374
    6    HG3  MET   1           HG3      MET   1   2.991   3.595  -3.121
    7    HE1  MET   1           HE1      MET   1   0.361   4.958  -3.942
    8    HE2  MET   1           HE2      MET   1   0.819   6.668  -3.826
    9    HE3  MET   1           HE3      MET   1   1.975   5.485  -4.470
   10    H    LYS   2           H        LYS   2   4.186   1.683  -3.423
   11    HA   LYS   2           HA       LYS   2   5.479   0.320  -1.070
   12    HB2  LYS   2           HB2      LYS   2   6.334   0.464  -4.007
   13    HB3  LYS   2           HB3      LYS   2   7.368  -0.103  -2.704
   14    HG2  LYS   2           HG2      LYS   2   4.751  -1.405  -3.626
   15    HG3  LYS   2           HG3      LYS   2   6.391  -1.961  -3.950
   16    HD2  LYS   2           HD2      LYS   2   6.663  -1.948  -1.376
   17    HD3  LYS   2           HD3      LYS   2   4.898  -1.984  -1.323
   18    HE2  LYS   2           HE2      LYS   2   4.876  -4.096  -2.564
   19    HE3  LYS   2           HE3      LYS   2   6.618  -3.974  -2.865
   20    HZ1  LYS   2           HZ1      LYS   2   6.979  -4.130  -0.457
   21    HZ2  LYS   2           HZ2      LYS   2   5.371  -4.369  -0.213
   22    HZ3  LYS   2           HZ3      LYS   2   6.233  -5.470  -1.052
   23    H    LYS   3           H        LYS   3   6.899   1.609   0.049
   24    HA   LYS   3           HA       LYS   3   7.122   4.409  -0.931
   25    HB2  LYS   3           HB2      LYS   3   7.187   3.093   1.773
   26    HB3  LYS   3           HB3      LYS   3   8.227   4.494   1.554
   27    HG2  LYS   3           HG2      LYS   3   6.454   5.876   0.702
   28    HG3  LYS   3           HG3      LYS   3   5.290   4.534   0.738
   29    HD2  LYS   3           HD2      LYS   3   5.365   4.467   3.164
   30    HD3  LYS   3           HD3      LYS   3   6.724   5.621   3.191
   31    HE2  LYS   3           HE2      LYS   3   5.315   7.360   2.218
   32    HE3  LYS   3           HE3      LYS   3   3.937   6.246   2.131
   33    HZ1  LYS   3           HZ1      LYS   3   5.305   6.959   4.661
   34    HZ2  LYS   3           HZ2      LYS   3   3.946   7.733   4.120
   35    HZ3  LYS   3           HZ3      LYS   3   3.904   6.143   4.513
   36    H    VAL   4           H        VAL   4   9.008   5.289  -1.616
   37    HA   VAL   4           HA       VAL   4  11.385   3.513  -1.470
   38    HB   VAL   4           HB       VAL   4  10.308   3.618  -3.619
   39   HG11  VAL   4          HG11      VAL   4   9.266   5.794  -3.708
   40   HG12  VAL   4          HG12      VAL   4  10.865   6.581  -3.680
   41   HG13  VAL   4          HG13      VAL   4  10.385   5.600  -5.067
   42   HG21  VAL   4          HG21      VAL   4  12.938   5.181  -3.757
   43   HG22  VAL   4          HG22      VAL   4  12.860   3.449  -3.419
   44   HG23  VAL   4          HG23      VAL   4  12.274   4.071  -4.965
   45    H    MET   5           H        MET   5  13.254   4.334  -0.984
   46    HA   MET   5           HA       MET   5  13.424   7.211  -0.196
   47    HB2  MET   5           HB2      MET   5  13.350   5.868   1.760
   48    HB3  MET   5           HB3      MET   5  14.429   4.663   1.066
   49    HG2  MET   5           HG2      MET   5  15.615   5.983   2.704
   50    HG3  MET   5           HG3      MET   5  16.274   6.153   1.102
   51    HE1  MET   5           HE1      MET   5  13.709   9.589   2.949
   52    HE2  MET   5           HE2      MET   5  13.030   8.032   2.443
   53    HE3  MET   5           HE3      MET   5  14.076   8.132   3.883
   54    H    PHE   6           H        PHE   6  15.240   8.361  -0.898
   55    HA   PHE   6           HA       PHE   6  17.345   6.852  -2.360
   56    HB2  PHE   6           HB2      PHE   6  16.371   9.604  -3.038
   57    HB3  PHE   6           HB3      PHE   6  17.749   8.740  -3.750
   58    HD1  PHE   6           HD2      PHE   6  17.421   6.825  -5.256
   59    HD2  PHE   6           HD1      PHE   6  14.063   8.956  -3.570
   60    HE1  PHE   6           HE2      PHE   6  15.909   5.757  -6.940
   61    HE2  PHE   6           HE1      PHE   6  12.571   7.781  -5.222
   62    HZ   PHE   6           HZ       PHE   6  13.490   6.271  -6.899
   63    H    VAL   7           H        VAL   7  19.193   6.925  -0.964
   64    HA   VAL   7           HA       VAL   7  19.461   9.250   0.887
   65    HB   VAL   7           HB       VAL   7  20.690   6.482   1.237
   66   HG11  VAL   7          HG11      VAL   7  21.790   8.354   2.456
   67   HG12  VAL   7          HG12      VAL   7  20.228   8.755   3.218
   68   HG13  VAL   7          HG13      VAL   7  21.030   7.202   3.541
   69   HG21  VAL   7          HG21      VAL   7  18.076   7.489   2.376
   70   HG22  VAL   7          HG22      VAL   7  18.365   6.064   1.326
   71   HG23  VAL   7          HG23      VAL   7  18.962   6.075   2.980
   72    H    CYS   8           H        CYS   8  21.120  10.627   0.244
   73    HA   CYS   8           HA       CYS   8  23.451   9.364  -1.162
   74    HB2  CYS   8           HB2      CYS   8  22.243  10.946  -2.592
   75    HB3  CYS   8           HB3      CYS   8  22.319  12.193  -1.342
   76    HG   CYS   8           HG       CYS   8  24.033  13.198  -2.630
   77    H    LYS   9           H        LYS   9  25.519  10.412  -0.816
   78    HA   LYS   9           HA       LYS   9  26.232  10.612   1.954
   79    HB2  LYS   9           HB2      LYS   9  27.557  10.409  -0.546
   80    HB3  LYS   9           HB3      LYS   9  28.067  11.973   0.084
   81    HG2  LYS   9           HG2      LYS   9  28.832  10.879   2.171
   82    HG3  LYS   9           HG3      LYS   9  28.230   9.312   1.577
   83    HD2  LYS   9           HD2      LYS   9  29.775   9.396  -0.331
   84    HD3  LYS   9           HD3      LYS   9  30.361  10.994   0.190
   85    HE2  LYS   9           HE2      LYS   9  31.086   9.953   2.371
   86    HE3  LYS   9           HE3      LYS   9  30.631   8.370   1.726
   87    HZ1  LYS   9           HZ1      LYS   9  32.295   8.713  -0.039
   88    HZ2  LYS   9           HZ2      LYS   9  32.709  10.162   0.593
   89    HZ3  LYS   9           HZ3      LYS   9  32.993   8.802   1.436
   90    H    ARG  10           H        ARG  10  24.626  12.853  -0.094
   91    HA   ARG  10           HA       ARG  10  24.563  14.948   1.813
   92    HB2  ARG  10           HB2      ARG  10  25.348  16.690   0.179
   93    HB3  ARG  10           HB3      ARG  10  26.604  15.703   0.894
   94    HG2  ARG  10           HG2      ARG  10  26.764  14.369  -1.248
   95    HG3  ARG  10           HG3      ARG  10  25.598  15.458  -2.003
   96    HD2  ARG  10           HD2      ARG  10  27.051  17.368  -1.660
   97    HD3  ARG  10           HD3      ARG  10  28.137  16.433  -0.629
   98    HE   ARG  10           HE       ARG  10  27.700  15.854  -3.539
   99   HH11  ARG  10          HH11      ARG  10  30.012  16.168  -0.826
  100   HH12  ARG  10          HH12      ARG  10  31.368  15.720  -1.789
  101   HH21  ARG  10          HH21      ARG  10  29.403  15.370  -4.746
  102   HH22  ARG  10          HH22      ARG  10  31.034  15.229  -4.117
  103    H    ASN  11           H        ASN  11  22.439  15.088   1.713
  104    HA   ASN  11           HA       ASN  11  20.718  14.207  -0.361
  105    HB2  ASN  11           HB2      ASN  11  20.076  14.407   2.028
  106    HB3  ASN  11           HB3      ASN  11  20.039  16.158   1.853
  107   HD21  ASN  11          HD22      ASN  11  18.733  13.437  -0.245
  108   HD22  ASN  11          HD21      ASN  11  17.156  14.207  -0.417
  109    H    SER  12           H        SER  12  22.557  16.056  -1.679
  110    HA   SER  12           HA       SER  12  20.872  18.429  -2.314
  111    HB2  SER  12           HB2      SER  12  23.186  19.404  -2.813
  112    HB3  SER  12           HB3      SER  12  22.742  19.125  -1.119
  113    HG   SER  12           HG       SER  12  24.888  18.402  -1.784
  114    H    CYS  13           H        CYS  13  22.502  15.654  -3.714
  115    HA   CYS  13           HA       CYS  13  22.123  16.812  -6.446
  116    HB2  CYS  13           HB2      CYS  13  24.534  15.262  -5.397
  117    HB3  CYS  13           HB3      CYS  13  24.284  15.814  -7.067
  118    HG   CYS  13           HG       CYS  13  26.068  17.203  -5.634
  119    H    ARG  14           H        ARG  14  23.463  13.587  -5.617
  120    HA   ARG  14           HA       ARG  14  22.144  12.404  -7.760
  121    HB2  ARG  14           HB2      ARG  14  23.252  11.116  -5.240
  122    HB3  ARG  14           HB3      ARG  14  22.618  10.173  -6.596
  123    HG2  ARG  14           HG2      ARG  14  24.213  11.051  -8.133
  124    HG3  ARG  14           HG3      ARG  14  24.775  12.268  -6.984
  125    HD2  ARG  14           HD2      ARG  14  25.056   9.279  -6.482
  126    HD3  ARG  14           HD3      ARG  14  26.282  10.265  -7.308
  127    HE   ARG  14           HE       ARG  14  25.655  11.581  -4.898
  128   HH11  ARG  14          HH11      ARG  14  27.737   8.975  -6.135
  129   HH12  ARG  14          HH12      ARG  14  28.467   8.695  -4.581
  130   HH21  ARG  14          HH21      ARG  14  26.804  11.361  -3.017
  131   HH22  ARG  14          HH22      ARG  14  28.056  10.137  -2.847
  132    H    SER  15           H        SER  15  21.158  12.447  -4.310
  133    HA   SER  15           HA       SER  15  18.919  10.699  -4.558
  134    HB2  SER  15           HB2      SER  15  18.491  11.652  -2.233
  135    HB3  SER  15           HB3      SER  15  20.065  10.958  -2.471
  136    HG   SER  15           HG       SER  15  19.440  13.735  -2.495
  137    H    GLN  16           H        GLN  16  19.294  14.226  -4.821
  138    HA   GLN  16           HA       GLN  16  16.528  14.905  -4.422
  139    HB2  GLN  16           HB2      GLN  16  18.982  16.299  -5.581
  140    HB3  GLN  16           HB3      GLN  16  17.421  17.080  -5.613
  141    HG2  GLN  16           HG2      GLN  16  18.711  16.018  -3.071
  142    HG3  GLN  16           HG3      GLN  16  18.876  17.672  -3.644
  143   HE21  GLN  16          HE22      GLN  16  17.899  17.355  -1.152
  144   HE22  GLN  16          HE21      GLN  16  16.244  17.928  -1.169
  145    H    MET  17           H        MET  17  18.575  14.471  -7.340
  146    HA   MET  17           HA       MET  17  16.452  14.956  -9.223
  147    HB2  MET  17           HB2      MET  17  19.117  13.509  -9.378
  148    HB3  MET  17           HB3      MET  17  18.005  13.626 -10.745
  149    HG2  MET  17           HG2      MET  17  17.977  16.128 -10.441
  150    HG3  MET  17           HG3      MET  17  19.332  15.955  -9.324
  151    HE1  MET  17           HE1      MET  17  22.229  14.808 -11.644
  152    HE2  MET  17           HE2      MET  17  21.770  15.467 -10.054
  153    HE3  MET  17           HE3      MET  17  21.230  13.839 -10.536
  154    H    ALA  18           H        ALA  18  17.797  11.923  -7.794
  155    HA   ALA  18           HA       ALA  18  16.201  10.122  -9.206
  156    HB1  ALA  18           HB1      ALA  18  16.957   9.839  -6.269
  157    HB2  ALA  18           HB2      ALA  18  16.681   8.559  -7.472
  158    HB3  ALA  18           HB3      ALA  18  18.113   9.593  -7.589
  159    H    GLU  19           H        GLU  19  15.439  11.959  -6.254
  160    HA   GLU  19           HA       GLU  19  12.908  10.678  -5.838
  161    HB2  GLU  19           HB2      GLU  19  13.661  11.702  -3.919
  162    HB3  GLU  19           HB3      GLU  19  14.166  13.194  -4.744
  163    HG2  GLU  19           HG2      GLU  19  11.912  13.951  -4.973
  164    HG3  GLU  19           HG3      GLU  19  11.249  12.388  -4.518
  165    H    GLY  20           H        GLY  20  13.792  13.719  -7.519
  166    HA2  GLY  20           HA2      GLY  20  11.109  14.525  -8.013
  167    HA3  GLY  20           HA3      GLY  20  12.547  15.060  -8.911
  168    H    PHE  21           H        PHE  21  13.384  12.459  -9.927
  169    HA   PHE  21           HA       PHE  21  11.578  12.117 -12.137
  170    HB2  PHE  21           HB2      PHE  21  13.636  10.108 -11.158
  171    HB3  PHE  21           HB3      PHE  21  12.897  10.172 -12.750
  172    HD1  PHE  21           HD2      PHE  21  13.199  13.066 -13.524
  173    HD2  PHE  21           HD1      PHE  21  15.914  10.337 -11.583
  174    HE1  PHE  21           HE2      PHE  21  15.085  14.567 -14.050
  175    HE2  PHE  21           HE1      PHE  21  17.818  11.772 -12.245
  176    HZ   PHE  21           HZ       PHE  21  17.402  13.941 -13.388
  177    H    ALA  22           H        ALA  22  12.165  10.193  -9.147
  178    HA   ALA  22           HA       ALA  22  10.457   8.070  -9.722
  179    HB1  ALA  22           HB1      ALA  22  12.126   8.073  -7.896
  180    HB2  ALA  22           HB2      ALA  22  11.140   9.253  -7.018
  181    HB3  ALA  22           HB3      ALA  22  10.520   7.611  -7.294
  182    H    LYS  23           H        LYS  23   9.500  11.142  -8.041
  183    HA   LYS  23           HA       LYS  23   6.837  10.096  -7.754
  184    HB2  LYS  23           HB2      LYS  23   6.077  12.391  -7.308
  185    HB3  LYS  23           HB3      LYS  23   7.351  11.807  -6.277
  186    HG2  LYS  23           HG2      LYS  23   8.975  13.147  -7.843
  187    HG3  LYS  23           HG3      LYS  23   7.504  13.882  -8.493
  188    HD2  LYS  23           HD2      LYS  23   8.320  15.331  -6.743
  189    HD3  LYS  23           HD3      LYS  23   6.878  14.497  -6.089
  190    HE2  LYS  23           HE2      LYS  23   8.229  12.912  -4.909
  191    HE3  LYS  23           HE3      LYS  23   9.718  13.520  -5.671
  192    HZ1  LYS  23           HZ1      LYS  23   8.029  15.093  -3.795
  193    HZ2  LYS  23           HZ2      LYS  23   9.440  14.334  -3.397
  194    HZ3  LYS  23           HZ3      LYS  23   9.470  15.560  -4.464
  195    H    THR  24           H        THR  24   8.498  11.783 -10.457
  196    HA   THR  24           HA       THR  24   5.949  12.439 -11.617
  197    HB   THR  24           HB       THR  24   8.763  12.171 -12.885
  198    HG1  THR  24           HG1      THR  24   8.976  13.687 -11.301
  199   HG21  THR  24          HG21      THR  24   7.033  12.338 -14.558
  200   HG22  THR  24          HG22      THR  24   6.287  13.722 -13.723
  201   HG23  THR  24          HG23      THR  24   7.895  13.886 -14.483
  202    H    LEU  25           H        LEU  25   8.344   9.883 -11.972
  203    HA   LEU  25           HA       LEU  25   7.124   8.483 -14.136
  204    HB2  LEU  25           HB2      LEU  25   9.156   7.679 -12.020
  205    HB3  LEU  25           HB3      LEU  25   8.788   6.718 -13.450
  206    HG   LEU  25           HG       LEU  25   9.914   9.568 -13.572
  207   HD11  LEU  25          HD11      LEU  25  12.050   8.333 -14.132
  208   HD12  LEU  25          HD12      LEU  25  11.481   8.188 -12.461
  209   HD13  LEU  25          HD13      LEU  25  11.253   6.836 -13.582
  210   HD21  LEU  25          HD21      LEU  25  10.473   8.918 -15.904
  211   HD22  LEU  25          HD22      LEU  25   9.626   7.370 -15.677
  212   HD23  LEU  25          HD23      LEU  25   8.729   8.904 -15.623
  213    H    GLY  26           H        GLY  26   7.121   8.036 -10.620
  214    HA2  GLY  26           HA2      GLY  26   5.135   5.834 -10.941
  215    HA3  GLY  26           HA3      GLY  26   6.480   5.848  -9.807
  216    H    ALA  27           H        ALA  27   5.127   8.974  -9.487
  217    HA   ALA  27           HA       ALA  27   3.716   8.342  -7.116
  218    HB1  ALA  27           HB1      ALA  27   4.452  10.643  -7.535
  219    HB2  ALA  27           HB2      ALA  27   3.409  10.767  -8.969
  220    HB3  ALA  27           HB3      ALA  27   2.693  10.616  -7.346
  221    H    GLY  28           H        GLY  28   2.087   6.995  -6.990
  222    HA2  GLY  28           HA2      GLY  28  -0.421   6.841  -7.787
  223    HA3  GLY  28           HA3      GLY  28   0.358   6.473  -9.337
  224    H    LYS  29           H        LYS  29   2.667   5.061  -8.115
  225    HA   LYS  29           HA       LYS  29   1.361   2.729  -6.773
  226    HB2  LYS  29           HB2      LYS  29   2.812   1.197  -7.842
  227    HB3  LYS  29           HB3      LYS  29   1.962   2.107  -9.089
  228    HG2  LYS  29           HG2      LYS  29   4.721   3.034  -8.264
  229    HG3  LYS  29           HG3      LYS  29   4.617   1.546  -9.165
  230    HD2  LYS  29           HD2      LYS  29   3.359   4.150 -10.083
  231    HD3  LYS  29           HD3      LYS  29   5.031   3.680 -10.439
  232    HE2  LYS  29           HE2      LYS  29   4.288   1.584 -11.490
  233    HE3  LYS  29           HE3      LYS  29   2.598   2.002 -11.195
  234    HZ1  LYS  29           HZ1      LYS  29   4.445   3.524 -12.952
  235    HZ2  LYS  29           HZ2      LYS  29   3.253   2.537 -13.451
  236    HZ3  LYS  29           HZ3      LYS  29   2.877   3.916 -12.674
  237    H    ILE  30           H        ILE  30   4.001   5.016  -6.936
  238    HA   ILE  30           HA       ILE  30   4.921   3.956  -4.314
  239    HB   ILE  30           HB       ILE  30   7.176   4.817  -4.876
  240   HG12  ILE  30          HG12      ILE  30   6.418   4.791  -7.805
  241   HG13  ILE  30          HG13      ILE  30   6.329   6.280  -6.857
  242   HG21  ILE  30          HG21      ILE  30   6.636   2.426  -5.024
  243   HG22  ILE  30          HG22      ILE  30   6.212   2.593  -6.730
  244   HG23  ILE  30          HG23      ILE  30   7.874   2.899  -6.186
  245   HD11  ILE  30          HD11      ILE  30   8.446   6.092  -8.099
  246   HD12  ILE  30          HD12      ILE  30   8.667   6.223  -6.350
  247   HD13  ILE  30          HD13      ILE  30   8.887   4.648  -7.190
  248    H    ALA  31           H        ALA  31   5.729   5.396  -2.838
  249    HA   ALA  31           HA       ALA  31   5.274   8.306  -3.316
  250    HB1  ALA  31           HB1      ALA  31   4.915   8.381  -0.805
  251    HB2  ALA  31           HB2      ALA  31   3.622   7.559  -1.698
  252    HB3  ALA  31           HB3      ALA  31   4.837   6.605  -0.813
  253    H    VAL  32           H        VAL  32   7.167   9.426  -3.062
  254    HA   VAL  32           HA       VAL  32   9.548   7.883  -2.241
  255    HB   VAL  32           HB       VAL  32   9.408   8.323  -4.550
  256   HG11  VAL  32          HG11      VAL  32   9.338  10.601  -5.550
  257   HG12  VAL  32          HG12      VAL  32   7.822  10.016  -4.884
  258   HG13  VAL  32          HG13      VAL  32   8.796  11.204  -3.966
  259   HG21  VAL  32          HG21      VAL  32  11.631   8.718  -3.410
  260   HG22  VAL  32          HG22      VAL  32  11.425   9.589  -4.944
  261   HG23  VAL  32          HG23      VAL  32  11.279  10.452  -3.421
  262    H    THR  33           H        THR  33  11.211   8.877  -1.027
  263    HA   THR  33           HA       THR  33  11.043  11.733  -0.497
  264    HB   THR  33           HB       THR  33  11.574   9.776   1.770
  265    HG1  THR  33           HG1      THR  33   9.111  10.734   0.885
  266   HG21  THR  33          HG21      THR  33  10.769  12.715   1.794
  267   HG22  THR  33          HG22      THR  33  11.085  11.696   3.220
  268   HG23  THR  33          HG23      THR  33  12.395  12.070   2.097
  269    H    SER  34           H        SER  34  13.230  12.533  -0.729
  270    HA   SER  34           HA       SER  34  15.385  10.496  -0.683
  271    HB2  SER  34           HB2      SER  34  16.768  12.228  -1.608
  272    HB3  SER  34           HB3      SER  34  15.372  11.958  -2.643
  273    HG   SER  34           HG       SER  34  14.460  13.836  -1.838
  274    H    CYS  35           H        CYS  35  17.341  11.087   0.513
  275    HA   CYS  35           HA       CYS  35  17.177  13.003   2.655
  276    HB2  CYS  35           HB2      CYS  35  16.893  10.016   3.113
  277    HB3  CYS  35           HB3      CYS  35  17.778  10.983   4.295
  278    HG   CYS  35           HG       CYS  35  14.851  11.891   3.165
  279    H    GLY  36           H        GLY  36  19.418  12.185   4.038
  280    HA2  GLY  36           HA2      GLY  36  21.271  10.827   2.328
  281    HA3  GLY  36           HA3      GLY  36  21.678  12.549   2.512
  282    H    LEU  37           H        LEU  37  23.354  10.563   3.383
  283    HA   LEU  37           HA       LEU  37  23.240   9.954   6.158
  284    HB2  LEU  37           HB2      LEU  37  25.564  10.583   4.302
  285    HB3  LEU  37           HB3      LEU  37  25.819  10.181   5.993
  286    HG   LEU  37           HG       LEU  37  24.392   8.339   4.027
  287   HD11  LEU  37          HD11      LEU  37  26.757   8.643   3.412
  288   HD12  LEU  37          HD12      LEU  37  27.258   8.247   5.071
  289   HD13  LEU  37          HD13      LEU  37  26.474   7.021   4.049
  290   HD21  LEU  37          HD21      LEU  37  25.390   7.928   6.888
  291   HD22  LEU  37          HD22      LEU  37  23.709   7.835   6.316
  292   HD23  LEU  37          HD23      LEU  37  24.879   6.615   5.815
  293    H    GLU  38           H        GLU  38  23.823  12.987   4.497
  294    HA   GLU  38           HA       GLU  38  23.352  14.421   6.991
  295    HB2  GLU  38           HB2      GLU  38  25.689  15.010   5.091
  296    HB3  GLU  38           HB3      GLU  38  25.108  16.138   6.303
  297    HG2  GLU  38           HG2      GLU  38  26.372  13.419   6.841
  298    HG3  GLU  38           HG3      GLU  38  27.150  14.983   7.007
  299    H    SER  39           H        SER  39  22.236  16.396   6.496
  300    HA   SER  39           HA       SER  39  20.978  16.604   3.886
  301    HB2  SER  39           HB2      SER  39  20.224  18.842   5.072
  302    HB3  SER  39           HB3      SER  39  19.559  17.285   5.571
  303    HG   SER  39           HG       SER  39  20.269  18.637   7.333
  304    H    SER  40           H        SER  40  21.268  18.459   2.465
  305    HA   SER  40           HA       SER  40  23.189  20.524   2.982
  306    HB2  SER  40           HB2      SER  40  23.730  18.462   0.789
  307    HB3  SER  40           HB3      SER  40  24.474  20.076   0.848
  308    HG   SER  40           HG       SER  40  24.624  18.552   3.163
  309    H    ARG  41           H        ARG  41  22.706  22.282   1.486
  310    HA   ARG  41           HA       ARG  41  19.996  22.345   0.663
  311    HB2  ARG  41           HB2      ARG  41  20.485  24.526  -0.282
  312    HB3  ARG  41           HB3      ARG  41  21.256  24.364   1.294
  313    HG2  ARG  41           HG2      ARG  41  23.445  23.911   0.153
  314    HG3  ARG  41           HG3      ARG  41  22.647  24.128  -1.419
  315    HD2  ARG  41           HD2      ARG  41  22.025  26.436  -0.790
  316    HD3  ARG  41           HD3      ARG  41  22.839  26.229   0.776
  317    HE   ARG  41           HE       ARG  41  24.711  25.585  -1.219
  318   HH11  ARG  41          HH11      ARG  41  22.924  28.463  -0.157
  319   HH12  ARG  41          HH12      ARG  41  24.121  29.581  -0.693
  320   HH21  ARG  41          HH21      ARG  41  26.310  27.074  -1.936
  321   HH22  ARG  41          HH22      ARG  41  26.090  28.768  -1.725
  322    H    VAL  42           H        VAL  42  19.090  22.476  -1.467
  323    HA   VAL  42           HA       VAL  42  20.034  20.376  -3.162
  324    HB   VAL  42           HB       VAL  42  18.019  22.546  -3.886
  325   HG11  VAL  42          HG11      VAL  42  18.835  21.188  -5.798
  326   HG12  VAL  42          HG12      VAL  42  18.462  19.699  -4.920
  327   HG13  VAL  42          HG13      VAL  42  17.152  20.794  -5.414
  328   HG21  VAL  42          HG21      VAL  42  16.303  20.842  -3.145
  329   HG22  VAL  42          HG22      VAL  42  17.629  19.910  -2.413
  330   HG23  VAL  42          HG23      VAL  42  17.246  21.520  -1.810
  331    H    HIS  43           H        HIS  43  21.448  20.434  -4.847
  332    HA   HIS  43           HA       HIS  43  23.046  22.785  -5.240
  333    HB2  HIS  43           HB2      HIS  43  23.678  20.300  -5.306
  334    HB3  HIS  43           HB3      HIS  43  22.927  20.235  -6.900
  335    HD1  HIS  43           HD1      HIS  43  24.477  21.129  -8.862
  336    HD2  HIS  43           HD2      HIS  43  25.870  21.955  -4.987
  337    HE1  HIS  43           HE1      HIS  43  26.829  22.076  -9.128
  338    HA   PRO  44           HA       PRO  44  20.281  24.647  -8.057
  339    HB2  PRO  44           HB2      PRO  44  21.792  26.440  -9.470
  340    HB3  PRO  44           HB3      PRO  44  21.488  26.591  -7.713
  341    HG2  PRO  44           HG2      PRO  44  23.937  25.479  -9.096
  342    HG3  PRO  44           HG3      PRO  44  23.857  26.591  -7.697
  343    HD2  PRO  44           HD2      PRO  44  24.224  23.850  -7.512
  344    HD3  PRO  44           HD3      PRO  44  23.460  24.827  -6.210
  345    H    THR  45           H        THR  45  23.196  23.480  -9.842
  346    HA   THR  45           HA       THR  45  21.891  23.395 -12.309
  347    HB   THR  45           HB       THR  45  24.147  21.663 -11.267
  348    HG1  THR  45           HG1      THR  45  25.513  23.390 -11.774
  349   HG21  THR  45          HG21      THR  45  25.135  21.859 -13.525
  350   HG22  THR  45          HG22      THR  45  23.567  21.058 -13.571
  351   HG23  THR  45          HG23      THR  45  23.695  22.761 -14.076
  352    H    ALA  46           H        ALA  46  21.411  21.321  -9.591
  353    HA   ALA  46           HA       ALA  46  20.546  18.914 -10.893
  354    HB1  ALA  46           HB1      ALA  46  20.925  19.402  -8.365
  355    HB2  ALA  46           HB2      ALA  46  19.277  20.159  -8.421
  356    HB3  ALA  46           HB3      ALA  46  19.485  18.447  -8.812
  357    H    ILE  47           H        ILE  47  18.975  22.109 -10.149
  358    HA   ILE  47           HA       ILE  47  16.399  21.221 -10.787
  359    HB   ILE  47           HB       ILE  47  17.671  23.999 -10.696
  360   HG12  ILE  47          HG12      ILE  47  15.862  23.912  -8.686
  361   HG13  ILE  47          HG13      ILE  47  16.226  22.195  -8.747
  362   HG21  ILE  47          HG21      ILE  47  14.778  23.213 -11.100
  363   HG22  ILE  47          HG22      ILE  47  15.338  24.847 -10.654
  364   HG23  ILE  47          HG23      ILE  47  15.821  24.145 -12.198
  365   HD11  ILE  47          HD11      ILE  47  18.663  22.805  -8.465
  366   HD12  ILE  47          HD12      ILE  47  18.162  24.500  -8.325
  367   HD13  ILE  47          HD13      ILE  47  17.642  23.316  -7.104
  368    H    ALA  48           H        ALA  48  19.065  22.668 -12.696
  369    HA   ALA  48           HA       ALA  48  17.615  23.094 -15.034
  370    HB1  ALA  48           HB1      ALA  48  19.848  24.077 -14.592
  371    HB2  ALA  48           HB2      ALA  48  20.585  22.462 -14.765
  372    HB3  ALA  48           HB3      ALA  48  19.801  23.235 -16.155
  373    H    MET  49           H        MET  49  19.273  20.165 -13.911
  374    HA   MET  49           HA       MET  49  18.968  18.624 -16.320
  375    HB2  MET  49           HB2      MET  49  19.240  17.914 -13.372
  376    HB3  MET  49           HB3      MET  49  18.961  16.665 -14.579
  377    HG2  MET  49           HG2      MET  49  21.273  18.600 -14.528
  378    HG3  MET  49           HG3      MET  49  21.297  16.874 -14.133
  379    HE1  MET  49           HE1      MET  49  21.769  19.561 -16.555
  380    HE2  MET  49           HE2      MET  49  23.170  18.491 -16.892
  381    HE3  MET  49           HE3      MET  49  21.977  18.791 -18.143
  382    H    MET  50           H        MET  50  16.896  19.052 -13.470
  383    HA   MET  50           HA       MET  50  14.925  17.172 -14.446
  384    HB2  MET  50           HB2      MET  50  14.925  19.194 -12.163
  385    HB3  MET  50           HB3      MET  50  13.622  18.047 -12.501
  386    HG2  MET  50           HG2      MET  50  15.803  16.362 -12.668
  387    HG3  MET  50           HG3      MET  50  16.429  17.531 -11.555
  388    HE1  MET  50           HE1      MET  50  13.419  14.401 -11.482
  389    HE2  MET  50           HE2      MET  50  12.357  15.797 -11.207
  390    HE3  MET  50           HE3      MET  50  13.423  15.740 -12.638
  391    H    GLU  51           H        GLU  51  15.391  20.700 -14.683
  392    HA   GLU  51           HA       GLU  51  12.961  21.256 -16.037
  393    HB2  GLU  51           HB2      GLU  51  15.719  22.480 -15.990
  394    HB3  GLU  51           HB3      GLU  51  14.500  23.084 -17.117
  395    HG2  GLU  51           HG2      GLU  51  12.939  23.436 -15.181
  396    HG3  GLU  51           HG3      GLU  51  14.247  23.014 -14.079
  397    H    GLU  52           H        GLU  52  15.945  19.674 -17.191
  398    HA   GLU  52           HA       GLU  52  15.228  19.823 -19.949
  399    HB2  GLU  52           HB2      GLU  52  16.863  17.566 -18.735
  400    HB3  GLU  52           HB3      GLU  52  16.787  18.078 -20.411
  401    HG2  GLU  52           HG2      GLU  52  17.605  20.423 -19.339
  402    HG3  GLU  52           HG3      GLU  52  18.238  19.317 -18.120
  403    H    VAL  53           H        VAL  53  14.366  17.614 -17.310
  404    HA   VAL  53           HA       VAL  53  12.875  15.830 -19.121
  405    HB   VAL  53           HB       VAL  53  12.811  15.959 -16.085
  406   HG11  VAL  53          HG11      VAL  53  12.094  13.714 -18.035
  407   HG12  VAL  53          HG12      VAL  53  12.158  13.554 -16.267
  408   HG13  VAL  53          HG13      VAL  53  10.956  14.609 -17.005
  409   HG21  VAL  53          HG21      VAL  53  14.630  14.414 -17.976
  410   HG22  VAL  53          HG22      VAL  53  15.103  15.593 -16.728
  411   HG23  VAL  53          HG23      VAL  53  14.442  14.025 -16.255
  412    H    GLY  54           H        GLY  54  12.201  18.735 -17.268
  413    HA2  GLY  54           HA2      GLY  54  10.308  20.130 -17.772
  414    HA3  GLY  54           HA3      GLY  54   9.335  18.699 -18.137
  415    H    ILE  55           H        ILE  55  11.536  18.942 -15.367
  416    HA   ILE  55           HA       ILE  55   9.266  19.157 -13.447
  417    HB   ILE  55           HB       ILE  55  11.632  17.298 -13.136
  418   HG12  ILE  55          HG12      ILE  55   8.883  16.143 -13.629
  419   HG13  ILE  55          HG13      ILE  55   9.855  16.590 -15.019
  420   HG21  ILE  55          HG21      ILE  55  10.004  16.198 -11.406
  421   HG22  ILE  55          HG22      ILE  55  10.769  17.700 -10.949
  422   HG23  ILE  55          HG23      ILE  55   9.080  17.696 -11.526
  423   HD11  ILE  55          HD11      ILE  55  10.779  14.668 -12.876
  424   HD12  ILE  55          HD12      ILE  55  10.284  14.290 -14.538
  425   HD13  ILE  55          HD13      ILE  55  11.735  15.271 -14.249
  426    H    ASP  56           H        ASP  56  10.642  19.477 -11.108
  427    HA   ASP  56           HA       ASP  56  12.836  21.426 -11.400
  428    HB2  ASP  56           HB2      ASP  56  10.973  22.927 -11.544
  429    HB3  ASP  56           HB3      ASP  56  10.042  21.987 -10.367
  430    H    ILE  57           H        ILE  57  13.820  21.780  -9.283
  431    HA   ILE  57           HA       ILE  57  12.896  20.022  -7.124
  432    HB   ILE  57           HB       ILE  57  15.807  20.311  -7.249
  433   HG12  ILE  57          HG12      ILE  57  14.498  18.401  -9.180
  434   HG13  ILE  57          HG13      ILE  57  15.546  19.753  -9.593
  435   HG21  ILE  57          HG21      ILE  57  15.625  18.019  -6.273
  436   HG22  ILE  57          HG22      ILE  57  14.511  19.084  -5.479
  437   HG23  ILE  57          HG23      ILE  57  13.922  17.961  -6.748
  438   HD11  ILE  57          HD11      ILE  57  17.063  17.988  -9.616
  439   HD12  ILE  57          HD12      ILE  57  17.279  18.636  -7.985
  440   HD13  ILE  57          HD13      ILE  57  16.291  17.181  -8.231
  441    H    SER  58           H        SER  58  13.966  23.161  -8.015
  442    HA   SER  58           HA       SER  58  15.207  24.111  -5.743
  443    HB2  SER  58           HB2      SER  58  14.224  26.341  -6.313
  444    HB3  SER  58           HB3      SER  58  15.023  25.532  -7.650
  445    HG   SER  58           HG       SER  58  12.937  24.863  -8.407
  446    H    GLY  59           H        GLY  59  11.771  23.311  -6.008
  447    HA2  GLY  59           HA2      GLY  59  11.034  24.705  -3.549
  448    HA3  GLY  59           HA3      GLY  59  10.005  23.724  -4.593
  449    H    GLN  60           H        GLN  60  12.394  21.505  -4.183
  450    HA   GLN  60           HA       GLN  60  10.756  20.181  -2.209
  451    HB2  GLN  60           HB2      GLN  60  13.478  19.265  -3.286
  452    HB3  GLN  60           HB3      GLN  60  12.305  18.286  -2.418
  453    HG2  GLN  60           HG2      GLN  60  10.736  18.862  -4.477
  454    HG3  GLN  60           HG3      GLN  60  12.282  19.154  -5.288
  455   HE21  GLN  60          HE22      GLN  60  14.002  17.154  -4.292
  456   HE22  GLN  60          HE21      GLN  60  13.316  15.598  -4.668
  457    H    THR  61           H        THR  61  13.806  21.866  -2.055
  458    HA   THR  61           HA       THR  61  15.260  22.260  -0.401
  459    HB   THR  61           HB       THR  61  14.595  22.623   1.781
  460    HG1  THR  61           HG1      THR  61  12.574  20.728   1.303
  461   HG21  THR  61          HG21      THR  61  12.509  23.809   1.675
  462   HG22  THR  61          HG22      THR  61  13.393  24.029   0.148
  463   HG23  THR  61          HG23      THR  61  12.002  22.901   0.212
  464    H    SER  62           H        SER  62  15.613  20.874   2.015
  465    HA   SER  62           HA       SER  62  16.380  18.137   1.107
  466    HB2  SER  62           HB2      SER  62  18.370  20.123   2.256
  467    HB3  SER  62           HB3      SER  62  18.693  18.460   1.730
  468    HG   SER  62           HG       SER  62  19.333  19.776   0.177
  469    H    ASP  63           H        ASP  63  17.013  16.692   2.835
  470    HA   ASP  63           HA       ASP  63  16.227  17.457   5.581
  471    HB2  ASP  63           HB2      ASP  63  14.334  16.512   3.745
  472    HB3  ASP  63           HB3      ASP  63  14.848  15.036   4.541
  473    HA   PRO  64           HA       PRO  64  19.372  14.208   5.990
  474    HB2  PRO  64           HB2      PRO  64  19.612  14.038   8.691
  475    HB3  PRO  64           HB3      PRO  64  20.151  15.481   7.785
  476    HG2  PRO  64           HG2      PRO  64  17.533  15.080   9.267
  477    HG3  PRO  64           HG3      PRO  64  18.650  16.479   9.353
  478    HD2  PRO  64           HD2      PRO  64  16.427  16.442   7.742
  479    HD3  PRO  64           HD3      PRO  64  17.917  17.312   7.286
  480    H    ILE  65           H        ILE  65  19.501  12.006   6.450
  481    HA   ILE  65           HA       ILE  65  17.200  10.388   6.435
  482    HB   ILE  65           HB       ILE  65  19.420   9.699   5.745
  483   HG12  ILE  65          HG12      ILE  65  18.402   7.817   7.910
  484   HG13  ILE  65          HG13      ILE  65  17.515   8.126   6.409
  485   HG21  ILE  65          HG21      ILE  65  21.171   8.996   7.266
  486   HG22  ILE  65          HG22      ILE  65  20.768  10.657   7.670
  487   HG23  ILE  65          HG23      ILE  65  20.167   9.332   8.685
  488   HD11  ILE  65          HD11      ILE  65  19.389   7.376   5.080
  489   HD12  ILE  65          HD12      ILE  65  20.345   7.015   6.546
  490   HD13  ILE  65          HD13      ILE  65  18.869   6.110   6.192
  491    H    GLU  66           H        GLU  66  18.994  11.692   9.161
  492    HA   GLU  66           HA       GLU  66  18.087  10.193  11.273
  493    HB2  GLU  66           HB2      GLU  66  18.575  13.200  11.339
  494    HB3  GLU  66           HB3      GLU  66  18.779  12.043  12.657
  495    HG2  GLU  66           HG2      GLU  66  20.606  10.942  11.203
  496    HG3  GLU  66           HG3      GLU  66  20.517  12.370  10.163
  497    H    ASN  67           H        ASN  67  16.212  12.522   9.431
  498    HA   ASN  67           HA       ASN  67  14.337  13.082  11.610
  499    HB2  ASN  67           HB2      ASN  67  15.131  14.788   9.937
  500    HB3  ASN  67           HB3      ASN  67  14.270  13.886   8.689
  501   HD21  ASN  67          HD22      ASN  67  12.931  15.656   8.224
  502   HD22  ASN  67          HD21      ASN  67  11.613  16.153   9.289
  503    H    PHE  68           H        PHE  68  14.610  10.474   9.346
  504    HA   PHE  68           HA       PHE  68  11.679   9.949   9.530
  505    HB2  PHE  68           HB2      PHE  68  13.673   9.348   7.319
  506    HB3  PHE  68           HB3      PHE  68  12.033   8.696   7.410
  507    HD1  PHE  68           HD1      PHE  68  14.010  11.807   6.897
  508    HD2  PHE  68           HD2      PHE  68  10.120   9.950   6.791
  509    HE1  PHE  68           HE1      PHE  68  13.079  13.811   5.781
  510    HE2  PHE  68           HE2      PHE  68   9.178  11.988   5.717
  511    HZ   PHE  68           HZ       PHE  68  10.658  13.928   5.216
  512    H    ASN  69           H        ASN  69  11.516   7.454   8.838
  513    HA   ASN  69           HA       ASN  69  13.287   5.804  10.541
  514    HB2  ASN  69           HB2      ASN  69  11.098   4.553  11.166
  515    HB3  ASN  69           HB3      ASN  69  11.556   6.002  12.056
  516   HD21  ASN  69          HD21      ASN  69   9.903   5.818   8.818
  517   HD22  ASN  69          HD22      ASN  69   8.461   6.652   9.374
  518    H    ALA  70           H        ALA  70  13.897   4.071   9.529
  519    HA   ALA  70           HA       ALA  70  13.449   3.572   6.819
  520    HB1  ALA  70           HB1      ALA  70  14.326   1.568   8.983
  521    HB2  ALA  70           HB2      ALA  70  14.667   1.457   7.246
  522    HB3  ALA  70           HB3      ALA  70  15.405   2.746   8.218
  523    H    ASP  71           H        ASP  71  11.629   2.351   9.574
  524    HA   ASP  71           HA       ASP  71  10.511   0.049   8.433
  525    HB2  ASP  71           HB2      ASP  71  10.458   0.593  10.829
  526    HB3  ASP  71           HB3      ASP  71   9.376   1.953  10.515
  527    H    ASP  72           H        ASP  72   9.801   3.383   7.686
  528    HA   ASP  72           HA       ASP  72   7.081   2.831   6.797
  529    HB2  ASP  72           HB2      ASP  72   7.683   4.914   7.987
  530    HB3  ASP  72           HB3      ASP  72   8.740   5.368   6.641
  531    H    TYR  73           H        TYR  73  10.275   2.555   5.469
  532    HA   TYR  73           HA       TYR  73   9.344   3.115   2.766
  533    HB2  TYR  73           HB2      TYR  73  12.100   3.159   4.005
  534    HB3  TYR  73           HB3      TYR  73  11.783   3.360   2.282
  535    HD1  TYR  73           HD2      TYR  73  10.491   5.327   1.440
  536    HD2  TYR  73           HD1      TYR  73  11.656   4.995   5.575
  537    HE1  TYR  73           HE2      TYR  73   9.950   7.705   1.772
  538    HE2  TYR  73           HE1      TYR  73  11.182   7.411   5.926
  539    HH   TYR  73           HH       TYR  73   9.884   9.458   3.234
  540    H    ASP  74           H        ASP  74   9.229   1.478   1.276
  541    HA   ASP  74           HA       ASP  74   9.686  -1.267   2.175
  542    HB2  ASP  74           HB2      ASP  74   7.762  -0.761   0.736
  543    HB3  ASP  74           HB3      ASP  74   8.826  -0.102  -0.500
  544    H    VAL  75           H        VAL  75  11.064   1.126  -0.088
  545    HA   VAL  75           HA       VAL  75  13.407  -0.666  -0.513
  546    HB   VAL  75           HB       VAL  75  12.147  -0.936  -2.369
  547   HG11  VAL  75          HG11      VAL  75  11.454   1.910  -2.708
  548   HG12  VAL  75          HG12      VAL  75  11.055   0.607  -3.824
  549   HG13  VAL  75          HG13      VAL  75  10.361   0.616  -2.203
  550   HG21  VAL  75          HG21      VAL  75  13.413  -0.116  -4.212
  551   HG22  VAL  75          HG22      VAL  75  13.880   1.352  -3.327
  552   HG23  VAL  75          HG23      VAL  75  14.538  -0.217  -2.851
  553    H    VAL  76           H        VAL  76  15.371   0.151  -0.337
  554    HA   VAL  76           HA       VAL  76  15.619   3.122  -0.003
  555    HB   VAL  76           HB       VAL  76  17.022   0.961   1.553
  556   HG11  VAL  76          HG11      VAL  76  18.422   3.014   1.156
  557   HG12  VAL  76          HG12      VAL  76  17.206   3.927   2.086
  558   HG13  VAL  76          HG13      VAL  76  18.119   2.574   2.818
  559   HG21  VAL  76          HG21      VAL  76  14.861   2.904   2.446
  560   HG22  VAL  76          HG22      VAL  76  14.720   1.139   2.327
  561   HG23  VAL  76          HG23      VAL  76  15.801   1.848   3.520
  562    H    ILE  77           H        ILE  77  16.618   3.900  -1.664
  563    HA   ILE  77           HA       ILE  77  18.784   2.402  -3.012
  564    HB   ILE  77           HB       ILE  77  17.094   4.803  -3.820
  565   HG12  ILE  77          HG12      ILE  77  15.738   2.856  -4.024
  566   HG13  ILE  77          HG13      ILE  77  16.297   3.286  -5.634
  567   HG21  ILE  77          HG21      ILE  77  18.215   4.605  -6.010
  568   HG22  ILE  77          HG22      ILE  77  19.321   5.078  -4.736
  569   HG23  ILE  77          HG23      ILE  77  19.342   3.408  -5.313
  570   HD11  ILE  77          HD11      ILE  77  17.423   1.028  -3.908
  571   HD12  ILE  77          HD12      ILE  77  16.372   0.859  -5.330
  572   HD13  ILE  77          HD13      ILE  77  18.020   1.492  -5.509
  573    H    SER  78           H        SER  78  20.580   2.739  -1.894
  574    HA   SER  78           HA       SER  78  21.214   5.405  -0.812
  575    HB2  SER  78           HB2      SER  78  22.056   3.202   0.156
  576    HB3  SER  78           HB3      SER  78  23.085   3.110  -1.302
  577    HG   SER  78           HG       SER  78  24.191   4.093   0.437
  578    H    LEU  79           H        LEU  79  22.911   6.571  -1.811
  579    HA   LEU  79           HA       LEU  79  24.105   5.831  -4.318
  580    HB2  LEU  79           HB2      LEU  79  23.167   8.388  -5.044
  581    HB3  LEU  79           HB3      LEU  79  22.832   6.851  -5.775
  582    HG   LEU  79           HG       LEU  79  20.800   6.729  -4.034
  583   HD11  LEU  79          HD11      LEU  79  21.269   9.704  -4.245
  584   HD12  LEU  79          HD12      LEU  79  20.036   8.832  -3.280
  585   HD13  LEU  79          HD13      LEU  79  21.757   8.749  -2.854
  586   HD21  LEU  79          HD21      LEU  79  19.390   8.015  -5.619
  587   HD22  LEU  79          HD22      LEU  79  20.847   8.611  -6.440
  588   HD23  LEU  79          HD23      LEU  79  20.466   6.877  -6.439
  589    H    CYS  80           H        CYS  80  25.301   5.790  -2.159
  590    HA   CYS  80           HA       CYS  80  26.435   8.444  -1.411
  591    HB2  CYS  80           HB2      CYS  80  26.869   5.648  -0.273
  592    HB3  CYS  80           HB3      CYS  80  27.684   7.130   0.277
  593    HG   CYS  80           HG       CYS  80  24.474   6.317   0.295
  594    H    GLY  81           H        GLY  81  27.236   5.309  -3.023
  595    HA2  GLY  81           HA2      GLY  81  28.698   5.088  -4.820
  596    HA3  GLY  81           HA3      GLY  81  29.378   6.697  -4.540
  597    H    CYS  82           H        CYS  82  31.321   5.068  -4.915
  598    HA   CYS  82           HA       CYS  82  32.752   3.402  -4.367
  599    HB2  CYS  82           HB2      CYS  82  32.869   5.517  -2.228
  600    HB3  CYS  82           HB3      CYS  82  34.169   4.312  -2.449
  601    HG   CYS  82           HG       CYS  82  34.678   4.898  -4.937
  602    H    GLY  83           H        GLY  83  30.153   2.604  -3.488
  603    HA2  GLY  83           HA2      GLY  83  29.104   1.039  -2.325
  604    HA3  GLY  83           HA3      GLY  83  30.688   0.293  -1.981
  605    H    VAL  84           H        VAL  84  29.919   3.563  -0.874
  606    HA   VAL  84           HA       VAL  84  30.102   2.919   1.911
  607    HB   VAL  84           HB       VAL  84  29.212   5.365   0.427
  608   HG11  VAL  84          HG11      VAL  84  29.434   6.600   2.572
  609   HG12  VAL  84          HG12      VAL  84  28.131   5.417   2.629
  610   HG13  VAL  84          HG13      VAL  84  29.684   5.059   3.419
  611   HG21  VAL  84          HG21      VAL  84  31.390   6.295   1.156
  612   HG22  VAL  84          HG22      VAL  84  31.786   4.751   1.938
  613   HG23  VAL  84          HG23      VAL  84  31.619   4.850   0.174
  614    H    ASN  85           H        ASN  85  28.393   2.712   3.335
  615    HA   ASN  85           HA       ASN  85  25.710   2.132   2.184
  616    HB2  ASN  85           HB2      ASN  85  27.505   0.143   2.465
  617    HB3  ASN  85           HB3      ASN  85  26.926   0.177   4.125
  618   HD21  ASN  85          HD22      ASN  85  26.494  -1.499   1.367
  619   HD22  ASN  85          HD21      ASN  85  24.774  -1.809   1.439
  620    H    LEU  86           H        LEU  86  24.353   1.298   4.276
  621    HA   LEU  86           HA       LEU  86  24.388   3.648   6.123
  622    HB2  LEU  86           HB2      LEU  86  22.030   1.978   5.191
  623    HB3  LEU  86           HB3      LEU  86  21.987   3.468   6.126
  624    HG   LEU  86           HG       LEU  86  22.831   3.158   3.206
  625   HD11  LEU  86          HD11      LEU  86  20.390   4.502   4.427
  626   HD12  LEU  86          HD12      LEU  86  20.784   4.363   2.696
  627   HD13  LEU  86          HD13      LEU  86  20.412   2.910   3.635
  628   HD21  LEU  86          HD21      LEU  86  24.111   5.002   4.204
  629   HD22  LEU  86          HD22      LEU  86  22.883   5.621   3.106
  630   HD23  LEU  86          HD23      LEU  86  22.617   5.707   4.866
  631    HA   PRO  87           HA       PRO  87  25.137   0.221   9.074
  632    HB2  PRO  87           HB2      PRO  87  24.902   2.590  10.923
  633    HB3  PRO  87           HB3      PRO  87  26.034   1.210  10.986
  634    HG2  PRO  87           HG2      PRO  87  26.841   3.615  10.010
  635    HG3  PRO  87           HG3      PRO  87  27.343   2.093   9.206
  636    HD2  PRO  87           HD2      PRO  87  25.146   4.005   8.400
  637    HD3  PRO  87           HD3      PRO  87  26.349   3.160   7.381
  638    HA   PRO  88           HA       PRO  88  21.080   1.141  11.358
  639    HB2  PRO  88           HB2      PRO  88  19.311   3.115  10.607
  640    HB3  PRO  88           HB3      PRO  88  20.728   3.405  11.649
  641    HG2  PRO  88           HG2      PRO  88  20.580   3.786   8.630
  642    HG3  PRO  88           HG3      PRO  88  21.110   4.969   9.873
  643    HD2  PRO  88           HD2      PRO  88  22.797   3.464   8.477
  644    HD3  PRO  88           HD3      PRO  88  23.099   3.775  10.215
  645    H    GLU  89           H        GLU  89  18.600   0.982  10.937
  646    HA   GLU  89           HA       GLU  89  18.158  -1.372   9.584
  647    HB2  GLU  89           HB2      GLU  89  16.093   0.759  10.257
  648    HB3  GLU  89           HB3      GLU  89  15.763  -0.954  10.017
  649    HG2  GLU  89           HG2      GLU  89  17.370   0.274  12.287
  650    HG3  GLU  89           HG3      GLU  89  15.705  -0.280  12.355
  651    H    TRP  90           H        TRP  90  18.315   1.705   8.117
  652    HA   TRP  90           HA       TRP  90  16.528   1.471   5.937
  653    HB2  TRP  90           HB2      TRP  90  19.239   2.823   6.195
  654    HB3  TRP  90           HB3      TRP  90  18.075   3.110   4.910
  655    HD1  TRP  90           HD1      TRP  90  18.554   3.798   8.639
  656    HE1  TRP  90           HE1      TRP  90  17.161   5.770   9.320
  657    HE3  TRP  90           HE3      TRP  90  15.736   4.143   4.420
  658    HZ2  TRP  90           HZ2      TRP  90  14.948   7.317   8.175
  659    HZ3  TRP  90           HZ3      TRP  90  13.913   5.811   4.273
  660    HH2  TRP  90           HH2      TRP  90  13.527   7.408   6.116
  661    H    VAL  91           H        VAL  91  19.560  -0.298   6.615
  662    HA   VAL  91           HA       VAL  91  19.797  -0.927   3.777
  663    HB   VAL  91           HB       VAL  91  21.788  -0.470   5.149
  664   HG11  VAL  91          HG11      VAL  91  22.718  -2.047   6.711
  665   HG12  VAL  91          HG12      VAL  91  21.091  -1.673   7.269
  666   HG13  VAL  91          HG13      VAL  91  21.413  -3.207   6.425
  667   HG21  VAL  91          HG21      VAL  91  22.001  -1.735   3.067
  668   HG22  VAL  91          HG22      VAL  91  23.204  -2.238   4.263
  669   HG23  VAL  91          HG23      VAL  91  21.796  -3.264   3.950
  670    H    THR  92           H        THR  92  18.044  -2.081   6.529
  671    HA   THR  92           HA       THR  92  17.999  -4.817   5.495
  672    HB   THR  92           HB       THR  92  17.287  -5.421   7.814
  673    HG1  THR  92           HG1      THR  92  16.394  -3.487   8.506
  674   HG21  THR  92          HG21      THR  92  19.742  -5.313   7.124
  675   HG22  THR  92          HG22      THR  92  19.795  -3.716   7.919
  676   HG23  THR  92          HG23      THR  92  19.414  -5.168   8.861
  677    H    GLN  93           H        GLN  93  16.405  -2.548   4.490
  678    HA   GLN  93           HA       GLN  93  13.618  -3.406   4.982
  679    HB2  GLN  93           HB2      GLN  93  14.702  -1.274   3.093
  680    HB3  GLN  93           HB3      GLN  93  13.002  -1.614   3.431
  681    HG2  GLN  93           HG2      GLN  93  15.061  -0.467   5.331
  682    HG3  GLN  93           HG3      GLN  93  13.605   0.306   4.735
  683   HE21  GLN  93          HE22      GLN  93  14.890  -1.105   7.449
  684   HE22  GLN  93          HE21      GLN  93  13.417  -1.666   8.223
  685    H    GLU  94           H        GLU  94  12.412  -3.497   2.617
  686    HA   GLU  94           HA       GLU  94  13.066  -6.153   1.911
  687    HB2  GLU  94           HB2      GLU  94  11.211  -4.186   0.532
  688    HB3  GLU  94           HB3      GLU  94  11.236  -5.923   0.249
  689    HG2  GLU  94           HG2      GLU  94  10.498  -4.540   2.866
  690    HG3  GLU  94           HG3      GLU  94   9.393  -5.321   1.744
  691    H    ILE  95           H        ILE  95  13.913  -3.103   0.324
  692    HA   ILE  95           HA       ILE  95  15.592  -4.666  -1.605
  693    HB   ILE  95           HB       ILE  95  13.752  -2.377  -2.174
  694   HG12  ILE  95          HG12      ILE  95  13.829  -5.306  -2.978
  695   HG13  ILE  95          HG13      ILE  95  12.531  -4.420  -2.167
  696   HG21  ILE  95          HG21      ILE  95  15.961  -2.084  -3.377
  697   HG22  ILE  95          HG22      ILE  95  15.780  -3.717  -4.051
  698   HG23  ILE  95          HG23      ILE  95  14.660  -2.411  -4.496
  699   HD11  ILE  95          HD11      ILE  95  11.845  -4.856  -4.395
  700   HD12  ILE  95          HD12      ILE  95  12.209  -3.113  -4.294
  701   HD13  ILE  95          HD13      ILE  95  13.370  -4.243  -5.056
  702    H    PHE  96           H        PHE  96  17.688  -3.767  -1.762
  703    HA   PHE  96           HA       PHE  96  18.144  -1.061  -0.909
  704    HB2  PHE  96           HB2      PHE  96  18.650  -2.247   1.163
  705    HB3  PHE  96           HB3      PHE  96  19.675  -3.393   0.292
  706    HD1  PHE  96           HD1      PHE  96  21.877  -2.681  -0.643
  707    HD2  PHE  96           HD2      PHE  96  19.379   0.084   1.535
  708    HE1  PHE  96           HE1      PHE  96  23.673  -0.969  -0.753
  709    HE2  PHE  96           HE2      PHE  96  21.228   1.728   1.549
  710    HZ   PHE  96           HZ       PHE  96  23.389   1.195   0.428
  711    H    GLU  97           H        GLU  97  19.681  -0.130  -2.189
  712    HA   GLU  97           HA       GLU  97  21.719  -1.712  -3.561
  713    HB2  GLU  97           HB2      GLU  97  19.672   0.008  -5.033
  714    HB3  GLU  97           HB3      GLU  97  21.292  -0.275  -5.670
  715    HG2  GLU  97           HG2      GLU  97  20.922  -2.704  -5.575
  716    HG3  GLU  97           HG3      GLU  97  19.219  -2.417  -5.144
  717    H    ASP  98           H        ASP  98  23.411  -0.272  -4.286
  718    HA   ASP  98           HA       ASP  98  23.312   2.523  -3.351
  719    HB2  ASP  98           HB2      ASP  98  24.863   1.526  -1.850
  720    HB3  ASP  98           HB3      ASP  98  25.702   0.705  -3.170
  721    H    TRP  99           H        TRP  99  22.867   3.568  -5.205
  722    HA   TRP  99           HA       TRP  99  23.931   2.719  -7.802
  723    HB2  TRP  99           HB2      TRP  99  22.290   5.155  -7.046
  724    HB3  TRP  99           HB3      TRP  99  22.695   4.643  -8.663
  725    HD1  TRP  99           HD1      TRP  99  21.777   1.468  -7.106
  726    HE1  TRP  99           HE1      TRP  99  19.348   0.856  -7.563
  727    HE3  TRP  99           HE3      TRP  99  20.152   6.044  -8.647
  728    HZ2  TRP  99           HZ2      TRP  99  16.842   2.313  -8.273
  729    HZ3  TRP  99           HZ3      TRP  99  17.752   6.433  -9.097
  730    HH2  TRP  99           HH2      TRP  99  16.130   4.597  -8.884
  731    H    GLN 100           H        GLN 100  26.118   2.804  -7.578
  732    HA   GLN 100           HA       GLN 100  27.615   5.017  -6.637
  733    HB2  GLN 100           HB2      GLN 100  28.416   2.669  -6.825
  734    HB3  GLN 100           HB3      GLN 100  28.393   2.797  -8.585
  735    HG2  GLN 100           HG2      GLN 100  30.079   4.671  -8.417
  736    HG3  GLN 100           HG3      GLN 100  30.132   4.419  -6.671
  737   HE21  GLN 100          HE22      GLN 100  30.477   1.842  -6.134
  738   HE22  GLN 100          HE21      GLN 100  31.805   1.146  -7.020
  739    H    LEU 101           H        LEU 101  27.061   6.983  -7.525
  740    HA   LEU 101           HA       LEU 101  27.586   7.395 -10.424
  741    HB2  LEU 101           HB2      LEU 101  25.348   8.287  -8.580
  742    HB3  LEU 101           HB3      LEU 101  25.896   9.421  -9.774
  743    HG   LEU 101           HG       LEU 101  24.101   8.426 -10.756
  744   HD11  LEU 101          HD11      LEU 101  26.269   6.645 -11.927
  745   HD12  LEU 101          HD12      LEU 101  24.805   7.222 -12.705
  746   HD13  LEU 101          HD13      LEU 101  26.085   8.373 -12.315
  747   HD21  LEU 101          HD21      LEU 101  23.500   6.094 -10.857
  748   HD22  LEU 101          HD22      LEU 101  24.990   5.636 -10.011
  749   HD23  LEU 101          HD23      LEU 101  23.752   6.608  -9.181
  750    H    GLU 102           H        GLU 102  28.333   9.451 -11.027
  751    HA   GLU 102           HA       GLU 102  30.275  10.542  -9.227
  752    HB2  GLU 102           HB2      GLU 102  29.571  11.145 -12.132
  753    HB3  GLU 102           HB3      GLU 102  30.889  11.929 -11.248
  754    HG2  GLU 102           HG2      GLU 102  31.925   9.690 -10.842
  755    HG3  GLU 102           HG3      GLU 102  30.656   8.941 -11.813
  756    H    ASP 103           H        ASP 103  28.984  11.260  -7.639
  757    HA   ASP 103           HA       ASP 103  26.853  12.764  -7.405
  758    HB2  ASP 103           HB2      ASP 103  28.228  12.043  -5.634
  759    HB3  ASP 103           HB3      ASP 103  29.321  13.414  -5.856
  760    HA   PRO 104           HA       PRO 104  27.705  16.059 -10.264
  761    HB2  PRO 104           HB2      PRO 104  24.961  16.923  -9.436
  762    HB3  PRO 104           HB3      PRO 104  25.689  16.749 -11.084
  763    HG2  PRO 104           HG2      PRO 104  24.050  14.851 -10.032
  764    HG3  PRO 104           HG3      PRO 104  25.456  14.464 -11.084
  765    HD2  PRO 104           HD2      PRO 104  25.182  14.156  -8.114
  766    HD3  PRO 104           HD3      PRO 104  26.138  13.196  -9.299
  767    H    ASP 105           H        ASP 105  27.627  16.637  -6.936
  768    HA   ASP 105           HA       ASP 105  27.362  19.447  -6.723
  769    HB2  ASP 105           HB2      ASP 105  27.506  18.083  -4.742
  770    HB3  ASP 105           HB3      ASP 105  29.093  17.478  -5.225
  771    H    GLY 106           H        GLY 106  28.208  20.551  -8.372
  772    HA2  GLY 106           HA2      GLY 106  29.728  22.240  -8.866
  773    HA3  GLY 106           HA3      GLY 106  31.014  21.355  -8.033
  774    H    GLN 107           H        GLN 107  29.060  19.555 -10.376
  775    HA   GLN 107           HA       GLN 107  31.565  19.154 -11.877
  776    HB2  GLN 107           HB2      GLN 107  28.955  17.658 -12.173
  777    HB3  GLN 107           HB3      GLN 107  30.568  17.144 -12.678
  778    HG2  GLN 107           HG2      GLN 107  29.711  17.520  -9.793
  779    HG3  GLN 107           HG3      GLN 107  29.692  15.998 -10.696
  780   HE21  GLN 107          HE22      GLN 107  30.858  15.523  -8.636
  781   HE22  GLN 107          HE21      GLN 107  32.619  15.581  -8.715
  782    H    SER 108           H        SER 108  31.110  18.431 -14.242
  783    HA   SER 108           HA       SER 108  30.304  20.755 -15.791
  784    HB2  SER 108           HB2      SER 108  31.200  17.928 -16.507
  785    HB3  SER 108           HB3      SER 108  31.103  19.294 -17.646
  786    HG   SER 108           HG       SER 108  33.232  18.976 -16.847
  787    H    LEU 109           H        LEU 109  28.584  20.692 -17.422
  788    HA   LEU 109           HA       LEU 109  26.182  19.473 -16.608
  789    HB2  LEU 109           HB2      LEU 109  27.014  20.458 -19.363
  790    HB3  LEU 109           HB3      LEU 109  25.372  19.956 -18.959
  791    HG   LEU 109           HG       LEU 109  26.846  22.214 -17.549
  792   HD11  LEU 109          HD11      LEU 109  24.710  22.334 -19.728
  793   HD12  LEU 109          HD12      LEU 109  25.395  23.728 -18.861
  794   HD13  LEU 109          HD13      LEU 109  26.425  22.756 -19.921
  795   HD21  LEU 109          HD21      LEU 109  25.080  21.268 -16.126
  796   HD22  LEU 109          HD22      LEU 109  24.566  22.837 -16.737
  797   HD23  LEU 109          HD23      LEU 109  23.914  21.354 -17.465
  798    H    GLU 110           H        GLU 110  28.699  18.193 -18.752
  799    HA   GLU 110           HA       GLU 110  27.246  15.995 -19.765
  800    HB2  GLU 110           HB2      GLU 110  29.432  16.807 -20.589
  801    HB3  GLU 110           HB3      GLU 110  30.215  16.217 -19.116
  802    HG2  GLU 110           HG2      GLU 110  29.576  13.895 -19.686
  803    HG3  GLU 110           HG3      GLU 110  28.689  14.469 -21.101
  804    H    VAL 111           H        VAL 111  28.920  16.431 -16.614
  805    HA   VAL 111           HA       VAL 111  28.640  13.652 -15.801
  806    HB   VAL 111           HB       VAL 111  29.130  16.157 -14.178
  807   HG11  VAL 111          HG11      VAL 111  29.306  13.212 -13.434
  808   HG12  VAL 111          HG12      VAL 111  30.025  14.512 -12.470
  809   HG13  VAL 111          HG13      VAL 111  28.273  14.454 -12.691
  810   HG21  VAL 111          HG21      VAL 111  31.067  14.040 -15.227
  811   HG22  VAL 111          HG22      VAL 111  30.968  15.717 -15.792
  812   HG23  VAL 111          HG23      VAL 111  31.499  15.378 -14.143
  813    H    PHE 112           H        PHE 112  26.857  16.738 -15.200
  814    HA   PHE 112           HA       PHE 112  24.791  15.676 -13.599
  815    HB2  PHE 112           HB2      PHE 112  24.979  18.018 -15.495
  816    HB3  PHE 112           HB3      PHE 112  23.430  17.547 -14.846
  817    HD1  PHE 112           HD2      PHE 112  22.811  17.783 -12.529
  818    HD2  PHE 112           HD1      PHE 112  26.718  18.934 -13.962
  819    HE1  PHE 112           HE2      PHE 112  23.268  18.932 -10.380
  820    HE2  PHE 112           HE1      PHE 112  27.169  20.065 -11.810
  821    HZ   PHE 112           HZ       PHE 112  25.490  20.003 -10.013
  822    H    ARG 113           H        ARG 113  24.800  16.050 -17.209
  823    HA   ARG 113           HA       ARG 113  22.367  14.699 -17.658
  824    HB2  ARG 113           HB2      ARG 113  24.818  15.275 -19.344
  825    HB3  ARG 113           HB3      ARG 113  23.541  14.241 -19.997
  826    HG2  ARG 113           HG2      ARG 113  21.928  15.904 -19.993
  827    HG3  ARG 113           HG3      ARG 113  22.718  16.799 -18.696
  828    HD2  ARG 113           HD2      ARG 113  24.354  17.714 -20.065
  829    HD3  ARG 113           HD3      ARG 113  23.858  16.717 -21.470
  830    HE   ARG 113           HE       ARG 113  21.608  18.204 -20.562
  831   HH11  ARG 113          HH11      ARG 113  24.786  18.874 -22.040
  832   HH12  ARG 113          HH12      ARG 113  24.272  20.324 -22.815
  833   HH21  ARG 113          HH21      ARG 113  20.909  20.061 -21.656
  834   HH22  ARG 113          HH22      ARG 113  22.016  21.032 -22.585
  835    H    THR 114           H        THR 114  25.699  13.239 -17.419
  836    HA   THR 114           HA       THR 114  24.867  10.641 -18.121
  837    HB   THR 114           HB       THR 114  27.103  11.645 -16.293
  838    HG1  THR 114           HG1      THR 114  27.362  12.490 -18.293
  839   HG21  THR 114          HG21      THR 114  26.753   9.281 -15.946
  840   HG22  THR 114          HG22      THR 114  26.721   8.990 -17.705
  841   HG23  THR 114          HG23      THR 114  28.224   9.531 -16.905
  842    H    VAL 115           H        VAL 115  25.165  12.240 -14.861
  843    HA   VAL 115           HA       VAL 115  24.215  10.006 -13.419
  844    HB   VAL 115           HB       VAL 115  24.297  12.932 -12.799
  845   HG11  VAL 115          HG11      VAL 115  22.578  11.966 -11.331
  846   HG12  VAL 115          HG12      VAL 115  23.668  10.641 -10.892
  847   HG13  VAL 115          HG13      VAL 115  24.033  12.299 -10.392
  848   HG21  VAL 115          HG21      VAL 115  26.507  11.790 -13.093
  849   HG22  VAL 115          HG22      VAL 115  26.248  12.311 -11.435
  850   HG23  VAL 115          HG23      VAL 115  26.038  10.609 -11.862
  851    H    ARG 116           H        ARG 116  22.405  12.873 -14.742
  852    HA   ARG 116           HA       ARG 116  19.887  12.167 -13.717
  853    HB2  ARG 116           HB2      ARG 116  19.993  14.298 -14.734
  854    HB3  ARG 116           HB3      ARG 116  20.725  13.678 -16.224
  855    HG2  ARG 116           HG2      ARG 116  18.691  12.645 -16.947
  856    HG3  ARG 116           HG3      ARG 116  17.942  12.826 -15.374
  857    HD2  ARG 116           HD2      ARG 116  16.906  14.285 -16.831
  858    HD3  ARG 116           HD3      ARG 116  17.810  15.281 -15.724
  859    HE   ARG 116           HE       ARG 116  19.162  16.034 -17.480
  860   HH11  ARG 116          HH11      ARG 116  17.247  13.263 -18.641
  861   HH12  ARG 116          HH12      ARG 116  17.597  13.549 -20.303
  862   HH21  ARG 116          HH21      ARG 116  19.494  16.495 -19.728
  863   HH22  ARG 116          HH22      ARG 116  18.950  15.360 -20.915
  864    H    GLY 117           H        GLY 117  21.405  11.170 -16.834
  865    HA2  GLY 117           HA2      GLY 117  19.120   9.698 -17.652
  866    HA3  GLY 117           HA3      GLY 117  20.779   9.470 -18.282
  867    H    GLN 118           H        GLN 118  22.126   8.603 -15.980
  868    HA   GLN 118           HA       GLN 118  21.483   5.850 -15.966
  869    HB2  GLN 118           HB2      GLN 118  23.167   7.585 -14.144
  870    HB3  GLN 118           HB3      GLN 118  23.204   5.830 -14.073
  871    HG2  GLN 118           HG2      GLN 118  23.798   7.154 -16.736
  872    HG3  GLN 118           HG3      GLN 118  24.971   7.302 -15.443
  873   HE21  GLN 118          HE22      GLN 118  26.635   5.976 -16.067
  874   HE22  GLN 118          HE21      GLN 118  26.451   4.291 -16.480
  875    H    VAL 119           H        VAL 119  21.115   8.305 -13.385
  876    HA   VAL 119           HA       VAL 119  19.700   6.756 -11.521
  877    HB   VAL 119           HB       VAL 119  19.714   9.753 -12.056
  878   HG11  VAL 119          HG11      VAL 119  18.867  10.125  -9.819
  879   HG12  VAL 119          HG12      VAL 119  17.686   9.182 -10.730
  880   HG13  VAL 119          HG13      VAL 119  18.724   8.380  -9.537
  881   HG21  VAL 119          HG21      VAL 119  21.907   8.713 -11.368
  882   HG22  VAL 119          HG22      VAL 119  21.273   9.817 -10.143
  883   HG23  VAL 119          HG23      VAL 119  21.125   8.060  -9.924
  884    H    LYS 120           H        LYS 120  18.270   8.895 -14.195
  885    HA   LYS 120           HA       LYS 120  15.611   8.382 -13.413
  886    HB2  LYS 120           HB2      LYS 120  16.198  10.150 -14.971
  887    HB3  LYS 120           HB3      LYS 120  16.868   8.983 -16.124
  888    HG2  LYS 120           HG2      LYS 120  14.654   8.024 -16.515
  889    HG3  LYS 120           HG3      LYS 120  13.938   9.121 -15.311
  890    HD2  LYS 120           HD2      LYS 120  14.537  11.070 -16.665
  891    HD3  LYS 120           HD3      LYS 120  15.391  10.057 -17.837
  892    HE2  LYS 120           HE2      LYS 120  12.427   9.803 -17.176
  893    HE3  LYS 120           HE3      LYS 120  13.064  10.778 -18.510
  894    HZ1  LYS 120           HZ1      LYS 120  13.250   7.822 -18.254
  895    HZ2  LYS 120           HZ2      LYS 120  12.397   8.673 -19.348
  896    HZ3  LYS 120           HZ3      LYS 120  14.022   8.699 -19.420
  897    H    GLU 121           H        GLU 121  17.662   6.609 -15.730
  898    HA   GLU 121           HA       GLU 121  15.827   4.599 -16.463
  899    HB2  GLU 121           HB2      GLU 121  17.691   4.424 -17.772
  900    HB3  GLU 121           HB3      GLU 121  18.721   5.139 -16.526
  901    HG2  GLU 121           HG2      GLU 121  19.173   3.208 -15.447
  902    HG3  GLU 121           HG3      GLU 121  17.987   2.244 -16.369
  903    H    ARG 122           H        ARG 122  18.036   4.793 -13.637
  904    HA   ARG 122           HA       ARG 122  17.357   2.108 -12.761
  905    HB2  ARG 122           HB2      ARG 122  18.807   4.417 -11.437
  906    HB3  ARG 122           HB3      ARG 122  18.497   2.867 -10.635
  907    HG2  ARG 122           HG2      ARG 122  19.888   1.633 -11.946
  908    HG3  ARG 122           HG3      ARG 122  19.764   2.735 -13.308
  909    HD2  ARG 122           HD2      ARG 122  21.113   4.435 -12.006
  910    HD3  ARG 122           HD3      ARG 122  21.285   3.246 -10.712
  911    HE   ARG 122           HE       ARG 122  23.006   2.317 -11.858
  912   HH11  ARG 122          HH11      ARG 122  20.951   3.919 -14.279
  913   HH12  ARG 122          HH12      ARG 122  21.915   3.429 -15.634
  914   HH21  ARG 122          HH21      ARG 122  24.436   1.901 -13.669
  915   HH22  ARG 122          HH22      ARG 122  24.034   2.589 -15.215
  916    H    VAL 123           H        VAL 123  16.150   5.381 -11.636
  917    HA   VAL 123           HA       VAL 123  14.232   4.482  -9.868
  918    HB   VAL 123           HB       VAL 123  14.110   6.747 -11.899
  919   HG11  VAL 123          HG11      VAL 123  12.441   7.728 -10.419
  920   HG12  VAL 123          HG12      VAL 123  11.837   6.245 -11.151
  921   HG13  VAL 123          HG13      VAL 123  12.367   6.228  -9.455
  922   HG21  VAL 123          HG21      VAL 123  15.951   6.978 -10.235
  923   HG22  VAL 123          HG22      VAL 123  14.698   8.183 -10.000
  924   HG23  VAL 123          HG23      VAL 123  14.781   6.777  -8.926
  925    H    GLU 124           H        GLU 124  13.875   4.719 -13.508
  926    HA   GLU 124           HA       GLU 124  11.257   3.661 -13.509
  927    HB2  GLU 124           HB2      GLU 124  13.433   3.509 -15.651
  928    HB3  GLU 124           HB3      GLU 124  11.770   2.977 -15.894
  929    HG2  GLU 124           HG2      GLU 124  10.961   5.270 -15.389
  930    HG3  GLU 124           HG3      GLU 124  12.637   5.803 -15.204
  931    H    ASN 125           H        ASN 125  14.400   2.048 -13.561
  932    HA   ASN 125           HA       ASN 125  13.490  -0.595 -13.996
  933    HB2  ASN 125           HB2      ASN 125  15.916   0.478 -13.978
  934    HB3  ASN 125           HB3      ASN 125  15.922  -0.001 -12.286
  935   HD21  ASN 125          HD22      ASN 125  16.414  -0.986 -15.511
  936   HD22  ASN 125          HD21      ASN 125  16.558  -2.707 -15.233
  937    H    LEU 126           H        LEU 126  14.108   1.217 -10.996
  938    HA   LEU 126           HA       LEU 126  13.399  -0.877  -9.229
  939    HB2  LEU 126           HB2      LEU 126  14.153   0.414  -7.619
  940    HB3  LEU 126           HB3      LEU 126  14.650   1.500  -8.890
  941    HG   LEU 126           HG       LEU 126  12.305   2.564  -8.614
  942   HD11  LEU 126          HD11      LEU 126  11.253   2.372  -6.440
  943   HD12  LEU 126          HD12      LEU 126  11.507   0.703  -6.983
  944   HD13  LEU 126          HD13      LEU 126  12.596   1.401  -5.803
  945   HD21  LEU 126          HD21      LEU 126  14.510   3.566  -7.931
  946   HD22  LEU 126          HD22      LEU 126  13.099   4.115  -7.028
  947   HD23  LEU 126          HD23      LEU 126  14.220   2.939  -6.305
  948    H    ILE 127           H        ILE 127  11.446   1.828 -10.480
  949    HA   ILE 127           HA       ILE 127   8.985   1.143  -9.260
  950    HB   ILE 127           HB       ILE 127   9.781   2.511 -11.859
  951   HG12  ILE 127          HG12      ILE 127   8.485   3.678  -9.353
  952   HG13  ILE 127          HG13      ILE 127  10.231   3.605  -9.574
  953   HG21  ILE 127          HG21      ILE 127   6.972   2.093 -10.781
  954   HG22  ILE 127          HG22      ILE 127   7.389   3.340 -11.991
  955   HG23  ILE 127          HG23      ILE 127   7.637   1.651 -12.369
  956   HD11  ILE 127          HD11      ILE 127   9.978   4.953 -11.696
  957   HD12  ILE 127          HD12      ILE 127   8.275   5.204 -11.276
  958   HD13  ILE 127          HD13      ILE 127   9.540   5.807 -10.204
  959    H    ALA 128           H        ALA 128  10.511  -0.201 -12.235
  960    HA   ALA 128           HA       ALA 128   8.187  -1.442 -13.216
  961    HB1  ALA 128           HB1      ALA 128   9.684  -2.850 -14.555
  962    HB2  ALA 128           HB2      ALA 128  10.274  -1.178 -14.526
  963    HB3  ALA 128           HB3      ALA 128  11.060  -2.421 -13.523
  964    H    LYS 129           H        LYS 129  10.369  -2.466 -10.701
  965    HA   LYS 129           HA       LYS 129   9.604  -5.192 -10.455
  966    HB2  LYS 129           HB2      LYS 129  10.897  -3.239  -8.561
  967    HB3  LYS 129           HB3      LYS 129  10.841  -4.988  -8.292
  968    HG2  LYS 129           HG2      LYS 129  12.178  -5.404 -10.294
  969    HG3  LYS 129           HG3      LYS 129  12.106  -3.703 -10.753
  970    HD2  LYS 129           HD2      LYS 129  13.188  -3.272  -8.404
  971    HD3  LYS 129           HD3      LYS 129  13.669  -4.972  -8.519
  972    HE2  LYS 129           HE2      LYS 129  14.289  -2.699 -10.469
  973    HE3  LYS 129           HE3      LYS 129  15.440  -3.423  -9.347
  974    HZ1  LYS 129           HZ1      LYS 129  14.159  -4.920 -11.559
  975    HZ2  LYS 129           HZ2      LYS 129  15.583  -4.157 -11.691
  976    HZ3  LYS 129           HZ3      LYS 129  15.425  -5.415 -10.637
  977    H    ILE 130           H        ILE 130   8.110  -2.221  -9.277
  978    HA   ILE 130           HA       ILE 130   6.451  -3.661  -7.363
  979    HB   ILE 130           HB       ILE 130   6.463  -1.323  -6.303
  980   HG12  ILE 130          HG12      ILE 130   8.710  -0.858  -8.199
  981   HG13  ILE 130          HG13      ILE 130   7.260   0.109  -7.936
  982   HG21  ILE 130          HG21      ILE 130   9.117  -2.831  -6.463
  983   HG22  ILE 130          HG22      ILE 130   8.502  -1.948  -5.037
  984   HG23  ILE 130          HG23      ILE 130   7.720  -3.439  -5.541
  985   HD11  ILE 130          HD11      ILE 130   8.176   0.598  -5.615
  986   HD12  ILE 130          HD12      ILE 130   9.657  -0.252  -6.094
  987   HD13  ILE 130          HD13      ILE 130   9.180   1.204  -6.967
  988    H    SER 131           H        SER 131   6.378  -1.556 -10.035
  989    HA   SER 131           HA       SER 131   3.934  -0.350 -10.155
  990    HB2  SER 131           HB2      SER 131   5.255  -2.023 -12.329
  991    HB3  SER 131           HB3      SER 131   3.926  -0.879 -12.591
  992    HG   SER 131           HG       SER 131   6.501  -0.270 -11.526
  Start of MODEL   16
    1    H    MET   1           H        MET   1   1.406  -1.222  -3.363
    2    HA   MET   1           HA       MET   1   2.286   0.865  -4.061
    3    HB2  MET   1           HB2      MET   1   0.656   2.339  -3.057
    4    HB3  MET   1           HB3      MET   1   1.129   1.865  -1.421
    5    HG2  MET   1           HG2      MET   1   3.255   2.960  -1.616
    6    HG3  MET   1           HG3      MET   1   3.034   3.234  -3.341
    7    HE1  MET   1           HE1      MET   1   0.646   6.223  -3.618
    8    HE2  MET   1           HE2      MET   1   1.899   5.257  -4.422
    9    HE3  MET   1           HE3      MET   1   0.356   4.505  -3.953
   10    H    LYS   2           H        LYS   2   4.463   1.346  -3.625
   11    HA   LYS   2           HA       LYS   2   5.687   0.048  -1.210
   12    HB2  LYS   2           HB2      LYS   2   6.595   0.082  -4.108
   13    HB3  LYS   2           HB3      LYS   2   7.804   0.260  -2.845
   14    HG2  LYS   2           HG2      LYS   2   7.781  -2.010  -3.232
   15    HG3  LYS   2           HG3      LYS   2   6.840  -1.799  -1.748
   16    HD2  LYS   2           HD2      LYS   2   4.756  -2.158  -2.958
   17    HD3  LYS   2           HD3      LYS   2   5.631  -2.192  -4.496
   18    HE2  LYS   2           HE2      LYS   2   5.115  -4.475  -3.770
   19    HE3  LYS   2           HE3      LYS   2   6.858  -4.209  -3.810
   20    HZ1  LYS   2           HZ1      LYS   2   6.136  -5.401  -1.825
   21    HZ2  LYS   2           HZ2      LYS   2   6.849  -4.000  -1.389
   22    HZ3  LYS   2           HZ3      LYS   2   5.209  -4.155  -1.344
   23    H    LYS   3           H        LYS   3   7.106   1.278  -0.055
   24    HA   LYS   3           HA       LYS   3   7.306   4.149  -0.780
   25    HB2  LYS   3           HB2      LYS   3   7.473   2.581   1.803
   26    HB3  LYS   3           HB3      LYS   3   8.446   4.030   1.677
   27    HG2  LYS   3           HG2      LYS   3   6.596   5.414   1.014
   28    HG3  LYS   3           HG3      LYS   3   5.485   4.026   0.958
   29    HD2  LYS   3           HD2      LYS   3   5.643   3.732   3.359
   30    HD3  LYS   3           HD3      LYS   3   6.956   4.935   3.462
   31    HE2  LYS   3           HE2      LYS   3   5.446   6.697   2.697
   32    HE3  LYS   3           HE3      LYS   3   4.115   5.536   2.536
   33    HZ1  LYS   3           HZ1      LYS   3   5.519   6.075   5.089
   34    HZ2  LYS   3           HZ2      LYS   3   4.111   6.824   4.655
   35    HZ3  LYS   3           HZ3      LYS   3   4.154   5.206   4.899
   36    H    VAL   4           H        VAL   4   9.031   4.745  -1.911
   37    HA   VAL   4           HA       VAL   4  11.540   3.214  -1.565
   38    HB   VAL   4           HB       VAL   4  10.683   3.360  -3.815
   39   HG11  VAL   4          HG11      VAL   4  10.650   5.392  -5.151
   40   HG12  VAL   4          HG12      VAL   4   9.454   5.448  -3.847
   41   HG13  VAL   4          HG13      VAL   4  10.985   6.348  -3.704
   42   HG21  VAL   4          HG21      VAL   4  12.719   4.152  -4.961
   43   HG22  VAL   4          HG22      VAL   4  13.182   5.112  -3.553
   44   HG23  VAL   4          HG23      VAL   4  13.188   3.348  -3.455
   45    H    MET   5           H        MET   5  13.290   4.032  -0.734
   46    HA   MET   5           HA       MET   5  13.345   6.992  -0.154
   47    HB2  MET   5           HB2      MET   5  13.369   5.716   1.931
   48    HB3  MET   5           HB3      MET   5  14.748   4.773   1.344
   49    HG2  MET   5           HG2      MET   5  15.562   6.496   2.852
   50    HG3  MET   5           HG3      MET   5  16.111   6.820   1.239
   51    HE1  MET   5           HE1      MET   5  13.415   9.397   3.881
   52    HE2  MET   5           HE2      MET   5  13.271   7.627   3.799
   53    HE3  MET   5           HE3      MET   5  14.780   8.367   4.365
   54    H    PHE   6           H        PHE   6  15.141   8.098  -0.855
   55    HA   PHE   6           HA       PHE   6  17.332   6.618  -2.253
   56    HB2  PHE   6           HB2      PHE   6  16.344   9.394  -2.851
   57    HB3  PHE   6           HB3      PHE   6  17.753   8.601  -3.554
   58    HD1  PHE   6           HD2      PHE   6  17.512   6.679  -5.065
   59    HD2  PHE   6           HD1      PHE   6  14.071   8.771  -3.522
   60    HE1  PHE   6           HE2      PHE   6  16.121   5.664  -6.887
   61    HE2  PHE   6           HE1      PHE   6  12.668   7.596  -5.263
   62    HZ   PHE   6           HZ       PHE   6  13.673   6.124  -6.918
   63    H    VAL   7           H        VAL   7  19.447   7.111  -1.471
   64    HA   VAL   7           HA       VAL   7  19.729   9.163   0.656
   65    HB   VAL   7           HB       VAL   7  20.756   6.296   0.872
   66   HG11  VAL   7          HG11      VAL   7  20.284   8.419   3.002
   67   HG12  VAL   7          HG12      VAL   7  21.020   6.813   3.221
   68   HG13  VAL   7          HG13      VAL   7  21.859   8.031   2.267
   69   HG21  VAL   7          HG21      VAL   7  18.380   5.941   0.864
   70   HG22  VAL   7          HG22      VAL   7  18.983   5.771   2.511
   71   HG23  VAL   7          HG23      VAL   7  18.141   7.259   2.042
   72    H    CYS   8           H        CYS   8  21.727  10.252   0.346
   73    HA   CYS   8           HA       CYS   8  23.940   8.667  -0.794
   74    HB2  CYS   8           HB2      CYS   8  24.666  10.947  -1.949
   75    HB3  CYS   8           HB3      CYS   8  23.634   9.767  -2.741
   76    HG   CYS   8           HG       CYS   8  21.378  10.877  -2.167
   77    H    LYS   9           H        LYS   9  26.095   9.929  -0.395
   78    HA   LYS   9           HA       LYS   9  26.249  10.545   2.392
   79    HB2  LYS   9           HB2      LYS   9  28.601  10.817   2.008
   80    HB3  LYS   9           HB3      LYS   9  28.016   9.450   1.055
   81    HG2  LYS   9           HG2      LYS   9  27.834  11.155  -0.906
   82    HG3  LYS   9           HG3      LYS   9  28.857  12.203   0.071
   83    HD2  LYS   9           HD2      LYS   9  29.489   9.354  -0.829
   84    HD3  LYS   9           HD3      LYS   9  30.127  10.803  -1.586
   85    HE2  LYS   9           HE2      LYS   9  30.679   9.949   1.300
   86    HE3  LYS   9           HE3      LYS   9  31.745   9.647  -0.072
   87    HZ1  LYS   9           HZ1      LYS   9  31.025  12.338   0.943
   88    HZ2  LYS   9           HZ2      LYS   9  32.455  11.588   1.132
   89    HZ3  LYS   9           HZ3      LYS   9  31.983  12.046  -0.354
   90    H    ARG  10           H        ARG  10  25.185  12.512  -0.159
   91    HA   ARG  10           HA       ARG  10  24.848  14.758   1.569
   92    HB2  ARG  10           HB2      ARG  10  25.853  16.434   0.075
   93    HB3  ARG  10           HB3      ARG  10  27.045  15.402   0.843
   94    HG2  ARG  10           HG2      ARG  10  27.181  14.090  -1.389
   95    HG3  ARG  10           HG3      ARG  10  26.235  15.397  -2.103
   96    HD2  ARG  10           HD2      ARG  10  28.923  15.663  -0.707
   97    HD3  ARG  10           HD3      ARG  10  28.630  15.742  -2.443
   98    HE   ARG  10           HE       ARG  10  27.384  17.807  -2.148
   99   HH11  ARG  10          HH11      ARG  10  29.348  16.922   0.700
  100   HH12  ARG  10          HH12      ARG  10  29.440  18.545   1.271
  101   HH21  ARG  10          HH21      ARG  10  27.575  19.835  -1.489
  102   HH22  ARG  10          HH22      ARG  10  28.398  20.291  -0.010
  103    H    ASN  11           H        ASN  11  22.756  14.668   1.276
  104    HA   ASN  11           HA       ASN  11  21.127  13.552  -0.634
  105    HB2  ASN  11           HB2      ASN  11  20.320  14.334   1.471
  106    HB3  ASN  11           HB3      ASN  11  20.686  16.015   1.063
  107   HD21  ASN  11          HD22      ASN  11  18.633  13.241  -0.027
  108   HD22  ASN  11          HD21      ASN  11  17.350  14.244  -0.674
  109    H    SER  12           H        SER  12  22.752  16.649  -0.923
  110    HA   SER  12           HA       SER  12  21.435  18.421  -2.149
  111    HB2  SER  12           HB2      SER  12  24.081  17.696  -3.410
  112    HB3  SER  12           HB3      SER  12  23.437  19.293  -3.011
  113    HG   SER  12           HG       SER  12  25.051  18.639  -1.586
  114    H    CYS  13           H        CYS  13  22.502  15.635  -4.186
  115    HA   CYS  13           HA       CYS  13  20.938  16.844  -6.428
  116    HB2  CYS  13           HB2      CYS  13  22.915  16.183  -7.902
  117    HB3  CYS  13           HB3      CYS  13  23.094  17.605  -6.867
  118    HG   CYS  13           HG       CYS  13  25.356  16.569  -6.741
  119    H    ARG  14           H        ARG  14  22.930  13.810  -6.042
  120    HA   ARG  14           HA       ARG  14  21.408  12.493  -7.924
  121    HB2  ARG  14           HB2      ARG  14  22.109  10.225  -6.793
  122    HB3  ARG  14           HB3      ARG  14  23.216  11.262  -7.643
  123    HG2  ARG  14           HG2      ARG  14  23.458  12.190  -4.979
  124    HG3  ARG  14           HG3      ARG  14  23.204  10.461  -4.816
  125    HD2  ARG  14           HD2      ARG  14  25.031   9.999  -6.373
  126    HD3  ARG  14           HD3      ARG  14  25.271  11.721  -6.664
  127    HE   ARG  14           HE       ARG  14  26.119  10.113  -4.405
  128   HH11  ARG  14          HH11      ARG  14  25.241  13.493  -5.142
  129   HH12  ARG  14          HH12      ARG  14  26.743  14.122  -4.568
  130   HH21  ARG  14          HH21      ARG  14  27.869  11.050  -3.235
  131   HH22  ARG  14          HH22      ARG  14  28.053  12.782  -3.148
  132    H    SER  15           H        SER  15  20.917  12.347  -4.344
  133    HA   SER  15           HA       SER  15  18.624  10.697  -4.261
  134    HB2  SER  15           HB2      SER  15  19.899  12.780  -2.519
  135    HB3  SER  15           HB3      SER  15  18.222  12.444  -2.203
  136    HG   SER  15           HG       SER  15  19.508  11.049  -0.988
  137    H    GLN  16           H        GLN  16  18.889  14.310  -4.425
  138    HA   GLN  16           HA       GLN  16  16.119  14.824  -4.294
  139    HB2  GLN  16           HB2      GLN  16  18.568  16.364  -5.233
  140    HB3  GLN  16           HB3      GLN  16  16.980  17.085  -5.385
  141    HG2  GLN  16           HG2      GLN  16  18.072  15.972  -2.781
  142    HG3  GLN  16           HG3      GLN  16  18.219  17.656  -3.251
  143   HE21  GLN  16          HE22      GLN  16  16.924  16.743  -0.892
  144   HE22  GLN  16          HE21      GLN  16  15.236  17.231  -0.975
  145    H    MET  17           H        MET  17  18.239  14.504  -7.179
  146    HA   MET  17           HA       MET  17  16.170  15.020  -9.107
  147    HB2  MET  17           HB2      MET  17  18.881  13.655  -9.164
  148    HB3  MET  17           HB3      MET  17  17.800  13.571 -10.546
  149    HG2  MET  17           HG2      MET  17  17.593  16.095 -10.456
  150    HG3  MET  17           HG3      MET  17  18.928  16.100  -9.304
  151    HE1  MET  17           HE1      MET  17  21.429  15.697  -9.954
  152    HE2  MET  17           HE2      MET  17  21.003  14.012 -10.347
  153    HE3  MET  17           HE3      MET  17  21.956  14.980 -11.495
  154    H    ALA  18           H        ALA  18  17.424  11.961  -7.631
  155    HA   ALA  18           HA       ALA  18  15.736  10.242  -9.095
  156    HB1  ALA  18           HB1      ALA  18  16.160   8.622  -7.370
  157    HB2  ALA  18           HB2      ALA  18  17.662   9.519  -7.637
  158    HB3  ALA  18           HB3      ALA  18  16.660   9.869  -6.213
  159    H    GLU  19           H        GLU  19  15.146  12.133  -6.131
  160    HA   GLU  19           HA       GLU  19  12.656  11.017  -5.461
  161    HB2  GLU  19           HB2      GLU  19  14.238  12.856  -4.255
  162    HB3  GLU  19           HB3      GLU  19  13.080  13.964  -4.986
  163    HG2  GLU  19           HG2      GLU  19  11.251  12.434  -3.983
  164    HG3  GLU  19           HG3      GLU  19  12.567  11.693  -3.054
  165    H    GLY  20           H        GLY  20  13.429  13.883  -7.447
  166    HA2  GLY  20           HA2      GLY  20  10.760  14.625  -8.073
  167    HA3  GLY  20           HA3      GLY  20  12.213  15.075  -8.975
  168    H    PHE  21           H        PHE  21  13.104  12.526  -9.938
  169    HA   PHE  21           HA       PHE  21  11.201  12.148 -12.077
  170    HB2  PHE  21           HB2      PHE  21  13.556  10.388 -11.306
  171    HB3  PHE  21           HB3      PHE  21  12.604  10.238 -12.778
  172    HD1  PHE  21           HD2      PHE  21  12.369  12.646 -14.159
  173    HD2  PHE  21           HD1      PHE  21  15.624  11.441 -11.599
  174    HE1  PHE  21           HE2      PHE  21  13.745  14.547 -14.985
  175    HE2  PHE  21           HE1      PHE  21  16.997  13.299 -12.491
  176    HZ   PHE  21           HZ       PHE  21  15.980  14.923 -14.084
  177    H    ALA  22           H        ALA  22  11.973  10.195  -9.124
  178    HA   ALA  22           HA       ALA  22  10.295   8.032  -9.714
  179    HB1  ALA  22           HB1      ALA  22  10.337   7.620  -7.251
  180    HB2  ALA  22           HB2      ALA  22  11.954   8.007  -7.882
  181    HB3  ALA  22           HB3      ALA  22  11.015   9.255  -7.051
  182    H    LYS  23           H        LYS  23   9.364  11.097  -7.981
  183    HA   LYS  23           HA       LYS  23   6.714  10.048  -7.662
  184    HB2  LYS  23           HB2      LYS  23   5.978  12.278  -7.043
  185    HB3  LYS  23           HB3      LYS  23   7.361  11.724  -6.142
  186    HG2  LYS  23           HG2      LYS  23   8.780  13.192  -7.751
  187    HG3  LYS  23           HG3      LYS  23   7.233  13.853  -8.293
  188    HD2  LYS  23           HD2      LYS  23   7.949  15.317  -6.556
  189    HD3  LYS  23           HD3      LYS  23   6.715  14.272  -5.790
  190    HE2  LYS  23           HE2      LYS  23   8.354  12.918  -4.742
  191    HE3  LYS  23           HE3      LYS  23   9.680  13.667  -5.647
  192    HZ1  LYS  23           HZ1      LYS  23   9.587  14.571  -3.408
  193    HZ2  LYS  23           HZ2      LYS  23   9.248  15.753  -4.455
  194    HZ3  LYS  23           HZ3      LYS  23   8.026  15.051  -3.603
  195    H    THR  24           H        THR  24   8.320  11.752 -10.381
  196    HA   THR  24           HA       THR  24   5.757  12.397 -11.509
  197    HB   THR  24           HB       THR  24   8.550  12.070 -12.817
  198    HG1  THR  24           HG1      THR  24   8.734  13.626 -11.239
  199   HG21  THR  24          HG21      THR  24   7.695  13.728 -14.466
  200   HG22  THR  24          HG22      THR  24   6.809  12.194 -14.482
  201   HG23  THR  24          HG23      THR  24   6.088  13.620 -13.694
  202    H    LEU  25           H        LEU  25   8.117   9.801 -11.843
  203    HA   LEU  25           HA       LEU  25   6.901   8.382 -13.992
  204    HB2  LEU  25           HB2      LEU  25   8.908   7.605 -11.854
  205    HB3  LEU  25           HB3      LEU  25   8.516   6.600 -13.248
  206    HG   LEU  25           HG       LEU  25   9.635   9.441 -13.521
  207   HD11  LEU  25          HD11      LEU  25  11.204   8.127 -12.304
  208   HD12  LEU  25          HD12      LEU  25  11.030   6.742 -13.394
  209   HD13  LEU  25          HD13      LEU  25  11.798   8.244 -13.970
  210   HD21  LEU  25          HD21      LEU  25   8.478   8.643 -15.530
  211   HD22  LEU  25          HD22      LEU  25  10.224   8.647 -15.801
  212   HD23  LEU  25          HD23      LEU  25   9.380   7.113 -15.480
  213    H    GLY  26           H        GLY  26   6.876   7.955 -10.476
  214    HA2  GLY  26           HA2      GLY  26   4.700   5.927 -10.796
  215    HA3  GLY  26           HA3      GLY  26   6.101   5.764  -9.742
  216    H    ALA  27           H        ALA  27   4.899   9.005  -9.341
  217    HA   ALA  27           HA       ALA  27   3.756   8.437  -6.807
  218    HB1  ALA  27           HB1      ALA  27   2.727  10.720  -6.982
  219    HB2  ALA  27           HB2      ALA  27   4.462  10.706  -7.303
  220    HB3  ALA  27           HB3      ALA  27   3.318  10.840  -8.658
  221    H    GLY  28           H        GLY  28   1.994   7.321  -6.377
  222    HA2  GLY  28           HA2      GLY  28  -0.512   7.231  -6.717
  223    HA3  GLY  28           HA3      GLY  28  -0.156   7.025  -8.439
  224    H    LYS  29           H        LYS  29   2.328   5.349  -7.773
  225    HA   LYS  29           HA       LYS  29   1.034   2.925  -6.636
  226    HB2  LYS  29           HB2      LYS  29   2.312   1.591  -8.345
  227    HB3  LYS  29           HB3      LYS  29   0.887   2.471  -8.870
  228    HG2  LYS  29           HG2      LYS  29   2.353   2.772 -10.638
  229    HG3  LYS  29           HG3      LYS  29   2.438   4.294  -9.791
  230    HD2  LYS  29           HD2      LYS  29   4.674   3.707 -10.398
  231    HD3  LYS  29           HD3      LYS  29   4.528   3.499  -8.662
  232    HE2  LYS  29           HE2      LYS  29   5.770   1.627  -9.590
  233    HE3  LYS  29           HE3      LYS  29   4.213   1.008  -9.055
  234    HZ1  LYS  29           HZ1      LYS  29   4.778   1.784 -11.869
  235    HZ2  LYS  29           HZ2      LYS  29   4.956   0.274 -11.305
  236    HZ3  LYS  29           HZ3      LYS  29   3.465   0.963 -11.327
  237    H    ILE  30           H        ILE  30   3.828   5.025  -6.767
  238    HA   ILE  30           HA       ILE  30   4.834   3.529  -4.432
  239    HB   ILE  30           HB       ILE  30   7.121   4.230  -5.004
  240   HG12  ILE  30          HG12      ILE  30   6.355   4.575  -7.902
  241   HG13  ILE  30          HG13      ILE  30   6.350   5.969  -6.822
  242   HG21  ILE  30          HG21      ILE  30   6.517   1.969  -5.310
  243   HG22  ILE  30          HG22      ILE  30   5.716   2.264  -6.874
  244   HG23  ILE  30          HG23      ILE  30   7.470   2.419  -6.727
  245   HD11  ILE  30          HD11      ILE  30   8.479   5.741  -8.069
  246   HD12  ILE  30          HD12      ILE  30   8.683   5.709  -6.311
  247   HD13  ILE  30          HD13      ILE  30   8.809   4.200  -7.270
  248    H    ALA  31           H        ALA  31   5.738   4.895  -2.847
  249    HA   ALA  31           HA       ALA  31   5.210   7.829  -3.154
  250    HB1  ALA  31           HB1      ALA  31   5.142   6.014  -0.697
  251    HB2  ALA  31           HB2      ALA  31   5.094   7.790  -0.638
  252    HB3  ALA  31           HB3      ALA  31   3.772   6.894  -1.412
  253    H    VAL  32           H        VAL  32   7.116   9.006  -3.124
  254    HA   VAL  32           HA       VAL  32   9.588   7.541  -2.404
  255    HB   VAL  32           HB       VAL  32   9.365   8.054  -4.700
  256   HG11  VAL  32          HG11      VAL  32   7.754   9.776  -4.895
  257   HG12  VAL  32          HG12      VAL  32   8.771  10.924  -3.977
  258   HG13  VAL  32          HG13      VAL  32   9.257  10.372  -5.591
  259   HG21  VAL  32          HG21      VAL  32  11.188  10.162  -3.520
  260   HG22  VAL  32          HG22      VAL  32  11.598   8.451  -3.519
  261   HG23  VAL  32          HG23      VAL  32  11.408   9.335  -5.043
  262    H    THR  33           H        THR  33  11.177   8.484  -1.251
  263    HA   THR  33           HA       THR  33  11.014  11.279  -0.470
  264    HB   THR  33           HB       THR  33  11.702   9.058   1.514
  265    HG1  THR  33           HG1      THR  33   9.236  10.283   1.011
  266   HG21  THR  33          HG21      THR  33  11.349  10.855   3.212
  267   HG22  THR  33          HG22      THR  33  12.717  11.163   2.151
  268   HG23  THR  33          HG23      THR  33  11.186  12.038   1.897
  269    H    SER  34           H        SER  34  13.223  12.136  -0.327
  270    HA   SER  34           HA       SER  34  15.396  10.160  -0.500
  271    HB2  SER  34           HB2      SER  34  16.541  11.449  -2.020
  272    HB3  SER  34           HB3      SER  34  14.897  11.466  -2.629
  273    HG   SER  34           HG       SER  34  14.607  13.518  -1.714
  274    H    CYS  35           H        CYS  35  17.447  10.907   0.503
  275    HA   CYS  35           HA       CYS  35  17.357  13.120   2.343
  276    HB2  CYS  35           HB2      CYS  35  17.516  11.796   4.394
  277    HB3  CYS  35           HB3      CYS  35  15.994  11.435   3.581
  278    HG   CYS  35           HG       CYS  35  16.825   9.271   2.366
  279    H    GLY  36           H        GLY  36  19.544  12.077   3.956
  280    HA2  GLY  36           HA2      GLY  36  21.394  10.698   2.270
  281    HA3  GLY  36           HA3      GLY  36  21.880  12.389   2.510
  282    H    LEU  37           H        LEU  37  23.453  10.331   3.415
  283    HA   LEU  37           HA       LEU  37  23.111   9.426   6.072
  284    HB2  LEU  37           HB2      LEU  37  25.607  10.123   4.485
  285    HB3  LEU  37           HB3      LEU  37  25.690   9.453   6.103
  286    HG   LEU  37           HG       LEU  37  24.291   8.031   3.800
  287   HD11  LEU  37          HD11      LEU  37  26.296   6.602   3.703
  288   HD12  LEU  37          HD12      LEU  37  26.697   8.279   3.329
  289   HD13  LEU  37          HD13      LEU  37  27.094   7.611   4.928
  290   HD21  LEU  37          HD21      LEU  37  23.467   7.246   5.960
  291   HD22  LEU  37          HD22      LEU  37  24.590   6.037   5.333
  292   HD23  LEU  37          HD23      LEU  37  25.121   7.144   6.607
  293    H    GLU  38           H        GLU  38  24.083  12.555   4.832
  294    HA   GLU  38           HA       GLU  38  23.524  13.759   7.405
  295    HB2  GLU  38           HB2      GLU  38  26.053  13.465   7.322
  296    HB3  GLU  38           HB3      GLU  38  26.057  14.502   5.881
  297    HG2  GLU  38           HG2      GLU  38  25.096  16.353   7.197
  298    HG3  GLU  38           HG3      GLU  38  24.957  15.307   8.609
  299    H    SER  39           H        SER  39  22.634  15.834   6.997
  300    HA   SER  39           HA       SER  39  21.447  16.099   4.359
  301    HB2  SER  39           HB2      SER  39  20.436  18.188   5.608
  302    HB3  SER  39           HB3      SER  39  19.962  16.564   6.108
  303    HG   SER  39           HG       SER  39  20.535  17.973   7.867
  304    H    SER  40           H        SER  40  21.337  18.221   3.297
  305    HA   SER  40           HA       SER  40  23.571  20.076   3.600
  306    HB2  SER  40           HB2      SER  40  24.181  19.783   1.172
  307    HB3  SER  40           HB3      SER  40  24.624  18.425   2.206
  308    HG   SER  40           HG       SER  40  23.482  18.113   0.072
  309    H    ARG  41           H        ARG  41  22.450  20.550   0.565
  310    HA   ARG  41           HA       ARG  41  19.786  21.462   1.092
  311    HB2  ARG  41           HB2      ARG  41  20.001  23.746   0.519
  312    HB3  ARG  41           HB3      ARG  41  21.142  23.455   1.821
  313    HG2  ARG  41           HG2      ARG  41  21.867  23.738  -1.123
  314    HG3  ARG  41           HG3      ARG  41  21.975  25.007   0.088
  315    HD2  ARG  41           HD2      ARG  41  23.536  22.418   0.083
  316    HD3  ARG  41           HD3      ARG  41  24.166  24.017  -0.341
  317    HE   ARG  41           HE       ARG  41  23.211  24.408   2.183
  318   HH11  ARG  41          HH11      ARG  41  25.569  22.149   0.803
  319   HH12  ARG  41          HH12      ARG  41  26.374  21.849   2.300
  320   HH21  ARG  41          HH21      ARG  41  24.295  24.031   4.176
  321   HH22  ARG  41          HH22      ARG  41  25.647  22.970   4.253
  322    H    VAL  42           H        VAL  42  18.757  22.014  -1.075
  323    HA   VAL  42           HA       VAL  42  19.612  20.002  -2.922
  324    HB   VAL  42           HB       VAL  42  17.609  22.249  -3.416
  325   HG11  VAL  42          HG11      VAL  42  18.383  21.110  -5.463
  326   HG12  VAL  42          HG12      VAL  42  18.054  19.530  -4.745
  327   HG13  VAL  42          HG13      VAL  42  16.711  20.646  -5.095
  328   HG21  VAL  42          HG21      VAL  42  16.853  21.089  -1.452
  329   HG22  VAL  42          HG22      VAL  42  15.923  20.430  -2.806
  330   HG23  VAL  42          HG23      VAL  42  17.287  19.515  -2.118
  331    H    HIS  43           H        HIS  43  20.927  20.162  -4.676
  332    HA   HIS  43           HA       HIS  43  22.576  22.486  -4.865
  333    HB2  HIS  43           HB2      HIS  43  23.058  19.917  -5.266
  334    HB3  HIS  43           HB3      HIS  43  22.470  20.231  -6.894
  335    HD1  HIS  43           HD1      HIS  43  24.207  21.574  -8.460
  336    HD2  HIS  43           HD2      HIS  43  25.305  21.215  -4.417
  337    HE1  HIS  43           HE1      HIS  43  26.615  22.346  -8.306
  338    HA   PRO  44           HA       PRO  44  19.835  24.612  -7.472
  339    HB2  PRO  44           HB2      PRO  44  21.370  26.539  -8.711
  340    HB3  PRO  44           HB3      PRO  44  21.006  26.548  -6.959
  341    HG2  PRO  44           HG2      PRO  44  23.509  25.551  -8.340
  342    HG3  PRO  44           HG3      PRO  44  23.378  26.560  -6.868
  343    HD2  PRO  44           HD2      PRO  44  23.774  23.835  -6.817
  344    HD3  PRO  44           HD3      PRO  44  22.873  24.698  -5.527
  345    H    THR  45           H        THR  45  22.796  23.610  -9.309
  346    HA   THR  45           HA       THR  45  21.502  23.726 -11.769
  347    HB   THR  45           HB       THR  45  23.706  21.842 -10.836
  348    HG1  THR  45           HG1      THR  45  23.969  24.543 -11.627
  349   HG21  THR  45          HG21      THR  45  23.260  23.045 -13.584
  350   HG22  THR  45          HG22      THR  45  24.737  22.170 -13.048
  351   HG23  THR  45          HG23      THR  45  23.189  21.330 -13.113
  352    H    ALA  46           H        ALA  46  21.026  21.409  -9.253
  353    HA   ALA  46           HA       ALA  46  20.166  19.111 -10.733
  354    HB1  ALA  46           HB1      ALA  46  20.533  19.454  -8.164
  355    HB2  ALA  46           HB2      ALA  46  18.868  20.179  -8.199
  356    HB3  ALA  46           HB3      ALA  46  19.126  18.490  -8.680
  357    H    ILE  47           H        ILE  47  18.617  22.205  -9.756
  358    HA   ILE  47           HA       ILE  47  15.984  21.550 -10.319
  359    HB   ILE  47           HB       ILE  47  17.460  24.196 -10.566
  360   HG12  ILE  47          HG12      ILE  47  15.972  23.272  -8.076
  361   HG13  ILE  47          HG13      ILE  47  17.688  22.980  -8.269
  362   HG21  ILE  47          HG21      ILE  47  14.533  23.644 -10.065
  363   HG22  ILE  47          HG22      ILE  47  15.294  25.255 -10.139
  364   HG23  ILE  47          HG23      ILE  47  15.239  24.244 -11.576
  365   HD11  ILE  47          HD11      ILE  47  17.418  24.981  -6.993
  366   HD12  ILE  47          HD12      ILE  47  18.115  25.391  -8.590
  367   HD13  ILE  47          HD13      ILE  47  16.413  25.732  -8.236
  368    H    ALA  48           H        ALA  48  18.611  22.963 -12.299
  369    HA   ALA  48           HA       ALA  48  17.139  23.502 -14.583
  370    HB1  ALA  48           HB1      ALA  48  19.384  24.431 -14.124
  371    HB2  ALA  48           HB2      ALA  48  20.098  22.818 -14.392
  372    HB3  ALA  48           HB3      ALA  48  19.300  23.670 -15.728
  373    H    MET  49           H        MET  49  18.873  20.556 -13.648
  374    HA   MET  49           HA       MET  49  18.671  19.140 -16.106
  375    HB2  MET  49           HB2      MET  49  18.791  18.218 -13.194
  376    HB3  MET  49           HB3      MET  49  18.808  17.089 -14.539
  377    HG2  MET  49           HG2      MET  49  20.808  19.310 -14.091
  378    HG3  MET  49           HG3      MET  49  21.036  17.586 -13.773
  379    HE1  MET  49           HE1      MET  49  21.252  20.350 -16.780
  380    HE2  MET  49           HE2      MET  49  22.499  19.934 -15.585
  381    HE3  MET  49           HE3      MET  49  22.711  19.431 -17.271
  382    H    MET  50           H        MET  50  16.513  19.251 -13.292
  383    HA   MET  50           HA       MET  50  14.622  17.369 -14.416
  384    HB2  MET  50           HB2      MET  50  14.465  19.278 -12.037
  385    HB3  MET  50           HB3      MET  50  13.249  18.063 -12.458
  386    HG2  MET  50           HG2      MET  50  15.547  16.538 -12.583
  387    HG3  MET  50           HG3      MET  50  16.024  17.707 -11.391
  388    HE1  MET  50           HE1      MET  50  13.468  14.309 -11.679
  389    HE2  MET  50           HE2      MET  50  12.144  15.403 -11.245
  390    HE3  MET  50           HE3      MET  50  13.159  15.760 -12.662
  391    H    GLU  51           H        GLU  51  14.954  20.952 -14.341
  392    HA   GLU  51           HA       GLU  51  12.495  21.485 -15.656
  393    HB2  GLU  51           HB2      GLU  51  15.159  22.910 -15.468
  394    HB3  GLU  51           HB3      GLU  51  13.879  23.532 -16.514
  395    HG2  GLU  51           HG2      GLU  51  12.323  23.554 -14.551
  396    HG3  GLU  51           HG3      GLU  51  13.668  23.113 -13.502
  397    H    GLU  52           H        GLU  52  15.606  20.321 -16.962
  398    HA   GLU  52           HA       GLU  52  14.911  20.694 -19.687
  399    HB2  GLU  52           HB2      GLU  52  16.545  18.354 -18.669
  400    HB3  GLU  52           HB3      GLU  52  16.514  19.015 -20.291
  401    HG2  GLU  52           HG2      GLU  52  17.290  21.254 -18.961
  402    HG3  GLU  52           HG3      GLU  52  17.930  20.019 -17.873
  403    H    VAL  53           H        VAL  53  14.161  18.088 -17.375
  404    HA   VAL  53           HA       VAL  53  12.768  16.535 -19.458
  405    HB   VAL  53           HB       VAL  53  12.945  16.135 -16.453
  406   HG11  VAL  53          HG11      VAL  53  12.320  13.765 -16.957
  407   HG12  VAL  53          HG12      VAL  53  11.013  14.884 -17.330
  408   HG13  VAL  53          HG13      VAL  53  12.005  14.224 -18.646
  409   HG21  VAL  53          HG21      VAL  53  14.595  14.334 -17.155
  410   HG22  VAL  53          HG22      VAL  53  14.512  14.969 -18.807
  411   HG23  VAL  53          HG23      VAL  53  15.152  15.977 -17.497
  412    H    GLY  54           H        GLY  54  11.932  19.154 -17.346
  413    HA2  GLY  54           HA2      GLY  54   9.951  20.424 -17.663
  414    HA3  GLY  54           HA3      GLY  54   9.077  18.985 -18.202
  415    H    ILE  55           H        ILE  55  11.209  18.991 -15.391
  416    HA   ILE  55           HA       ILE  55   8.904  18.896 -13.493
  417    HB   ILE  55           HB       ILE  55  11.399  17.174 -13.417
  418   HG12  ILE  55          HG12      ILE  55   8.659  15.955 -13.823
  419   HG13  ILE  55          HG13      ILE  55   9.506  16.574 -15.228
  420   HG21  ILE  55          HG21      ILE  55  10.681  17.338 -11.148
  421   HG22  ILE  55          HG22      ILE  55   8.954  17.303 -11.606
  422   HG23  ILE  55          HG23      ILE  55   9.945  15.850 -11.689
  423   HD11  ILE  55          HD11      ILE  55  10.042  14.250 -15.002
  424   HD12  ILE  55          HD12      ILE  55  11.480  15.256 -14.734
  425   HD13  ILE  55          HD13      ILE  55  10.653  14.494 -13.352
  426    H    ASP  56           H        ASP  56  10.288  19.107 -11.106
  427    HA   ASP  56           HA       ASP  56  12.290  21.260 -11.299
  428    HB2  ASP  56           HB2      ASP  56  10.273  22.575 -11.403
  429    HB3  ASP  56           HB3      ASP  56   9.473  21.571 -10.185
  430    H    ILE  57           H        ILE  57  13.323  21.585  -9.269
  431    HA   ILE  57           HA       ILE  57  12.481  19.910  -7.015
  432    HB   ILE  57           HB       ILE  57  15.367  20.204  -7.020
  433   HG12  ILE  57          HG12      ILE  57  14.269  18.365  -9.151
  434   HG13  ILE  57          HG13      ILE  57  15.287  19.768  -9.431
  435   HG21  ILE  57          HG21      ILE  57  13.446  17.870  -6.671
  436   HG22  ILE  57          HG22      ILE  57  15.157  17.826  -6.243
  437   HG23  ILE  57          HG23      ILE  57  14.124  18.935  -5.400
  438   HD11  ILE  57          HD11      ILE  57  16.052  17.155  -8.151
  439   HD12  ILE  57          HD12      ILE  57  16.850  18.040  -9.459
  440   HD13  ILE  57          HD13      ILE  57  16.968  18.630  -7.790
  441    H    SER  58           H        SER  58  13.456  23.005  -8.151
  442    HA   SER  58           HA       SER  58  14.553  24.195  -5.875
  443    HB2  SER  58           HB2      SER  58  13.708  26.294  -6.730
  444    HB3  SER  58           HB3      SER  58  14.348  25.296  -8.038
  445    HG   SER  58           HG       SER  58  12.244  24.729  -8.618
  446    H    GLY  59           H        GLY  59  11.165  23.254  -6.477
  447    HA2  GLY  59           HA2      GLY  59  10.003  24.770  -4.350
  448    HA3  GLY  59           HA3      GLY  59   9.255  23.474  -5.290
  449    H    GLN  60           H        GLN  60  11.902  21.892  -4.096
  450    HA   GLN  60           HA       GLN  60  10.670  21.258  -1.506
  451    HB2  GLN  60           HB2      GLN  60  11.024  18.917  -1.896
  452    HB3  GLN  60           HB3      GLN  60  10.055  19.626  -3.198
  453    HG2  GLN  60           HG2      GLN  60  11.957  19.584  -4.722
  454    HG3  GLN  60           HG3      GLN  60  13.018  19.020  -3.429
  455   HE21  GLN  60          HE22      GLN  60  13.595  16.992  -4.087
  456   HE22  GLN  60          HE21      GLN  60  12.450  15.716  -4.466
  457    H    THR  61           H        THR  61  12.260  20.021  -0.058
  458    HA   THR  61           HA       THR  61  14.901  21.367  -0.195
  459    HB   THR  61           HB       THR  61  14.546  21.460   2.336
  460    HG1  THR  61           HG1      THR  61  12.480  21.164   3.076
  461   HG21  THR  61          HG21      THR  61  13.117  23.443   2.202
  462   HG22  THR  61          HG22      THR  61  14.218  23.403   0.813
  463   HG23  THR  61          HG23      THR  61  12.512  22.934   0.606
  464    H    SER  62           H        SER  62  16.546  20.465   1.242
  465    HA   SER  62           HA       SER  62  16.800  17.560   1.053
  466    HB2  SER  62           HB2      SER  62  18.572  19.770   2.183
  467    HB3  SER  62           HB3      SER  62  19.041  18.060   2.061
  468    HG   SER  62           HG       SER  62  18.844  18.160  -0.126
  469    H    ASP  63           H        ASP  63  17.264  16.212   2.882
  470    HA   ASP  63           HA       ASP  63  16.507  17.169   5.570
  471    HB2  ASP  63           HB2      ASP  63  14.420  16.398   4.045
  472    HB3  ASP  63           HB3      ASP  63  14.978  14.791   4.502
  473    HA   PRO  64           HA       PRO  64  19.511  13.928   6.243
  474    HB2  PRO  64           HB2      PRO  64  19.502  13.625   8.950
  475    HB3  PRO  64           HB3      PRO  64  20.066  15.125   8.163
  476    HG2  PRO  64           HG2      PRO  64  17.357  14.563   9.392
  477    HG3  PRO  64           HG3      PRO  64  18.388  16.011   9.602
  478    HD2  PRO  64           HD2      PRO  64  16.293  15.875   7.821
  479    HD3  PRO  64           HD3      PRO  64  17.741  16.887   7.529
  480    H    ILE  65           H        ILE  65  19.684  11.699   6.525
  481    HA   ILE  65           HA       ILE  65  17.477   9.995   6.327
  482    HB   ILE  65           HB       ILE  65  19.777   9.484   5.743
  483   HG12  ILE  65          HG12      ILE  65  18.505   7.422   7.573
  484   HG13  ILE  65          HG13      ILE  65  17.973   7.812   5.928
  485   HG21  ILE  65          HG21      ILE  65  20.293   8.925   8.701
  486   HG22  ILE  65          HG22      ILE  65  21.406   8.647   7.361
  487   HG23  ILE  65          HG23      ILE  65  20.970  10.297   7.790
  488   HD11  ILE  65          HD11      ILE  65  20.522   6.470   6.802
  489   HD12  ILE  65          HD12      ILE  65  19.359   6.009   5.531
  490   HD13  ILE  65          HD13      ILE  65  20.452   7.373   5.274
  491    H    GLU  66           H        GLU  66  19.088  11.224   9.217
  492    HA   GLU  66           HA       GLU  66  18.138   9.511  11.165
  493    HB2  GLU  66           HB2      GLU  66  18.651  12.498  11.494
  494    HB3  GLU  66           HB3      GLU  66  18.765  11.248  12.738
  495    HG2  GLU  66           HG2      GLU  66  20.639  10.198  11.351
  496    HG3  GLU  66           HG3      GLU  66  20.604  11.646  10.335
  497    H    ASN  67           H        ASN  67  16.304  11.943   9.451
  498    HA   ASN  67           HA       ASN  67  14.361  12.395  11.576
  499    HB2  ASN  67           HB2      ASN  67  15.070  14.111   9.872
  500    HB3  ASN  67           HB3      ASN  67  14.268  13.138   8.636
  501   HD21  ASN  67          HD22      ASN  67  12.818  14.793   8.123
  502   HD22  ASN  67          HD21      ASN  67  11.486  15.261   9.185
  503    H    PHE  68           H        PHE  68  14.821   9.746   9.425
  504    HA   PHE  68           HA       PHE  68  11.931   9.053   9.511
  505    HB2  PHE  68           HB2      PHE  68  14.038   8.342   7.445
  506    HB3  PHE  68           HB3      PHE  68  12.329   7.887   7.435
  507    HD1  PHE  68           HD2      PHE  68  10.607   9.454   6.773
  508    HD2  PHE  68           HD1      PHE  68  14.760  10.612   6.844
  509    HE1  PHE  68           HE2      PHE  68  10.044  11.567   5.576
  510    HE2  PHE  68           HE1      PHE  68  14.212  12.671   5.587
  511    HZ   PHE  68           HZ       PHE  68  11.851  13.176   4.980
  512    H    ASN  69           H        ASN  69  11.939   6.565   8.853
  513    HA   ASN  69           HA       ASN  69  13.889   4.973  10.384
  514    HB2  ASN  69           HB2      ASN  69  11.836   3.560  11.127
  515    HB3  ASN  69           HB3      ASN  69  12.291   4.988  12.047
  516   HD21  ASN  69          HD22      ASN  69  10.378   4.924   8.956
  517   HD22  ASN  69          HD21      ASN  69   8.944   5.623   9.690
  518    H    ALA  70           H        ALA  70  14.581   3.443   9.094
  519    HA   ALA  70           HA       ALA  70  13.837   3.047   6.476
  520    HB1  ALA  70           HB1      ALA  70  16.004   2.316   7.560
  521    HB2  ALA  70           HB2      ALA  70  15.135   0.976   8.330
  522    HB3  ALA  70           HB3      ALA  70  15.279   1.051   6.559
  523    H    ASP  71           H        ASP  71  12.386   1.542   9.300
  524    HA   ASP  71           HA       ASP  71  11.268  -0.759   8.152
  525    HB2  ASP  71           HB2      ASP  71  11.395  -0.327  10.562
  526    HB3  ASP  71           HB3      ASP  71  10.253   1.010  10.405
  527    H    ASP  72           H        ASP  72  10.323   2.591   7.673
  528    HA   ASP  72           HA       ASP  72   7.574   1.927   6.960
  529    HB2  ASP  72           HB2      ASP  72   8.137   3.976   8.209
  530    HB3  ASP  72           HB3      ASP  72   9.096   4.550   6.835
  531    H    TYR  73           H        TYR  73  10.645   1.900   5.415
  532    HA   TYR  73           HA       TYR  73   9.550   2.552   2.801
  533    HB2  TYR  73           HB2      TYR  73  12.370   2.584   3.892
  534    HB3  TYR  73           HB3      TYR  73  11.971   2.803   2.189
  535    HD1  TYR  73           HD2      TYR  73  10.654   4.748   1.419
  536    HD2  TYR  73           HD1      TYR  73  11.923   4.405   5.521
  537    HE1  TYR  73           HE2      TYR  73  10.052   7.108   1.787
  538    HE2  TYR  73           HE1      TYR  73  11.395   6.806   5.905
  539    HH   TYR  73           HH       TYR  73   9.998   8.847   3.258
  540    H    ASP  74           H        ASP  74   9.372   1.006   1.269
  541    HA   ASP  74           HA       ASP  74   9.801  -1.800   1.986
  542    HB2  ASP  74           HB2      ASP  74   7.886  -1.139   0.579
  543    HB3  ASP  74           HB3      ASP  74   8.976  -0.444  -0.613
  544    H    VAL  75           H        VAL  75  11.194   0.732  -0.106
  545    HA   VAL  75           HA       VAL  75  13.530  -1.027  -0.654
  546    HB   VAL  75           HB       VAL  75  12.174  -1.196  -2.495
  547   HG11  VAL  75          HG11      VAL  75  11.823   1.710  -2.855
  548   HG12  VAL  75          HG12      VAL  75  11.174   0.440  -3.864
  549   HG13  VAL  75          HG13      VAL  75  10.561   0.627  -2.219
  550   HG21  VAL  75          HG21      VAL  75  14.628  -0.587  -2.947
  551   HG22  VAL  75          HG22      VAL  75  13.503  -0.416  -4.309
  552   HG23  VAL  75          HG23      VAL  75  14.034   1.011  -3.392
  553    H    VAL  76           H        VAL  76  15.474  -0.188  -0.474
  554    HA   VAL  76           HA       VAL  76  15.671   2.732   0.068
  555    HB   VAL  76           HB       VAL  76  17.443   1.941   1.681
  556   HG11  VAL  76          HG11      VAL  76  15.777   1.681   3.470
  557   HG12  VAL  76          HG12      VAL  76  15.216   2.868   2.276
  558   HG13  VAL  76          HG13      VAL  76  14.536   1.236   2.281
  559   HG21  VAL  76          HG21      VAL  76  15.945  -0.700   1.525
  560   HG22  VAL  76          HG22      VAL  76  17.625  -0.439   1.039
  561   HG23  VAL  76          HG23      VAL  76  17.145  -0.268   2.737
  562    H    ILE  77           H        ILE  77  16.829   3.766  -1.312
  563    HA   ILE  77           HA       ILE  77  18.755   2.307  -2.983
  564    HB   ILE  77           HB       ILE  77  17.054   4.781  -3.489
  565   HG12  ILE  77          HG12      ILE  77  15.679   2.730  -3.311
  566   HG13  ILE  77          HG13      ILE  77  15.704   3.398  -4.907
  567   HG21  ILE  77          HG21      ILE  77  19.007   3.216  -5.142
  568   HG22  ILE  77          HG22      ILE  77  17.823   4.321  -5.892
  569   HG23  ILE  77          HG23      ILE  77  19.063   4.953  -4.799
  570   HD11  ILE  77          HD11      ILE  77  17.398   1.012  -3.973
  571   HD12  ILE  77          HD12      ILE  77  15.910   0.904  -4.931
  572   HD13  ILE  77          HD13      ILE  77  17.351   1.648  -5.626
  573    H    SER  78           H        SER  78  20.700   2.588  -2.333
  574    HA   SER  78           HA       SER  78  21.645   5.094  -1.111
  575    HB2  SER  78           HB2      SER  78  22.527   2.965  -0.332
  576    HB3  SER  78           HB3      SER  78  22.990   2.558  -2.001
  577    HG   SER  78           HG       SER  78  24.654   3.796  -1.907
  578    H    LEU  79           H        LEU  79  23.044   6.402  -2.284
  579    HA   LEU  79           HA       LEU  79  24.017   5.700  -4.909
  580    HB2  LEU  79           HB2      LEU  79  23.005   8.234  -5.516
  581    HB3  LEU  79           HB3      LEU  79  22.540   6.692  -6.155
  582    HG   LEU  79           HG       LEU  79  20.744   6.670  -4.178
  583   HD11  LEU  79          HD11      LEU  79  21.776   8.763  -3.175
  584   HD12  LEU  79          HD12      LEU  79  21.124   9.646  -4.554
  585   HD13  LEU  79          HD13      LEU  79  20.035   8.796  -3.445
  586   HD21  LEU  79          HD21      LEU  79  19.212   7.982  -5.687
  587   HD22  LEU  79          HD22      LEU  79  20.607   8.411  -6.685
  588   HD23  LEU  79          HD23      LEU  79  20.124   6.713  -6.525
  589    H    CYS  80           H        CYS  80  25.236   5.909  -2.434
  590    HA   CYS  80           HA       CYS  80  25.968   8.519  -1.635
  591    HB2  CYS  80           HB2      CYS  80  27.417   5.890  -1.179
  592    HB3  CYS  80           HB3      CYS  80  27.754   7.425  -0.349
  593    HG   CYS  80           HG       CYS  80  25.063   5.492  -0.288
  594    H    GLY  81           H        GLY  81  27.809   6.319  -3.777
  595    HA2  GLY  81           HA2      GLY  81  29.117   7.181  -5.637
  596    HA3  GLY  81           HA3      GLY  81  29.291   8.724  -4.797
  597    H    CYS  82           H        CYS  82  31.562   7.472  -5.619
  598    HA   CYS  82           HA       CYS  82  33.326   6.138  -5.260
  599    HB2  CYS  82           HB2      CYS  82  34.727   6.952  -3.373
  600    HB3  CYS  82           HB3      CYS  82  34.135   8.171  -4.507
  601    HG   CYS  82           HG       CYS  82  34.232   9.190  -2.112
  602    H    GLY  83           H        GLY  83  31.070   4.643  -4.491
  603    HA2  GLY  83           HA2      GLY  83  30.681   2.584  -3.705
  604    HA3  GLY  83           HA3      GLY  83  32.425   2.452  -3.326
  605    H    VAL  84           H        VAL  84  30.684   5.027  -1.784
  606    HA   VAL  84           HA       VAL  84  30.849   3.878   0.852
  607    HB   VAL  84           HB       VAL  84  29.675   6.394  -0.251
  608   HG11  VAL  84          HG11      VAL  84  29.576   7.256   2.083
  609   HG12  VAL  84          HG12      VAL  84  28.443   5.936   1.821
  610   HG13  VAL  84          HG13      VAL  84  29.973   5.633   2.682
  611   HG21  VAL  84          HG21      VAL  84  32.118   6.330  -0.369
  612   HG22  VAL  84          HG22      VAL  84  31.615   7.474   0.872
  613   HG23  VAL  84          HG23      VAL  84  32.209   5.871   1.344
  614    H    ASN  85           H        ASN  85  28.904   3.574   2.165
  615    HA   ASN  85           HA       ASN  85  26.490   2.614   0.770
  616    HB2  ASN  85           HB2      ASN  85  28.419   0.796   0.924
  617    HB3  ASN  85           HB3      ASN  85  27.969   0.715   2.621
  618   HD21  ASN  85          HD22      ASN  85  27.012  -0.040  -0.697
  619   HD22  ASN  85          HD21      ASN  85  25.587  -0.958  -0.269
  620    H    LEU  86           H        LEU  86  25.276   1.329   2.915
  621    HA   LEU  86           HA       LEU  86  24.879   3.626   4.797
  622    HB2  LEU  86           HB2      LEU  86  22.825   1.697   3.672
  623    HB3  LEU  86           HB3      LEU  86  22.526   3.055   4.757
  624    HG   LEU  86           HG       LEU  86  23.377   3.139   1.836
  625   HD11  LEU  86          HD11      LEU  86  21.192   4.116   1.447
  626   HD12  LEU  86          HD12      LEU  86  20.973   2.615   2.347
  627   HD13  LEU  86          HD13      LEU  86  20.848   4.166   3.190
  628   HD21  LEU  86          HD21      LEU  86  23.128   5.598   1.954
  629   HD22  LEU  86          HD22      LEU  86  22.937   5.491   3.720
  630   HD23  LEU  86          HD23      LEU  86  24.470   5.030   2.939
  631    HA   PRO  87           HA       PRO  87  26.083   0.148   7.539
  632    HB2  PRO  87           HB2      PRO  87  25.961   2.434   9.495
  633    HB3  PRO  87           HB3      PRO  87  27.145   1.104   9.374
  634    HG2  PRO  87           HG2      PRO  87  27.740   3.587   8.431
  635    HG3  PRO  87           HG3      PRO  87  28.230   2.120   7.523
  636    HD2  PRO  87           HD2      PRO  87  25.884   3.951   7.002
  637    HD3  PRO  87           HD3      PRO  87  27.023   3.195   5.848
  638    HA   PRO  88           HA       PRO  88  22.268   0.848  10.299
  639    HB2  PRO  88           HB2      PRO  88  20.390   2.793   9.841
  640    HB3  PRO  88           HB3      PRO  88  21.907   3.064  10.730
  641    HG2  PRO  88           HG2      PRO  88  21.399   3.649   7.785
  642    HG3  PRO  88           HG3      PRO  88  22.092   4.729   9.034
  643    HD2  PRO  88           HD2      PRO  88  23.523   3.289   7.282
  644    HD3  PRO  88           HD3      PRO  88  24.110   3.585   8.952
  645    H    GLU  89           H        GLU  89  19.689   0.702  10.063
  646    HA   GLU  89           HA       GLU  89  19.075  -1.586   8.707
  647    HB2  GLU  89           HB2      GLU  89  17.311   0.697   9.697
  648    HB3  GLU  89           HB3      GLU  89  16.663  -0.823   9.106
  649    HG2  GLU  89           HG2      GLU  89  16.671  -0.885  11.460
  650    HG3  GLU  89           HG3      GLU  89  17.798  -2.087  10.829
  651    H    TRP  90           H        TRP  90  19.323   1.446   7.215
  652    HA   TRP  90           HA       TRP  90  17.519   1.151   5.028
  653    HB2  TRP  90           HB2      TRP  90  20.048   2.791   5.331
  654    HB3  TRP  90           HB3      TRP  90  18.779   3.052   4.134
  655    HD1  TRP  90           HD1      TRP  90  19.426   3.421   7.895
  656    HE1  TRP  90           HE1      TRP  90  17.898   5.128   8.888
  657    HE3  TRP  90           HE3      TRP  90  16.323   3.964   3.911
  658    HZ2  TRP  90           HZ2      TRP  90  15.318   6.358   8.155
  659    HZ3  TRP  90           HZ3      TRP  90  14.197   5.219   4.160
  660    HH2  TRP  90           HH2      TRP  90  13.700   6.423   6.251
  661    H    VAL  91           H        VAL  91  19.942  -0.890   5.780
  662    HA   VAL  91           HA       VAL  91  20.323  -1.559   2.938
  663    HB   VAL  91           HB       VAL  91  22.342  -0.753   4.209
  664   HG11  VAL  91          HG11      VAL  91  22.399  -3.541   5.424
  665   HG12  VAL  91          HG12      VAL  91  23.552  -2.217   5.669
  666   HG13  VAL  91          HG13      VAL  91  21.916  -2.086   6.322
  667   HG21  VAL  91          HG21      VAL  91  22.618  -3.477   2.907
  668   HG22  VAL  91          HG22      VAL  91  22.565  -1.909   2.077
  669   HG23  VAL  91          HG23      VAL  91  23.900  -2.281   3.170
  670    H    THR  92           H        THR  92  18.432  -2.424   5.491
  671    HA   THR  92           HA       THR  92  18.446  -5.286   4.747
  672    HB   THR  92           HB       THR  92  18.005  -5.725   7.204
  673    HG1  THR  92           HG1      THR  92  17.414  -3.729   7.940
  674   HG21  THR  92          HG21      THR  92  20.658  -4.316   6.755
  675   HG22  THR  92          HG22      THR  92  20.285  -5.598   7.918
  676   HG23  THR  92          HG23      THR  92  20.299  -5.964   6.184
  677    H    GLN  93           H        GLN  93  16.747  -3.183   3.711
  678    HA   GLN  93           HA       GLN  93  14.073  -4.078   4.707
  679    HB2  GLN  93           HB2      GLN  93  14.601  -1.887   2.688
  680    HB3  GLN  93           HB3      GLN  93  13.081  -2.301   3.462
  681    HG2  GLN  93           HG2      GLN  93  15.508  -1.041   4.774
  682    HG3  GLN  93           HG3      GLN  93  13.932  -0.314   4.518
  683   HE21  GLN  93          HE22      GLN  93  15.815  -1.511   6.921
  684   HE22  GLN  93          HE21      GLN  93  14.587  -2.157   7.999
  685    H    GLU  94           H        GLU  94  12.634  -3.929   2.309
  686    HA   GLU  94           HA       GLU  94  13.116  -6.597   1.487
  687    HB2  GLU  94           HB2      GLU  94  11.323  -4.533   0.174
  688    HB3  GLU  94           HB3      GLU  94  11.230  -6.273  -0.040
  689    HG2  GLU  94           HG2      GLU  94  10.666  -4.749   2.540
  690    HG3  GLU  94           HG3      GLU  94   9.479  -5.482   1.473
  691    H    ILE  95           H        ILE  95  14.031  -3.508   0.011
  692    HA   ILE  95           HA       ILE  95  15.630  -5.027  -2.011
  693    HB   ILE  95           HB       ILE  95  13.845  -2.662  -2.453
  694   HG12  ILE  95          HG12      ILE  95  13.777  -5.565  -3.347
  695   HG13  ILE  95          HG13      ILE  95  12.511  -4.611  -2.560
  696   HG21  ILE  95          HG21      ILE  95  14.726  -2.634  -4.804
  697   HG22  ILE  95          HG22      ILE  95  16.037  -2.385  -3.687
  698   HG23  ILE  95          HG23      ILE  95  15.809  -3.988  -4.416
  699   HD11  ILE  95          HD11      ILE  95  13.448  -4.487  -5.428
  700   HD12  ILE  95          HD12      ILE  95  11.845  -4.944  -4.817
  701   HD13  ILE  95          HD13      ILE  95  12.392  -3.247  -4.702
  702    H    PHE  96           H        PHE  96  17.699  -4.114  -2.192
  703    HA   PHE  96           HA       PHE  96  18.178  -1.428  -1.218
  704    HB2  PHE  96           HB2      PHE  96  19.011  -2.703   0.671
  705    HB3  PHE  96           HB3      PHE  96  19.841  -3.838  -0.401
  706    HD1  PHE  96           HD1      PHE  96  19.833  -0.342   0.874
  707    HD2  PHE  96           HD2      PHE  96  21.937  -3.215  -1.553
  708    HE1  PHE  96           HE1      PHE  96  21.764   1.185   0.742
  709    HE2  PHE  96           HE2      PHE  96  23.803  -1.609  -1.828
  710    HZ   PHE  96           HZ       PHE  96  23.752   0.576  -0.617
  711    H    GLU  97           H        GLU  97  19.404  -0.389  -2.703
  712    HA   GLU  97           HA       GLU  97  21.214  -1.877  -4.458
  713    HB2  GLU  97           HB2      GLU  97  18.953  -0.114  -5.516
  714    HB3  GLU  97           HB3      GLU  97  20.460  -0.316  -6.400
  715    HG2  GLU  97           HG2      GLU  97  20.186  -2.779  -6.328
  716    HG3  GLU  97           HG3      GLU  97  18.602  -2.581  -5.560
  717    H    ASP  98           H        ASP  98  22.893  -0.557  -5.135
  718    HA   ASP  98           HA       ASP  98  22.975   2.195  -4.094
  719    HB2  ASP  98           HB2      ASP  98  24.582   0.941  -2.780
  720    HB3  ASP  98           HB3      ASP  98  25.326   0.302  -4.253
  721    H    TRP  99           H        TRP  99  23.102   3.670  -5.652
  722    HA   TRP  99           HA       TRP  99  23.996   2.829  -8.371
  723    HB2  TRP  99           HB2      TRP  99  22.178   5.125  -7.700
  724    HB3  TRP  99           HB3      TRP  99  22.676   4.603  -9.276
  725    HD1  TRP  99           HD1      TRP  99  20.641   3.600  -6.339
  726    HE1  TRP  99           HE1      TRP  99  18.663   2.101  -7.009
  727    HE3  TRP  99           HE3      TRP  99  22.433   1.904 -10.741
  728    HZ2  TRP  99           HZ2      TRP  99  17.736   0.754  -9.456
  729    HZ3  TRP  99           HZ3      TRP  99  21.132   0.272 -12.077
  730    HH2  TRP  99           HH2      TRP  99  18.771  -0.241 -11.499
  731    H    GLN 100           H        GLN 100  26.085   2.963  -7.856
  732    HA   GLN 100           HA       GLN 100  27.510   5.278  -7.020
  733    HB2  GLN 100           HB2      GLN 100  28.444   2.947  -7.366
  734    HB3  GLN 100           HB3      GLN 100  28.415   3.240  -9.111
  735    HG2  GLN 100           HG2      GLN 100  29.953   5.170  -8.808
  736    HG3  GLN 100           HG3      GLN 100  29.930   4.925  -7.057
  737   HE21  GLN 100          HE22      GLN 100  30.570   2.527  -6.373
  738   HE22  GLN 100          HE21      GLN 100  31.970   1.897  -7.198
  739    H    LEU 101           H        LEU 101  27.762   7.226  -8.013
  740    HA   LEU 101           HA       LEU 101  27.018   7.696 -10.833
  741    HB2  LEU 101           HB2      LEU 101  25.556   8.569  -8.308
  742    HB3  LEU 101           HB3      LEU 101  25.496   9.596  -9.737
  743    HG   LEU 101           HG       LEU 101  24.535   6.707  -9.710
  744   HD11  LEU 101          HD11      LEU 101  23.009   9.296  -9.389
  745   HD12  LEU 101          HD12      LEU 101  22.291   7.669  -9.598
  746   HD13  LEU 101          HD13      LEU 101  23.245   8.040  -8.161
  747   HD21  LEU 101          HD21      LEU 101  23.324   7.430 -11.775
  748   HD22  LEU 101          HD22      LEU 101  24.328   8.889 -11.794
  749   HD23  LEU 101          HD23      LEU 101  25.080   7.305 -11.946
  750    H    GLU 102           H        GLU 102  27.709   9.852 -11.464
  751    HA   GLU 102           HA       GLU 102  30.059  10.695 -10.048
  752    HB2  GLU 102           HB2      GLU 102  28.845  11.516 -12.716
  753    HB3  GLU 102           HB3      GLU 102  30.332  12.225 -12.087
  754    HG2  GLU 102           HG2      GLU 102  29.951   9.242 -12.507
  755    HG3  GLU 102           HG3      GLU 102  30.637  10.330 -13.717
  756    H    ASP 103           H        ASP 103  28.587  11.104  -8.311
  757    HA   ASP 103           HA       ASP 103  27.196  12.743  -7.121
  758    HB2  ASP 103           HB2      ASP 103  28.890  12.019  -5.834
  759    HB3  ASP 103           HB3      ASP 103  30.155  12.697  -6.859
  760    HA   PRO 104           HA       PRO 104  27.413  16.061 -10.184
  761    HB2  PRO 104           HB2      PRO 104  24.681  16.721  -9.189
  762    HB3  PRO 104           HB3      PRO 104  25.350  16.687 -10.862
  763    HG2  PRO 104           HG2      PRO 104  23.890  14.599  -9.922
  764    HG3  PRO 104           HG3      PRO 104  25.340  14.373 -10.957
  765    HD2  PRO 104           HD2      PRO 104  25.032  13.927  -8.018
  766    HD3  PRO 104           HD3      PRO 104  26.030  13.049  -9.207
  767    H    ASP 105           H        ASP 105  27.425  16.470  -6.804
  768    HA   ASP 105           HA       ASP 105  26.819  19.244  -6.546
  769    HB2  ASP 105           HB2      ASP 105  26.820  17.553  -4.717
  770    HB3  ASP 105           HB3      ASP 105  28.579  17.523  -4.762
  771    H    GLY 106           H        GLY 106  27.829  20.422  -8.084
  772    HA2  GLY 106           HA2      GLY 106  29.387  22.210  -8.175
  773    HA3  GLY 106           HA3      GLY 106  30.645  21.169  -7.503
  774    H    GLN 107           H        GLN 107  28.669  19.747 -10.054
  775    HA   GLN 107           HA       GLN 107  31.139  19.576 -11.651
  776    HB2  GLN 107           HB2      GLN 107  28.510  18.127 -12.040
  777    HB3  GLN 107           HB3      GLN 107  30.089  17.704 -12.713
  778    HG2  GLN 107           HG2      GLN 107  29.452  17.647  -9.748
  779    HG3  GLN 107           HG3      GLN 107  29.295  16.292 -10.864
  780   HE21  GLN 107          HE22      GLN 107  30.684  15.356  -9.135
  781   HE22  GLN 107          HE21      GLN 107  32.418  15.390  -9.445
  782    H    SER 108           H        SER 108  30.622  19.158 -14.078
  783    HA   SER 108           HA       SER 108  29.720  21.641 -15.318
  784    HB2  SER 108           HB2      SER 108  30.695  18.955 -16.390
  785    HB3  SER 108           HB3      SER 108  30.520  20.443 -17.352
  786    HG   SER 108           HG       SER 108  32.679  20.112 -16.645
  787    H    LEU 109           H        LEU 109  27.995  21.677 -16.968
  788    HA   LEU 109           HA       LEU 109  25.610  20.409 -16.189
  789    HB2  LEU 109           HB2      LEU 109  26.322  21.449 -18.961
  790    HB3  LEU 109           HB3      LEU 109  24.695  21.044 -18.412
  791    HG   LEU 109           HG       LEU 109  26.456  23.218 -17.208
  792   HD11  LEU 109          HD11      LEU 109  25.733  23.761 -19.507
  793   HD12  LEU 109          HD12      LEU 109  24.042  23.440 -19.066
  794   HD13  LEU 109          HD13      LEU 109  24.919  24.800 -18.329
  795   HD21  LEU 109          HD21      LEU 109  24.878  22.381 -15.540
  796   HD22  LEU 109          HD22      LEU 109  24.349  23.969 -16.090
  797   HD23  LEU 109          HD23      LEU 109  23.529  22.512 -16.691
  798    H    GLU 110           H        GLU 110  28.045  19.313 -18.542
  799    HA   GLU 110           HA       GLU 110  26.404  17.264 -19.623
  800    HB2  GLU 110           HB2      GLU 110  29.411  17.575 -19.543
  801    HB3  GLU 110           HB3      GLU 110  28.561  16.349 -20.503
  802    HG2  GLU 110           HG2      GLU 110  28.231  19.366 -20.767
  803    HG3  GLU 110           HG3      GLU 110  29.144  18.336 -21.864
  804    H    VAL 111           H        VAL 111  28.530  17.355 -16.766
  805    HA   VAL 111           HA       VAL 111  28.390  14.510 -16.203
  806    HB   VAL 111           HB       VAL 111  28.941  16.894 -14.424
  807   HG11  VAL 111          HG11      VAL 111  28.168  15.187 -12.923
  808   HG12  VAL 111          HG12      VAL 111  29.072  13.924 -13.796
  809   HG13  VAL 111          HG13      VAL 111  29.931  15.147 -12.848
  810   HG21  VAL 111          HG21      VAL 111  30.820  14.821 -15.636
  811   HG22  VAL 111          HG22      VAL 111  30.674  16.510 -16.160
  812   HG23  VAL 111          HG23      VAL 111  31.294  16.142 -14.548
  813    H    PHE 112           H        PHE 112  26.543  17.433 -15.204
  814    HA   PHE 112           HA       PHE 112  24.658  16.102 -13.547
  815    HB2  PHE 112           HB2      PHE 112  24.637  18.683 -15.116
  816    HB3  PHE 112           HB3      PHE 112  23.156  18.048 -14.449
  817    HD1  PHE 112           HD1      PHE 112  22.623  17.964 -12.130
  818    HD2  PHE 112           HD2      PHE 112  26.393  19.512 -13.554
  819    HE1  PHE 112           HE1      PHE 112  23.046  18.998  -9.912
  820    HE2  PHE 112           HE2      PHE 112  26.809  20.522 -11.335
  821    HZ   PHE 112           HZ       PHE 112  25.183  20.212  -9.526
  822    H    ARG 113           H        ARG 113  24.362  16.913 -17.083
  823    HA   ARG 113           HA       ARG 113  21.974  15.537 -17.553
  824    HB2  ARG 113           HB2      ARG 113  24.387  16.187 -19.275
  825    HB3  ARG 113           HB3      ARG 113  23.043  15.260 -19.950
  826    HG2  ARG 113           HG2      ARG 113  21.514  16.991 -19.769
  827    HG3  ARG 113           HG3      ARG 113  22.406  17.792 -18.474
  828    HD2  ARG 113           HD2      ARG 113  24.024  18.672 -19.859
  829    HD3  ARG 113           HD3      ARG 113  23.478  17.720 -21.275
  830    HE   ARG 113           HE       ARG 113  21.277  19.231 -20.389
  831   HH11  ARG 113          HH11      ARG 113  24.536  19.844 -21.748
  832   HH12  ARG 113          HH12      ARG 113  24.097  21.383 -22.418
  833   HH21  ARG 113          HH21      ARG 113  20.702  21.215 -21.301
  834   HH22  ARG 113          HH22      ARG 113  21.855  22.185 -22.176
  835    H    THR 114           H        THR 114  25.333  14.122 -17.591
  836    HA   THR 114           HA       THR 114  24.515  11.580 -18.480
  837    HB   THR 114           HB       THR 114  26.840  12.460 -16.697
  838    HG1  THR 114           HG1      THR 114  26.941  13.527 -18.619
  839   HG21  THR 114          HG21      THR 114  27.970  10.461 -17.602
  840   HG22  THR 114          HG22      THR 114  26.561  10.058 -16.604
  841   HG23  THR 114          HG23      THR 114  26.439   9.970 -18.380
  842    H    VAL 115           H        VAL 115  25.045  12.843 -15.103
  843    HA   VAL 115           HA       VAL 115  24.162  10.449 -13.885
  844    HB   VAL 115           HB       VAL 115  24.442  13.258 -12.901
  845   HG11  VAL 115          HG11      VAL 115  22.799  12.421 -11.395
  846   HG12  VAL 115          HG12      VAL 115  23.534  10.816 -11.348
  847   HG13  VAL 115          HG13      VAL 115  24.332  12.161 -10.550
  848   HG21  VAL 115          HG21      VAL 115  26.534  12.085 -13.460
  849   HG22  VAL 115          HG22      VAL 115  26.405  12.298 -11.715
  850   HG23  VAL 115          HG23      VAL 115  26.051  10.713 -12.441
  851    H    ARG 116           H        ARG 116  22.304  13.433 -14.772
  852    HA   ARG 116           HA       ARG 116  19.878  12.663 -13.590
  853    HB2  ARG 116           HB2      ARG 116  20.343  14.901 -14.691
  854    HB3  ARG 116           HB3      ARG 116  20.248  14.099 -16.263
  855    HG2  ARG 116           HG2      ARG 116  17.880  13.239 -15.176
  856    HG3  ARG 116           HG3      ARG 116  18.128  14.676 -14.214
  857    HD2  ARG 116           HD2      ARG 116  16.598  14.764 -16.216
  858    HD3  ARG 116           HD3      ARG 116  17.757  16.076 -16.083
  859    HE   ARG 116           HE       ARG 116  18.111  13.696 -17.888
  860   HH11  ARG 116          HH11      ARG 116  18.118  17.206 -17.494
  861   HH12  ARG 116          HH12      ARG 116  19.074  17.540 -18.901
  862   HH21  ARG 116          HH21      ARG 116  19.249  14.115 -19.871
  863   HH22  ARG 116          HH22      ARG 116  19.548  15.739 -20.360
  864    H    GLY 117           H        GLY 117  21.181  11.881 -16.861
  865    HA2  GLY 117           HA2      GLY 117  18.911  10.417 -17.722
  866    HA3  GLY 117           HA3      GLY 117  20.572  10.248 -18.361
  867    H    GLN 118           H        GLN 118  21.918   9.349 -16.029
  868    HA   GLN 118           HA       GLN 118  21.307   6.580 -15.997
  869    HB2  GLN 118           HB2      GLN 118  22.987   8.339 -14.166
  870    HB3  GLN 118           HB3      GLN 118  22.924   6.580 -14.039
  871    HG2  GLN 118           HG2      GLN 118  23.850   6.292 -16.247
  872    HG3  GLN 118           HG3      GLN 118  23.781   8.016 -16.582
  873   HE21  GLN 118          HE22      GLN 118  26.083   5.885 -16.251
  874   HE22  GLN 118          HE21      GLN 118  27.232   6.759 -15.269
  875    H    VAL 119           H        VAL 119  20.981   8.980 -13.386
  876    HA   VAL 119           HA       VAL 119  19.507   7.624 -11.516
  877    HB   VAL 119           HB       VAL 119  19.334  10.574 -12.301
  878   HG11  VAL 119          HG11      VAL 119  18.426  10.945 -10.017
  879   HG12  VAL 119          HG12      VAL 119  17.301  10.075 -11.067
  880   HG13  VAL 119          HG13      VAL 119  18.217   9.185  -9.840
  881   HG21  VAL 119          HG21      VAL 119  21.553   9.561 -11.341
  882   HG22  VAL 119          HG22      VAL 119  20.858  10.930 -10.465
  883   HG23  VAL 119          HG23      VAL 119  20.636   9.282  -9.858
  884    H    LYS 120           H        LYS 120  18.007   9.446 -14.336
  885    HA   LYS 120           HA       LYS 120  15.397   8.805 -13.432
  886    HB2  LYS 120           HB2      LYS 120  15.869  10.627 -15.029
  887    HB3  LYS 120           HB3      LYS 120  16.451   9.460 -16.228
  888    HG2  LYS 120           HG2      LYS 120  14.188   8.464 -16.387
  889    HG3  LYS 120           HG3      LYS 120  13.608   9.579 -15.134
  890    HD2  LYS 120           HD2      LYS 120  12.898  10.478 -17.227
  891    HD3  LYS 120           HD3      LYS 120  14.209  11.524 -16.666
  892    HE2  LYS 120           HE2      LYS 120  15.802  10.368 -18.166
  893    HE3  LYS 120           HE3      LYS 120  14.558   9.201 -18.628
  894    HZ1  LYS 120           HZ1      LYS 120  13.317  11.010 -19.656
  895    HZ2  LYS 120           HZ2      LYS 120  14.467  12.101 -19.239
  896    HZ3  LYS 120           HZ3      LYS 120  14.807  10.911 -20.298
  897    H    GLU 121           H        GLU 121  17.520   7.148 -15.758
  898    HA   GLU 121           HA       GLU 121  15.712   5.091 -16.485
  899    HB2  GLU 121           HB2      GLU 121  17.487   5.010 -17.912
  900    HB3  GLU 121           HB3      GLU 121  18.552   5.792 -16.741
  901    HG2  GLU 121           HG2      GLU 121  19.261   3.890 -15.739
  902    HG3  GLU 121           HG3      GLU 121  18.027   2.856 -16.506
  903    H    ARG 122           H        ARG 122  18.022   5.455 -13.807
  904    HA   ARG 122           HA       ARG 122  17.785   2.737 -12.865
  905    HB2  ARG 122           HB2      ARG 122  18.907   5.295 -11.659
  906    HB3  ARG 122           HB3      ARG 122  18.984   3.729 -10.846
  907    HG2  ARG 122           HG2      ARG 122  20.261   2.744 -12.658
  908    HG3  ARG 122           HG3      ARG 122  20.018   4.098 -13.699
  909    HD2  ARG 122           HD2      ARG 122  21.368   5.554 -12.298
  910    HD3  ARG 122           HD3      ARG 122  21.595   4.239 -11.135
  911    HE   ARG 122           HE       ARG 122  22.373   3.556 -13.863
  912   HH11  ARG 122          HH11      ARG 122  23.577   5.007 -10.876
  913   HH12  ARG 122          HH12      ARG 122  25.245   4.668 -11.188
  914   HH21  ARG 122          HH21      ARG 122  24.585   3.081 -14.305
  915   HH22  ARG 122          HH22      ARG 122  25.812   3.537 -13.188
  916    H    VAL 123           H        VAL 123  16.228   5.833 -11.671
  917    HA   VAL 123           HA       VAL 123  14.477   4.664  -9.880
  918    HB   VAL 123           HB       VAL 123  14.114   6.985 -11.805
  919   HG11  VAL 123          HG11      VAL 123  11.888   6.229 -11.066
  920   HG12  VAL 123          HG12      VAL 123  12.430   6.228  -9.378
  921   HG13  VAL 123          HG13      VAL 123  12.357   7.748 -10.309
  922   HG21  VAL 123          HG21      VAL 123  14.740   6.968  -8.822
  923   HG22  VAL 123          HG22      VAL 123  15.952   7.231 -10.069
  924   HG23  VAL 123          HG23      VAL 123  14.626   8.382  -9.880
  925    H    GLU 124           H        GLU 124  13.949   4.961 -13.503
  926    HA   GLU 124           HA       GLU 124  11.461   3.619 -13.419
  927    HB2  GLU 124           HB2      GLU 124  13.552   3.772 -15.635
  928    HB3  GLU 124           HB3      GLU 124  11.973   3.016 -15.838
  929    HG2  GLU 124           HG2      GLU 124  10.877   5.167 -15.236
  930    HG3  GLU 124           HG3      GLU 124  12.467   5.935 -15.164
  931    H    ASN 125           H        ASN 125  14.743   2.338 -13.606
  932    HA   ASN 125           HA       ASN 125  14.081  -0.370 -14.120
  933    HB2  ASN 125           HB2      ASN 125  16.396   0.938 -14.154
  934    HB3  ASN 125           HB3      ASN 125  16.505   0.430 -12.474
  935   HD21  ASN 125          HD22      ASN 125  16.692  -0.494 -15.806
  936   HD22  ASN 125          HD21      ASN 125  17.119  -2.173 -15.561
  937    H    LEU 126           H        LEU 126  14.639   1.405 -11.092
  938    HA   LEU 126           HA       LEU 126  14.152  -0.868  -9.462
  939    HB2  LEU 126           HB2      LEU 126  14.880   0.258  -7.739
  940    HB3  LEU 126           HB3      LEU 126  15.471   1.337  -8.989
  941    HG   LEU 126           HG       LEU 126  13.087   2.505  -8.593
  942   HD11  LEU 126          HD11      LEU 126  13.710   1.490  -5.804
  943   HD12  LEU 126          HD12      LEU 126  12.275   2.374  -6.370
  944   HD13  LEU 126          HD13      LEU 126  12.526   0.684  -6.834
  945   HD21  LEU 126          HD21      LEU 126  15.267   3.596  -8.361
  946   HD22  LEU 126          HD22      LEU 126  14.300   3.943  -6.905
  947   HD23  LEU 126          HD23      LEU 126  15.592   2.713  -6.902
  948    H    ILE 127           H        ILE 127  12.016   1.799 -10.440
  949    HA   ILE 127           HA       ILE 127   9.643   0.983  -9.149
  950    HB   ILE 127           HB       ILE 127  10.198   2.273 -11.841
  951   HG12  ILE 127          HG12      ILE 127   8.739   3.384  -9.404
  952   HG13  ILE 127          HG13      ILE 127  10.483   3.562  -9.619
  953   HG21  ILE 127          HG21      ILE 127   7.505   1.548 -10.632
  954   HG22  ILE 127          HG22      ILE 127   7.696   2.731 -11.951
  955   HG23  ILE 127          HG23      ILE 127   8.156   1.055 -12.205
  956   HD11  ILE 127          HD11      ILE 127   8.296   4.779 -11.378
  957   HD12  ILE 127          HD12      ILE 127   9.452   5.609 -10.344
  958   HD13  ILE 127          HD13      ILE 127  10.021   4.778 -11.801
  959    H    ALA 128           H        ALA 128  11.238  -0.356 -12.106
  960    HA   ALA 128           HA       ALA 128   8.991  -1.898 -12.888
  961    HB1  ALA 128           HB1      ALA 128  10.929  -1.372 -14.369
  962    HB2  ALA 128           HB2      ALA 128  11.926  -2.513 -13.437
  963    HB3  ALA 128           HB3      ALA 128  10.528  -3.101 -14.349
  964    H    LYS 129           H        LYS 129  11.509  -2.518 -10.527
  965    HA   LYS 129           HA       LYS 129  11.081  -5.316 -10.159
  966    HB2  LYS 129           HB2      LYS 129  12.329  -3.194  -8.416
  967    HB3  LYS 129           HB3      LYS 129  12.433  -4.934  -8.100
  968    HG2  LYS 129           HG2      LYS 129  13.652  -5.292 -10.195
  969    HG3  LYS 129           HG3      LYS 129  13.403  -3.613 -10.673
  970    HD2  LYS 129           HD2      LYS 129  14.615  -3.098  -8.366
  971    HD3  LYS 129           HD3      LYS 129  15.277  -4.720  -8.610
  972    HE2  LYS 129           HE2      LYS 129  15.400  -2.350 -10.544
  973    HE3  LYS 129           HE3      LYS 129  16.733  -2.885  -9.523
  974    HZ1  LYS 129           HZ1      LYS 129  16.926  -4.858 -10.821
  975    HZ2  LYS 129           HZ2      LYS 129  15.524  -4.579 -11.631
  976    HZ3  LYS 129           HZ3      LYS 129  16.795  -3.601 -11.879
  977    H    ILE 130           H        ILE 130   9.927  -2.367  -8.463
  978    HA   ILE 130           HA       ILE 130   8.473  -3.886  -6.508
  979    HB   ILE 130           HB       ILE 130   7.790  -1.541  -5.776
  980   HG12  ILE 130          HG12      ILE 130   9.662  -0.693  -7.895
  981   HG13  ILE 130          HG13      ILE 130   8.017  -0.158  -7.601
  982   HG21  ILE 130          HG21      ILE 130   9.867  -1.322  -4.551
  983   HG22  ILE 130          HG22      ILE 130   9.658  -3.035  -4.849
  984   HG23  ILE 130          HG23      ILE 130  10.782  -2.098  -5.868
  985   HD11  ILE 130          HD11      ILE 130   8.872   0.941  -5.476
  986   HD12  ILE 130          HD12      ILE 130  10.510   0.462  -5.967
  987   HD13  ILE 130          HD13      ILE 130   9.617   1.584  -6.968
  988    H    SER 131           H        SER 131   7.644  -2.173  -9.393
  989    HA   SER 131           HA       SER 131   5.011  -1.573  -9.253
  990    HB2  SER 131           HB2      SER 131   6.500  -2.885 -11.562
  991    HB3  SER 131           HB3      SER 131   4.875  -2.188 -11.703
  992    HG   SER 131           HG       SER 131   7.291  -0.894 -10.950
  Start of MODEL   17
    1    H    MET   1           H        MET   1   1.577  -1.577  -3.236
    2    HA   MET   1           HA       MET   1   2.462   0.445  -4.112
    3    HB2  MET   1           HB2      MET   1   0.810   1.989  -3.308
    4    HB3  MET   1           HB3      MET   1   1.213   1.670  -1.617
    5    HG2  MET   1           HG2      MET   1   3.304   2.791  -1.783
    6    HG3  MET   1           HG3      MET   1   3.233   2.855  -3.536
    7    HE1  MET   1           HE1      MET   1   0.499   3.967  -4.468
    8    HE2  MET   1           HE2      MET   1   0.796   5.713  -4.379
    9    HE3  MET   1           HE3      MET   1   2.070   4.632  -4.974
   10    H    LYS   2           H        LYS   2   4.619   0.921  -3.712
   11    HA   LYS   2           HA       LYS   2   5.824  -0.282  -1.227
   12    HB2  LYS   2           HB2      LYS   2   6.858  -0.066  -4.082
   13    HB3  LYS   2           HB3      LYS   2   7.964  -0.087  -2.722
   14    HG2  LYS   2           HG2      LYS   2   7.856  -2.292  -3.463
   15    HG3  LYS   2           HG3      LYS   2   6.936  -2.247  -1.955
   16    HD2  LYS   2           HD2      LYS   2   4.827  -2.326  -3.192
   17    HD3  LYS   2           HD3      LYS   2   5.691  -2.179  -4.743
   18    HE2  LYS   2           HE2      LYS   2   6.858  -4.324  -4.285
   19    HE3  LYS   2           HE3      LYS   2   6.028  -4.458  -2.733
   20    HZ1  LYS   2           HZ1      LYS   2   3.931  -4.639  -3.925
   21    HZ2  LYS   2           HZ2      LYS   2   4.677  -4.485  -5.375
   22    HZ3  LYS   2           HZ3      LYS   2   4.958  -5.788  -4.440
   23    H    LYS   3           H        LYS   3   7.084   1.029   0.031
   24    HA   LYS   3           HA       LYS   3   7.253   3.899  -0.695
   25    HB2  LYS   3           HB2      LYS   3   7.542   2.319   1.869
   26    HB3  LYS   3           HB3      LYS   3   8.479   3.785   1.715
   27    HG2  LYS   3           HG2      LYS   3   6.565   5.132   1.100
   28    HG3  LYS   3           HG3      LYS   3   5.491   3.716   1.107
   29    HD2  LYS   3           HD2      LYS   3   5.716   3.464   3.493
   30    HD3  LYS   3           HD3      LYS   3   7.017   4.686   3.548
   31    HE2  LYS   3           HE2      LYS   3   5.467   6.418   2.796
   32    HE3  LYS   3           HE3      LYS   3   4.152   5.237   2.659
   33    HZ1  LYS   3           HZ1      LYS   3   5.566   5.829   5.192
   34    HZ2  LYS   3           HZ2      LYS   3   4.139   6.545   4.761
   35    HZ3  LYS   3           HZ3      LYS   3   4.218   4.930   5.025
   36    H    VAL   4           H        VAL   4   8.902   4.583  -1.821
   37    HA   VAL   4           HA       VAL   4  11.418   2.996  -1.960
   38    HB   VAL   4           HB       VAL   4  10.210   5.201  -3.694
   39   HG11  VAL   4          HG11      VAL   4  12.761   3.587  -4.167
   40   HG12  VAL   4          HG12      VAL   4  12.014   4.736  -5.298
   41   HG13  VAL   4          HG13      VAL   4  12.685   5.315  -3.775
   42   HG21  VAL   4          HG21      VAL   4   9.097   2.947  -3.933
   43   HG22  VAL   4          HG22      VAL   4   9.920   3.508  -5.395
   44   HG23  VAL   4          HG23      VAL   4  10.677   2.276  -4.395
   45    H    MET   5           H        MET   5  13.186   3.790  -1.099
   46    HA   MET   5           HA       MET   5  13.291   6.626  -0.220
   47    HB2  MET   5           HB2      MET   5  13.264   5.189   1.665
   48    HB3  MET   5           HB3      MET   5  14.396   4.069   0.919
   49    HG2  MET   5           HG2      MET   5  15.520   5.365   2.611
   50    HG3  MET   5           HG3      MET   5  16.170   5.673   1.030
   51    HE1  MET   5           HE1      MET   5  12.775   7.388   2.363
   52    HE2  MET   5           HE2      MET   5  13.757   7.199   3.838
   53    HE3  MET   5           HE3      MET   5  13.458   8.812   3.172
   54    H    PHE   6           H        PHE   6  15.056   7.869  -0.884
   55    HA   PHE   6           HA       PHE   6  17.246   6.498  -2.385
   56    HB2  PHE   6           HB2      PHE   6  16.177   9.234  -2.923
   57    HB3  PHE   6           HB3      PHE   6  17.571   8.490  -3.677
   58    HD1  PHE   6           HD2      PHE   6  17.321   6.542  -5.213
   59    HD2  PHE   6           HD1      PHE   6  13.907   8.652  -3.622
   60    HE1  PHE   6           HE2      PHE   6  15.878   5.543  -6.984
   61    HE2  PHE   6           HE1      PHE   6  12.509   7.645  -5.442
   62    HZ   PHE   6           HZ       PHE   6  13.472   6.111  -7.075
   63    H    VAL   7           H        VAL   7  19.326   6.970  -1.471
   64    HA   VAL   7           HA       VAL   7  19.478   9.064   0.655
   65    HB   VAL   7           HB       VAL   7  20.686   6.290   0.913
   66   HG11  VAL   7          HG11      VAL   7  19.973   8.408   2.983
   67   HG12  VAL   7          HG12      VAL   7  20.771   6.852   3.289
   68   HG13  VAL   7          HG13      VAL   7  21.606   8.082   2.351
   69   HG21  VAL   7          HG21      VAL   7  18.875   5.657   2.480
   70   HG22  VAL   7          HG22      VAL   7  17.952   7.071   1.927
   71   HG23  VAL   7          HG23      VAL   7  18.374   5.752   0.794
   72    H    CYS   8           H        CYS   8  21.488  10.238   0.525
   73    HA   CYS   8           HA       CYS   8  23.774   8.719  -0.490
   74    HB2  CYS   8           HB2      CYS   8  24.517  10.852  -1.791
   75    HB3  CYS   8           HB3      CYS   8  23.433   9.700  -2.558
   76    HG   CYS   8           HG       CYS   8  21.241  10.992  -2.021
   77    H    LYS   9           H        LYS   9  25.873   9.902  -0.164
   78    HA   LYS   9           HA       LYS   9  26.049  10.473   2.582
   79    HB2  LYS   9           HB2      LYS   9  28.400  10.760   2.201
   80    HB3  LYS   9           HB3      LYS   9  27.781   9.419   1.237
   81    HG2  LYS   9           HG2      LYS   9  27.734  11.018  -0.771
   82    HG3  LYS   9           HG3      LYS   9  28.616  12.178   0.246
   83    HD2  LYS   9           HD2      LYS   9  30.386  10.482   0.648
   84    HD3  LYS   9           HD3      LYS   9  29.455   9.299  -0.285
   85    HE2  LYS   9           HE2      LYS   9  31.449  10.219  -1.435
   86    HE3  LYS   9           HE3      LYS   9  29.952  10.290  -2.343
   87    HZ1  LYS   9           HZ1      LYS   9  30.966  12.648  -0.867
   88    HZ2  LYS   9           HZ2      LYS   9  31.369  12.333  -2.415
   89    HZ3  LYS   9           HZ3      LYS   9  29.814  12.607  -2.065
   90    H    ARG  10           H        ARG  10  25.185  12.591   0.055
   91    HA   ARG  10           HA       ARG  10  24.756  14.710   1.943
   92    HB2  ARG  10           HB2      ARG  10  25.647  16.499   0.455
   93    HB3  ARG  10           HB3      ARG  10  26.861  15.539   1.293
   94    HG2  ARG  10           HG2      ARG  10  27.215  14.229  -0.875
   95    HG3  ARG  10           HG3      ARG  10  26.169  15.417  -1.672
   96    HD2  ARG  10           HD2      ARG  10  27.699  17.233  -0.886
   97    HD3  ARG  10           HD3      ARG  10  28.772  15.996  -0.186
   98    HE   ARG  10           HE       ARG  10  28.305  15.245  -2.845
   99   HH11  ARG  10          HH11      ARG  10  29.952  17.990  -1.272
  100   HH12  ARG  10          HH12      ARG  10  30.734  18.488  -2.728
  101   HH21  ARG  10          HH21      ARG  10  29.158  15.949  -4.666
  102   HH22  ARG  10          HH22      ARG  10  30.112  17.388  -4.780
  103    H    ASN  11           H        ASN  11  22.702  14.485   1.719
  104    HA   ASN  11           HA       ASN  11  21.007  13.357  -0.143
  105    HB2  ASN  11           HB2      ASN  11  20.281  14.074   2.015
  106    HB3  ASN  11           HB3      ASN  11  20.641  15.760   1.666
  107   HD21  ASN  11          HD22      ASN  11  18.672  13.106   0.126
  108   HD22  ASN  11          HD21      ASN  11  17.354  14.194  -0.306
  109    H    SER  12           H        SER  12  22.275  16.682  -0.211
  110    HA   SER  12           HA       SER  12  20.587  18.132  -1.589
  111    HB2  SER  12           HB2      SER  12  23.600  18.246  -1.912
  112    HB3  SER  12           HB3      SER  12  22.470  19.611  -1.914
  113    HG   SER  12           HG       SER  12  22.055  19.239   0.258
  114    H    CYS  13           H        CYS  13  22.105  15.551  -3.324
  115    HA   CYS  13           HA       CYS  13  21.580  16.955  -5.907
  116    HB2  CYS  13           HB2      CYS  13  23.681  15.849  -6.766
  117    HB3  CYS  13           HB3      CYS  13  23.912  17.146  -5.593
  118    HG   CYS  13           HG       CYS  13  25.739  15.383  -4.972
  119    H    ARG  14           H        ARG  14  22.844  13.668  -5.479
  120    HA   ARG  14           HA       ARG  14  21.267  12.715  -7.532
  121    HB2  ARG  14           HB2      ARG  14  22.375  11.008  -5.279
  122    HB3  ARG  14           HB3      ARG  14  21.710  10.357  -6.763
  123    HG2  ARG  14           HG2      ARG  14  23.546  10.760  -7.963
  124    HG3  ARG  14           HG3      ARG  14  23.713  12.398  -7.365
  125    HD2  ARG  14           HD2      ARG  14  24.558   9.875  -5.925
  126    HD3  ARG  14           HD3      ARG  14  25.642  10.998  -6.736
  127    HE   ARG  14           HE       ARG  14  24.074  12.403  -4.757
  128   HH11  ARG  14          HH11      ARG  14  26.467   9.901  -4.723
  129   HH12  ARG  14          HH12      ARG  14  27.476  10.597  -3.518
  130   HH21  ARG  14          HH21      ARG  14  25.242  13.324  -2.969
  131   HH22  ARG  14          HH22      ARG  14  26.861  12.770  -2.721
  132    H    SER  15           H        SER  15  20.646  12.348  -3.988
  133    HA   SER  15           HA       SER  15  18.380  10.724  -4.070
  134    HB2  SER  15           HB2      SER  15  19.448  12.812  -2.168
  135    HB3  SER  15           HB3      SER  15  17.868  12.132  -1.868
  136    HG   SER  15           HG       SER  15  19.336  10.875  -0.814
  137    H    GLN  16           H        GLN  16  18.621  14.355  -4.231
  138    HA   GLN  16           HA       GLN  16  15.738  14.631  -4.133
  139    HB2  GLN  16           HB2      GLN  16  17.940  16.670  -4.711
  140    HB3  GLN  16           HB3      GLN  16  16.229  17.047  -4.488
  141    HG2  GLN  16           HG2      GLN  16  18.127  15.942  -2.400
  142    HG3  GLN  16           HG3      GLN  16  17.319  17.505  -2.397
  143   HE21  GLN  16          HE22      GLN  16  14.864  17.481  -2.118
  144   HE22  GLN  16          HE21      GLN  16  14.049  15.989  -1.677
  145    H    MET  17           H        MET  17  18.122  14.583  -6.807
  146    HA   MET  17           HA       MET  17  16.132  15.219  -8.819
  147    HB2  MET  17           HB2      MET  17  18.770  13.680  -8.918
  148    HB3  MET  17           HB3      MET  17  17.733  13.935 -10.326
  149    HG2  MET  17           HG2      MET  17  17.797  16.412  -9.805
  150    HG3  MET  17           HG3      MET  17  19.115  16.077  -8.685
  151    HE1  MET  17           HE1      MET  17  21.569  15.609  -9.439
  152    HE2  MET  17           HE2      MET  17  21.000  14.040 -10.069
  153    HE3  MET  17           HE3      MET  17  22.023  15.090 -11.078
  154    H    ALA  18           H        ALA  18  17.318  12.103  -7.425
  155    HA   ALA  18           HA       ALA  18  15.660  10.399  -8.929
  156    HB1  ALA  18           HB1      ALA  18  16.065   8.768  -7.204
  157    HB2  ALA  18           HB2      ALA  18  17.563   9.691  -7.429
  158    HB3  ALA  18           HB3      ALA  18  16.520  10.017  -6.030
  159    H    GLU  19           H        GLU  19  14.995  12.271  -5.990
  160    HA   GLU  19           HA       GLU  19  12.474  11.193  -5.349
  161    HB2  GLU  19           HB2      GLU  19  13.926  12.946  -4.040
  162    HB3  GLU  19           HB3      GLU  19  13.125  14.158  -4.995
  163    HG2  GLU  19           HG2      GLU  19  10.973  13.621  -4.129
  164    HG3  GLU  19           HG3      GLU  19  11.524  12.080  -3.482
  165    H    GLY  20           H        GLY  20  13.175  14.220  -7.143
  166    HA2  GLY  20           HA2      GLY  20  10.576  14.827  -7.975
  167    HA3  GLY  20           HA3      GLY  20  12.053  15.309  -8.823
  168    H    PHE  21           H        PHE  21  12.949  12.629  -9.661
  169    HA   PHE  21           HA       PHE  21  11.158  12.179 -11.890
  170    HB2  PHE  21           HB2      PHE  21  13.434  10.449 -10.847
  171    HB3  PHE  21           HB3      PHE  21  12.553  10.165 -12.340
  172    HD1  PHE  21           HD2      PHE  21  12.368  12.478 -13.885
  173    HD2  PHE  21           HD1      PHE  21  15.543  11.366 -11.191
  174    HE1  PHE  21           HE2      PHE  21  13.865  14.223 -14.895
  175    HE2  PHE  21           HE1      PHE  21  17.002  13.079 -12.221
  176    HZ   PHE  21           HZ       PHE  21  16.125  14.511 -14.055
  177    H    ALA  22           H        ALA  22  11.737  10.294  -8.820
  178    HA   ALA  22           HA       ALA  22  10.050   8.162  -9.592
  179    HB1  ALA  22           HB1      ALA  22  10.101   7.611  -7.152
  180    HB2  ALA  22           HB2      ALA  22  11.709   7.966  -7.822
  181    HB3  ALA  22           HB3      ALA  22  10.862   9.194  -6.867
  182    H    LYS  23           H        LYS  23   9.182  11.150  -7.674
  183    HA   LYS  23           HA       LYS  23   6.477  10.240  -7.433
  184    HB2  LYS  23           HB2      LYS  23   6.023  12.682  -6.806
  185    HB3  LYS  23           HB3      LYS  23   6.996  11.682  -5.749
  186    HG2  LYS  23           HG2      LYS  23   8.926  12.769  -6.128
  187    HG3  LYS  23           HG3      LYS  23   8.476  13.339  -7.759
  188    HD2  LYS  23           HD2      LYS  23   7.091  14.308  -5.225
  189    HD3  LYS  23           HD3      LYS  23   8.631  15.021  -5.756
  190    HE2  LYS  23           HE2      LYS  23   7.716  15.550  -7.958
  191    HE3  LYS  23           HE3      LYS  23   6.159  14.805  -7.537
  192    HZ1  LYS  23           HZ1      LYS  23   6.080  17.212  -7.296
  193    HZ2  LYS  23           HZ2      LYS  23   5.875  16.521  -5.836
  194    HZ3  LYS  23           HZ3      LYS  23   7.307  17.210  -6.223
  195    H    THR  24           H        THR  24   8.133  11.572 -10.197
  196    HA   THR  24           HA       THR  24   5.579  12.305 -11.384
  197    HB   THR  24           HB       THR  24   8.406  12.133 -12.552
  198    HG1  THR  24           HG1      THR  24   8.535  13.705 -11.059
  199   HG21  THR  24          HG21      THR  24   5.878  13.525 -13.501
  200   HG22  THR  24          HG22      THR  24   7.496  13.717 -14.230
  201   HG23  THR  24          HG23      THR  24   6.691  12.139 -14.267
  202    H    LEU  25           H        LEU  25   8.099   9.819 -11.755
  203    HA   LEU  25           HA       LEU  25   6.862   8.509 -13.981
  204    HB2  LEU  25           HB2      LEU  25   9.112   7.712 -12.092
  205    HB3  LEU  25           HB3      LEU  25   8.700   6.839 -13.564
  206    HG   LEU  25           HG       LEU  25   9.661   9.740 -13.512
  207   HD11  LEU  25          HD11      LEU  25  11.794   8.691 -14.354
  208   HD12  LEU  25          HD12      LEU  25  11.377   8.278 -12.684
  209   HD13  LEU  25          HD13      LEU  25  11.103   7.093 -13.962
  210   HD21  LEU  25          HD21      LEU  25  10.041   9.361 -15.935
  211   HD22  LEU  25          HD22      LEU  25   9.296   7.751 -15.804
  212   HD23  LEU  25          HD23      LEU  25   8.330   9.219 -15.522
  213    H    GLY  26           H        GLY  26   7.180   7.780 -10.528
  214    HA2  GLY  26           HA2      GLY  26   5.679   5.246 -10.913
  215    HA3  GLY  26           HA3      GLY  26   6.884   5.587  -9.678
  216    H    ALA  27           H        ALA  27   5.213   8.376  -9.466
  217    HA   ALA  27           HA       ALA  27   3.556   7.683  -7.295
  218    HB1  ALA  27           HB1      ALA  27   2.346   9.848  -7.853
  219    HB2  ALA  27           HB2      ALA  27   4.099   9.999  -7.688
  220    HB3  ALA  27           HB3      ALA  27   3.363   9.977  -9.309
  221    H    GLY  28           H        GLY  28   2.001   6.232  -7.276
  222    HA2  GLY  28           HA2      GLY  28  -0.358   5.804  -8.299
  223    HA3  GLY  28           HA3      GLY  28   0.572   5.508  -9.779
  224    H    LYS  29           H        LYS  29   2.893   4.323  -8.310
  225    HA   LYS  29           HA       LYS  29   1.704   1.881  -7.082
  226    HB2  LYS  29           HB2      LYS  29   3.258   0.443  -8.181
  227    HB3  LYS  29           HB3      LYS  29   2.303   1.284  -9.393
  228    HG2  LYS  29           HG2      LYS  29   5.030   2.360  -8.609
  229    HG3  LYS  29           HG3      LYS  29   4.944   0.940  -9.633
  230    HD2  LYS  29           HD2      LYS  29   3.590   3.583 -10.275
  231    HD3  LYS  29           HD3      LYS  29   5.230   3.151 -10.772
  232    HE2  LYS  29           HE2      LYS  29   4.411   1.162 -11.967
  233    HE3  LYS  29           HE3      LYS  29   2.745   1.549 -11.516
  234    HZ1  LYS  29           HZ1      LYS  29   4.487   3.225 -13.239
  235    HZ2  LYS  29           HZ2      LYS  29   3.252   2.299 -13.748
  236    HZ3  LYS  29           HZ3      LYS  29   2.947   3.599 -12.818
  237    H    ILE  30           H        ILE  30   4.210   4.323  -7.138
  238    HA   ILE  30           HA       ILE  30   5.149   3.206  -4.539
  239    HB   ILE  30           HB       ILE  30   7.345   4.217  -4.994
  240   HG12  ILE  30          HG12      ILE  30   6.622   4.308  -7.927
  241   HG13  ILE  30          HG13      ILE  30   6.519   5.745  -6.898
  242   HG21  ILE  30          HG21      ILE  30   6.936   1.823  -5.238
  243   HG22  ILE  30          HG22      ILE  30   6.502   2.027  -6.945
  244   HG23  ILE  30          HG23      ILE  30   8.149   2.375  -6.395
  245   HD11  ILE  30          HD11      ILE  30   8.619   5.792  -8.067
  246   HD12  ILE  30          HD12      ILE  30   8.921   5.535  -6.342
  247   HD13  ILE  30          HD13      ILE  30   9.056   4.175  -7.508
  248    H    ALA  31           H        ALA  31   5.820   4.633  -2.985
  249    HA   ALA  31           HA       ALA  31   5.151   7.529  -3.320
  250    HB1  ALA  31           HB1      ALA  31   4.928   7.463  -0.805
  251    HB2  ALA  31           HB2      ALA  31   3.682   6.512  -1.631
  252    HB3  ALA  31           HB3      ALA  31   5.067   5.693  -0.866
  253    H    VAL  32           H        VAL  32   7.044   8.760  -3.206
  254    HA   VAL  32           HA       VAL  32   9.515   7.352  -2.408
  255    HB   VAL  32           HB       VAL  32   9.402   7.996  -4.697
  256   HG11  VAL  32          HG11      VAL  32   9.322  10.376  -5.433
  257   HG12  VAL  32          HG12      VAL  32   7.793   9.714  -4.863
  258   HG13  VAL  32          HG13      VAL  32   8.741  10.816  -3.823
  259   HG21  VAL  32          HG21      VAL  32  11.220   9.951  -3.212
  260   HG22  VAL  32          HG22      VAL  32  11.561   8.235  -3.478
  261   HG23  VAL  32          HG23      VAL  32  11.436   9.374  -4.840
  262    H    THR  33           H        THR  33  11.033   8.312  -1.046
  263    HA   THR  33           HA       THR  33  10.732  11.093  -0.312
  264    HB   THR  33           HB       THR  33  10.894   8.881   1.782
  265    HG1  THR  33           HG1      THR  33   8.815   9.993   0.639
  266   HG21  THR  33          HG21      THR  33  10.903  11.917   2.102
  267   HG22  THR  33          HG22      THR  33  10.762  10.740   3.427
  268   HG23  THR  33          HG23      THR  33  12.244  10.810   2.471
  269    H    SER  34           H        SER  34  12.833  11.899  -0.435
  270    HA   SER  34           HA       SER  34  15.062   9.936  -0.320
  271    HB2  SER  34           HB2      SER  34  14.934  12.575  -1.786
  272    HB3  SER  34           HB3      SER  34  16.127  11.261  -1.940
  273    HG   SER  34           HG       SER  34  14.721  11.147  -3.616
  274    H    CYS  35           H        CYS  35  17.148  10.678   0.564
  275    HA   CYS  35           HA       CYS  35  17.114  12.945   2.352
  276    HB2  CYS  35           HB2      CYS  35  17.155  11.719   4.419
  277    HB3  CYS  35           HB3      CYS  35  15.690  11.251   3.561
  278    HG   CYS  35           HG       CYS  35  16.645   9.053   2.524
  279    H    GLY  36           H        GLY  36  19.257  11.957   4.026
  280    HA2  GLY  36           HA2      GLY  36  21.179  10.504   2.540
  281    HA3  GLY  36           HA3      GLY  36  21.546  12.232   2.428
  282    H    LEU  37           H        LEU  37  23.395  10.735   3.600
  283    HA   LEU  37           HA       LEU  37  23.091  10.146   6.379
  284    HB2  LEU  37           HB2      LEU  37  25.555  10.789   4.723
  285    HB3  LEU  37           HB3      LEU  37  25.648  10.398   6.428
  286    HG   LEU  37           HG       LEU  37  24.488   8.515   4.333
  287   HD11  LEU  37          HD11      LEU  37  26.920   8.862   4.021
  288   HD12  LEU  37          HD12      LEU  37  27.201   8.476   5.730
  289   HD13  LEU  37          HD13      LEU  37  26.576   7.236   4.620
  290   HD21  LEU  37          HD21      LEU  37  24.799   6.817   6.198
  291   HD22  LEU  37          HD22      LEU  37  25.125   8.162   7.303
  292   HD23  LEU  37          HD23      LEU  37  23.537   8.006   6.517
  293    H    GLU  38           H        GLU  38  23.807  13.137   4.681
  294    HA   GLU  38           HA       GLU  38  23.164  14.629   7.110
  295    HB2  GLU  38           HB2      GLU  38  25.640  15.193   5.392
  296    HB3  GLU  38           HB3      GLU  38  24.945  16.318   6.562
  297    HG2  GLU  38           HG2      GLU  38  25.349  14.644   8.379
  298    HG3  GLU  38           HG3      GLU  38  26.153  13.596   7.203
  299    H    SER  39           H        SER  39  22.089  16.572   6.543
  300    HA   SER  39           HA       SER  39  21.248  16.887   3.735
  301    HB2  SER  39           HB2      SER  39  19.769  18.664   4.871
  302    HB3  SER  39           HB3      SER  39  19.438  16.965   5.230
  303    HG   SER  39           HG       SER  39  19.501  18.386   7.097
  304    H    SER  40           H        SER  40  21.373  18.949   2.742
  305    HA   SER  40           HA       SER  40  22.581  21.283   3.795
  306    HB2  SER  40           HB2      SER  40  24.170  19.618   1.773
  307    HB3  SER  40           HB3      SER  40  24.377  21.371   1.945
  308    HG   SER  40           HG       SER  40  24.470  19.688   4.195
  309    H    ARG  41           H        ARG  41  22.215  23.019   2.042
  310    HA   ARG  41           HA       ARG  41  19.629  22.827   1.081
  311    HB2  ARG  41           HB2      ARG  41  21.902  24.591   0.064
  312    HB3  ARG  41           HB3      ARG  41  20.201  24.804  -0.366
  313    HG2  ARG  41           HG2      ARG  41  19.620  25.128   2.030
  314    HG3  ARG  41           HG3      ARG  41  21.332  24.967   2.464
  315    HD2  ARG  41           HD2      ARG  41  21.884  26.920   1.045
  316    HD3  ARG  41           HD3      ARG  41  20.185  27.107   0.611
  317    HE   ARG  41           HE       ARG  41  21.510  27.786   3.138
  318   HH11  ARG  41          HH11      ARG  41  18.363  27.338   1.547
  319   HH12  ARG  41          HH12      ARG  41  17.485  28.252   2.715
  320   HH21  ARG  41          HH21      ARG  41  20.339  29.001   4.691
  321   HH22  ARG  41          HH22      ARG  41  18.638  29.220   4.539
  322    H    VAL  42           H        VAL  42  18.656  22.354  -0.868
  323    HA   VAL  42           HA       VAL  42  19.861  20.237  -2.391
  324    HB   VAL  42           HB       VAL  42  17.509  20.173  -2.050
  325   HG11  VAL  42          HG11      VAL  42  17.208  22.732  -3.665
  326   HG12  VAL  42          HG12      VAL  42  15.893  21.684  -3.097
  327   HG13  VAL  42          HG13      VAL  42  16.892  22.550  -1.925
  328   HG21  VAL  42          HG21      VAL  42  16.742  19.720  -4.319
  329   HG22  VAL  42          HG22      VAL  42  18.063  20.693  -5.002
  330   HG23  VAL  42          HG23      VAL  42  18.427  19.191  -4.135
  331    H    HIS  43           H        HIS  43  20.939  20.308  -4.289
  332    HA   HIS  43           HA       HIS  43  22.337  22.748  -4.700
  333    HB2  HIS  43           HB2      HIS  43  23.097  20.261  -4.872
  334    HB3  HIS  43           HB3      HIS  43  22.470  20.319  -6.518
  335    HD1  HIS  43           HD1      HIS  43  24.203  21.309  -8.241
  336    HD2  HIS  43           HD2      HIS  43  25.002  22.271  -4.233
  337    HE1  HIS  43           HE1      HIS  43  26.451  22.511  -8.226
  338    HA   PRO  44           HA       PRO  44  19.594  24.481  -7.591
  339    HB2  PRO  44           HB2      PRO  44  21.016  26.485  -8.790
  340    HB3  PRO  44           HB3      PRO  44  20.634  26.488  -7.041
  341    HG2  PRO  44           HG2      PRO  44  23.215  25.657  -8.387
  342    HG3  PRO  44           HG3      PRO  44  22.997  26.670  -6.929
  343    HD2  PRO  44           HD2      PRO  44  23.559  23.961  -6.886
  344    HD3  PRO  44           HD3      PRO  44  22.667  24.796  -5.570
  345    H    THR  45           H        THR  45  22.722  23.635  -9.288
  346    HA   THR  45           HA       THR  45  21.549  23.716 -11.829
  347    HB   THR  45           HB       THR  45  23.771  21.913 -10.746
  348    HG1  THR  45           HG1      THR  45  25.141  23.631 -11.217
  349   HG21  THR  45          HG21      THR  45  23.288  22.860 -13.597
  350   HG22  THR  45          HG22      THR  45  24.804  22.108 -13.002
  351   HG23  THR  45          HG23      THR  45  23.304  21.193 -12.985
  352    H    ALA  46           H        ALA  46  21.203  21.283  -9.342
  353    HA   ALA  46           HA       ALA  46  20.349  19.013 -10.760
  354    HB1  ALA  46           HB1      ALA  46  18.932  20.195  -8.330
  355    HB2  ALA  46           HB2      ALA  46  19.155  18.491  -8.737
  356    HB3  ALA  46           HB3      ALA  46  20.570  19.433  -8.198
  357    H    ILE  47           H        ILE  47  18.590  22.058  -9.958
  358    HA   ILE  47           HA       ILE  47  16.039  21.278 -10.650
  359    HB   ILE  47           HB       ILE  47  17.483  23.954 -10.930
  360   HG12  ILE  47          HG12      ILE  47  15.670  23.143  -8.619
  361   HG13  ILE  47          HG13      ILE  47  17.396  22.825  -8.565
  362   HG21  ILE  47          HG21      ILE  47  15.466  23.996 -12.237
  363   HG22  ILE  47          HG22      ILE  47  14.526  23.405 -10.854
  364   HG23  ILE  47          HG23      ILE  47  15.298  25.017 -10.828
  365   HD11  ILE  47          HD11      ILE  47  17.890  25.227  -8.915
  366   HD12  ILE  47          HD12      ILE  47  16.157  25.585  -8.821
  367   HD13  ILE  47          HD13      ILE  47  16.973  24.890  -7.417
  368    H    ALA  48           H        ALA  48  18.786  22.527 -12.592
  369    HA   ALA  48           HA       ALA  48  17.284  23.182 -14.881
  370    HB1  ALA  48           HB1      ALA  48  20.278  22.673 -14.609
  371    HB2  ALA  48           HB2      ALA  48  19.467  23.527 -15.935
  372    HB3  ALA  48           HB3      ALA  48  19.473  24.222 -14.296
  373    H    MET  49           H        MET  49  19.077  20.321 -13.808
  374    HA   MET  49           HA       MET  49  18.975  18.920 -16.272
  375    HB2  MET  49           HB2      MET  49  19.010  17.594 -13.573
  376    HB3  MET  49           HB3      MET  49  19.818  17.111 -15.083
  377    HG2  MET  49           HG2      MET  49  20.589  19.059 -12.984
  378    HG3  MET  49           HG3      MET  49  21.527  17.798 -13.739
  379    HE1  MET  49           HE1      MET  49  22.502  19.628 -17.182
  380    HE2  MET  49           HE2      MET  49  22.452  18.074 -16.315
  381    HE3  MET  49           HE3      MET  49  20.952  18.790 -16.962
  382    H    MET  50           H        MET  50  16.802  19.017 -13.475
  383    HA   MET  50           HA       MET  50  14.927  17.011 -14.384
  384    HB2  MET  50           HB2      MET  50  14.348  19.473 -12.686
  385    HB3  MET  50           HB3      MET  50  13.372  18.016 -12.827
  386    HG2  MET  50           HG2      MET  50  16.026  18.365 -11.467
  387    HG3  MET  50           HG3      MET  50  14.429  17.991 -10.811
  388    HE1  MET  50           HE1      MET  50  13.843  14.346 -11.254
  389    HE2  MET  50           HE2      MET  50  13.307  15.899 -10.581
  390    HE3  MET  50           HE3      MET  50  13.252  15.617 -12.341
  391    H    GLU  51           H        GLU  51  15.223  20.575 -14.704
  392    HA   GLU  51           HA       GLU  51  12.846  20.986 -16.168
  393    HB2  GLU  51           HB2      GLU  51  15.480  22.435 -15.931
  394    HB3  GLU  51           HB3      GLU  51  14.278  22.994 -17.097
  395    HG2  GLU  51           HG2      GLU  51  12.589  23.108 -15.233
  396    HG3  GLU  51           HG3      GLU  51  13.879  22.768 -14.083
  397    H    GLU  52           H        GLU  52  15.954  19.664 -17.246
  398    HA   GLU  52           HA       GLU  52  15.406  19.942 -20.039
  399    HB2  GLU  52           HB2      GLU  52  16.997  17.710 -18.743
  400    HB3  GLU  52           HB3      GLU  52  17.033  18.198 -20.432
  401    HG2  GLU  52           HG2      GLU  52  17.727  20.578 -19.425
  402    HG3  GLU  52           HG3      GLU  52  18.219  19.578 -18.054
  403    H    VAL  53           H        VAL  53  14.605  17.524 -17.560
  404    HA   VAL  53           HA       VAL  53  13.320  15.763 -19.557
  405    HB   VAL  53           HB       VAL  53  13.308  15.660 -16.524
  406   HG11  VAL  53          HG11      VAL  53  12.540  13.538 -18.582
  407   HG12  VAL  53          HG12      VAL  53  12.692  13.267 -16.829
  408   HG13  VAL  53          HG13      VAL  53  11.438  14.335 -17.442
  409   HG21  VAL  53          HG21      VAL  53  15.032  14.227 -18.608
  410   HG22  VAL  53          HG22      VAL  53  15.591  15.431 -17.434
  411   HG23  VAL  53          HG23      VAL  53  15.032  13.856 -16.876
  412    H    GLY  54           H        GLY  54  12.345  18.405 -17.462
  413    HA2  GLY  54           HA2      GLY  54  10.397  19.718 -18.096
  414    HA3  GLY  54           HA3      GLY  54   9.526  18.225 -18.473
  415    H    ILE  55           H        ILE  55  11.626  18.515 -15.638
  416    HA   ILE  55           HA       ILE  55   9.259  18.528 -13.798
  417    HB   ILE  55           HB       ILE  55  11.713  16.746 -13.769
  418   HG12  ILE  55          HG12      ILE  55   8.865  15.710 -13.696
  419   HG13  ILE  55          HG13      ILE  55   9.519  16.223 -15.239
  420   HG21  ILE  55          HG21      ILE  55  10.629  15.589 -11.780
  421   HG22  ILE  55          HG22      ILE  55  11.296  17.167 -11.424
  422   HG23  ILE  55          HG23      ILE  55   9.534  16.967 -11.645
  423   HD11  ILE  55          HD11      ILE  55  11.470  14.778 -14.965
  424   HD12  ILE  55          HD12      ILE  55  10.756  14.110 -13.470
  425   HD13  ILE  55          HD13      ILE  55   9.935  13.884 -15.029
  426    H    ASP  56           H        ASP  56  10.357  18.973 -11.406
  427    HA   ASP  56           HA       ASP  56  12.394  21.114 -11.569
  428    HB2  ASP  56           HB2      ASP  56  10.300  22.330 -11.851
  429    HB3  ASP  56           HB3      ASP  56   9.546  21.416 -10.532
  430    H    ILE  57           H        ILE  57  13.228  21.602  -9.444
  431    HA   ILE  57           HA       ILE  57  12.333  19.918  -7.207
  432    HB   ILE  57           HB       ILE  57  15.209  20.497  -7.198
  433   HG12  ILE  57          HG12      ILE  57  14.293  18.092  -8.809
  434   HG13  ILE  57          HG13      ILE  57  14.991  19.585  -9.502
  435   HG21  ILE  57          HG21      ILE  57  14.015  19.340  -5.361
  436   HG22  ILE  57          HG22      ILE  57  13.532  18.032  -6.498
  437   HG23  ILE  57          HG23      ILE  57  15.232  18.282  -6.035
  438   HD11  ILE  57          HD11      ILE  57  16.834  18.266  -9.360
  439   HD12  ILE  57          HD12      ILE  57  16.934  19.158  -7.823
  440   HD13  ILE  57          HD13      ILE  57  16.322  17.493  -7.831
  441    H    SER  58           H        SER  58  13.475  23.029  -8.367
  442    HA   SER  58           HA       SER  58  14.138  24.511  -6.231
  443    HB2  SER  58           HB2      SER  58  11.850  25.484  -7.948
  444    HB3  SER  58           HB3      SER  58  13.248  26.377  -7.330
  445    HG   SER  58           HG       SER  58  12.997  24.536  -9.450
  446    H    GLY  59           H        GLY  59  10.810  23.340  -6.891
  447    HA2  GLY  59           HA2      GLY  59   9.449  24.858  -4.934
  448    HA3  GLY  59           HA3      GLY  59   8.874  23.381  -5.722
  449    H    GLN  60           H        GLN  60  11.560  22.153  -4.389
  450    HA   GLN  60           HA       GLN  60  10.434  21.760  -1.707
  451    HB2  GLN  60           HB2      GLN  60  10.899  19.430  -1.852
  452    HB3  GLN  60           HB3      GLN  60   9.838  19.932  -3.182
  453    HG2  GLN  60           HG2      GLN  60  11.612  19.644  -4.809
  454    HG3  GLN  60           HG3      GLN  60  12.811  19.446  -3.529
  455   HE21  GLN  60          HE22      GLN  60  13.408  17.326  -4.459
  456   HE22  GLN  60          HE21      GLN  60  12.521  16.001  -3.746
  457    H    THR  61           H        THR  61  12.047  20.639  -0.238
  458    HA   THR  61           HA       THR  61  14.761  21.785  -0.547
  459    HB   THR  61           HB       THR  61  14.558  21.931   2.005
  460    HG1  THR  61           HG1      THR  61  12.519  21.825   2.863
  461   HG21  THR  61          HG21      THR  61  13.290  24.032   1.908
  462   HG22  THR  61          HG22      THR  61  14.330  23.874   0.479
  463   HG23  THR  61          HG23      THR  61  12.582  23.550   0.344
  464    H    SER  62           H        SER  62  16.377  20.714   0.862
  465    HA   SER  62           HA       SER  62  16.472  17.853   0.458
  466    HB2  SER  62           HB2      SER  62  18.664  18.437   1.888
  467    HB3  SER  62           HB3      SER  62  18.526  18.816   0.168
  468    HG   SER  62           HG       SER  62  19.316  20.513   1.399
  469    H    ASP  63           H        ASP  63  17.185  16.443   2.356
  470    HA   ASP  63           HA       ASP  63  16.051  17.191   4.977
  471    HB2  ASP  63           HB2      ASP  63  14.189  16.248   3.328
  472    HB3  ASP  63           HB3      ASP  63  14.914  14.687   3.717
  473    HA   PRO  64           HA       PRO  64  19.258  14.164   5.939
  474    HB2  PRO  64           HB2      PRO  64  19.175  14.108   8.651
  475    HB3  PRO  64           HB3      PRO  64  19.683  15.567   7.754
  476    HG2  PRO  64           HG2      PRO  64  16.961  14.954   8.944
  477    HG3  PRO  64           HG3      PRO  64  17.910  16.466   9.074
  478    HD2  PRO  64           HD2      PRO  64  15.896  16.081   7.230
  479    HD3  PRO  64           HD3      PRO  64  17.299  17.147   6.923
  480    H    ILE  65           H        ILE  65  19.507  11.973   6.470
  481    HA   ILE  65           HA       ILE  65  17.307  10.204   6.329
  482    HB   ILE  65           HB       ILE  65  19.625   9.706   5.747
  483   HG12  ILE  65          HG12      ILE  65  18.470   7.720   7.737
  484   HG13  ILE  65          HG13      ILE  65  17.850   7.997   6.102
  485   HG21  ILE  65          HG21      ILE  65  21.297   9.030   7.383
  486   HG22  ILE  65          HG22      ILE  65  20.800  10.678   7.755
  487   HG23  ILE  65          HG23      ILE  65  20.185   9.321   8.726
  488   HD11  ILE  65          HD11      ILE  65  20.515   6.833   6.907
  489   HD12  ILE  65          HD12      ILE  65  19.282   6.191   5.793
  490   HD13  ILE  65          HD13      ILE  65  20.265   7.580   5.314
  491    H    GLU  66           H        GLU  66  18.911  11.640   9.112
  492    HA   GLU  66           HA       GLU  66  18.040  10.108  11.208
  493    HB2  GLU  66           HB2      GLU  66  18.256  13.148  11.257
  494    HB3  GLU  66           HB3      GLU  66  18.527  12.023  12.590
  495    HG2  GLU  66           HG2      GLU  66  20.495  11.090  11.214
  496    HG3  GLU  66           HG3      GLU  66  20.291  12.476  10.134
  497    H    ASN  67           H        ASN  67  16.078  12.181   9.235
  498    HA   ASN  67           HA       ASN  67  14.011  12.755  11.171
  499    HB2  ASN  67           HB2      ASN  67  14.657  14.173   9.184
  500    HB3  ASN  67           HB3      ASN  67  13.995  12.920   8.139
  501   HD21  ASN  67          HD22      ASN  67  12.595  14.518   7.274
  502   HD22  ASN  67          HD21      ASN  67  11.132  15.013   8.130
  503    H    PHE  68           H        PHE  68  14.744   9.781   9.431
  504    HA   PHE  68           HA       PHE  68  11.932   8.891   9.770
  505    HB2  PHE  68           HB2      PHE  68  13.864   8.515   7.452
  506    HB3  PHE  68           HB3      PHE  68  12.356   7.621   7.653
  507    HD1  PHE  68           HD1      PHE  68  10.176   8.697   7.502
  508    HD2  PHE  68           HD2      PHE  68  13.842  10.803   6.646
  509    HE1  PHE  68           HE1      PHE  68   8.864  10.553   6.465
  510    HE2  PHE  68           HE2      PHE  68  12.530  12.605   5.526
  511    HZ   PHE  68           HZ       PHE  68  10.050  12.509   5.484
  512    H    ASN  69           H        ASN  69  11.936   6.476   9.252
  513    HA   ASN  69           HA       ASN  69  14.161   4.931  10.442
  514    HB2  ASN  69           HB2      ASN  69  12.265   3.289  11.122
  515    HB3  ASN  69           HB3      ASN  69  12.631   4.654  12.177
  516   HD21  ASN  69          HD22      ASN  69  10.578   4.676   9.148
  517   HD22  ASN  69          HD21      ASN  69   9.119   5.116  10.013
  518    H    ALA  70           H        ALA  70  14.508   2.999   9.355
  519    HA   ALA  70           HA       ALA  70  13.864   3.069   6.524
  520    HB1  ALA  70           HB1      ALA  70  15.207   0.865   8.152
  521    HB2  ALA  70           HB2      ALA  70  15.305   1.128   6.401
  522    HB3  ALA  70           HB3      ALA  70  16.059   2.285   7.517
  523    H    ASP  71           H        ASP  71  12.508   1.413   9.307
  524    HA   ASP  71           HA       ASP  71  11.497  -0.897   8.087
  525    HB2  ASP  71           HB2      ASP  71  11.615  -0.541  10.511
  526    HB3  ASP  71           HB3      ASP  71  10.395   0.731  10.407
  527    H    ASP  72           H        ASP  72  10.364   2.401   7.753
  528    HA   ASP  72           HA       ASP  72   7.645   1.702   7.036
  529    HB2  ASP  72           HB2      ASP  72   8.266   3.780   8.249
  530    HB3  ASP  72           HB3      ASP  72   9.180   4.320   6.836
  531    H    TYR  73           H        TYR  73  10.724   1.744   5.444
  532    HA   TYR  73           HA       TYR  73   9.586   2.355   2.846
  533    HB2  TYR  73           HB2      TYR  73  12.422   2.388   3.888
  534    HB3  TYR  73           HB3      TYR  73  11.978   2.669   2.202
  535    HD1  TYR  73           HD2      TYR  73  10.565   4.636   1.571
  536    HD2  TYR  73           HD1      TYR  73  12.047   4.121   5.582
  537    HE1  TYR  73           HE2      TYR  73   9.876   6.942   2.119
  538    HE2  TYR  73           HE1      TYR  73  11.466   6.469   6.133
  539    HH   TYR  73           HH       TYR  73  10.486   8.458   5.297
  540    H    ASP  74           H        ASP  74   9.390   0.800   1.322
  541    HA   ASP  74           HA       ASP  74   9.883  -2.004   2.083
  542    HB2  ASP  74           HB2      ASP  74   7.840  -1.384   0.825
  543    HB3  ASP  74           HB3      ASP  74   8.838  -0.811  -0.504
  544    H    VAL  75           H        VAL  75  11.154   0.561  -0.007
  545    HA   VAL  75           HA       VAL  75  13.446  -1.185  -0.778
  546    HB   VAL  75           HB       VAL  75  12.325  -1.401  -2.704
  547   HG11  VAL  75          HG11      VAL  75  10.744   0.046  -3.812
  548   HG12  VAL  75          HG12      VAL  75  10.239  -0.574  -2.252
  549   HG13  VAL  75          HG13      VAL  75  10.771   1.105  -2.383
  550   HG21  VAL  75          HG21      VAL  75  14.370  -0.063  -3.239
  551   HG22  VAL  75          HG22      VAL  75  13.091  -0.017  -4.450
  552   HG23  VAL  75          HG23      VAL  75  13.323   1.369  -3.359
  553    H    VAL  76           H        VAL  76  15.396  -0.307  -0.557
  554    HA   VAL  76           HA       VAL  76  15.561   2.669  -0.242
  555    HB   VAL  76           HB       VAL  76  17.127   0.533   1.215
  556   HG11  VAL  76          HG11      VAL  76  17.333   3.538   1.551
  557   HG12  VAL  76          HG12      VAL  76  18.196   2.284   2.480
  558   HG13  VAL  76          HG13      VAL  76  18.553   2.484   0.786
  559   HG21  VAL  76          HG21      VAL  76  15.101   2.495   2.349
  560   HG22  VAL  76          HG22      VAL  76  14.847   0.753   2.135
  561   HG23  VAL  76          HG23      VAL  76  16.074   1.327   3.263
  562    H    ILE  77           H        ILE  77  16.862   3.670  -1.578
  563    HA   ILE  77           HA       ILE  77  18.863   2.169  -3.157
  564    HB   ILE  77           HB       ILE  77  17.153   4.596  -3.820
  565   HG12  ILE  77          HG12      ILE  77  15.784   2.601  -3.936
  566   HG13  ILE  77          HG13      ILE  77  16.118   3.223  -5.543
  567   HG21  ILE  77          HG21      ILE  77  19.319   4.850  -4.861
  568   HG22  ILE  77          HG22      ILE  77  19.282   3.188  -5.463
  569   HG23  ILE  77          HG23      ILE  77  18.136   4.410  -6.081
  570   HD11  ILE  77          HD11      ILE  77  17.768   1.463  -5.947
  571   HD12  ILE  77          HD12      ILE  77  17.609   0.878  -4.282
  572   HD13  ILE  77          HD13      ILE  77  16.243   0.734  -5.410
  573    H    SER  78           H        SER  78  20.736   2.535  -2.246
  574    HA   SER  78           HA       SER  78  21.404   5.174  -1.075
  575    HB2  SER  78           HB2      SER  78  22.926   2.589  -1.452
  576    HB3  SER  78           HB3      SER  78  23.736   4.137  -1.066
  577    HG   SER  78           HG       SER  78  23.196   2.959   0.805
  578    H    LEU  79           H        LEU  79  22.892   6.521  -2.142
  579    HA   LEU  79           HA       LEU  79  23.900   5.841  -4.787
  580    HB2  LEU  79           HB2      LEU  79  22.927   8.524  -5.088
  581    HB3  LEU  79           HB3      LEU  79  22.625   7.108  -6.014
  582    HG   LEU  79           HG       LEU  79  20.703   6.776  -4.022
  583   HD11  LEU  79          HD11      LEU  79  19.750   8.794  -3.412
  584   HD12  LEU  79          HD12      LEU  79  21.459   9.013  -3.079
  585   HD13  LEU  79          HD13      LEU  79  20.749   9.726  -4.529
  586   HD21  LEU  79          HD21      LEU  79  20.228   6.612  -6.357
  587   HD22  LEU  79          HD22      LEU  79  19.138   7.811  -5.653
  588   HD23  LEU  79          HD23      LEU  79  20.526   8.343  -6.620
  589    H    CYS  80           H        CYS  80  25.038   6.061  -2.148
  590    HA   CYS  80           HA       CYS  80  26.005   8.602  -1.430
  591    HB2  CYS  80           HB2      CYS  80  27.175   5.869  -0.884
  592    HB3  CYS  80           HB3      CYS  80  27.561   7.360  -0.001
  593    HG   CYS  80           HG       CYS  80  25.983   5.922   1.492
  594    H    GLY  81           H        GLY  81  27.635   6.242  -3.592
  595    HA2  GLY  81           HA2      GLY  81  29.050   6.923  -5.383
  596    HA3  GLY  81           HA3      GLY  81  29.128   8.559  -4.721
  597    H    CYS  82           H        CYS  82  31.523   7.502  -5.407
  598    HA   CYS  82           HA       CYS  82  33.405   6.319  -4.961
  599    HB2  CYS  82           HB2      CYS  82  32.937   8.252  -2.705
  600    HB3  CYS  82           HB3      CYS  82  34.535   7.528  -3.044
  601    HG   CYS  82           HG       CYS  82  34.479   9.991  -3.947
  602    H    GLY  83           H        GLY  83  31.245   4.686  -4.127
  603    HA2  GLY  83           HA2      GLY  83  30.783   2.792  -3.050
  604    HA3  GLY  83           HA3      GLY  83  32.525   2.618  -2.714
  605    H    VAL  84           H        VAL  84  30.766   5.380  -1.429
  606    HA   VAL  84           HA       VAL  84  31.017   4.536   1.319
  607    HB   VAL  84           HB       VAL  84  29.763   6.920  -0.016
  608   HG11  VAL  84          HG11      VAL  84  29.744   7.989   2.238
  609   HG12  VAL  84          HG12      VAL  84  28.636   6.623   2.153
  610   HG13  VAL  84          HG13      VAL  84  30.211   6.439   2.962
  611   HG21  VAL  84          HG21      VAL  84  32.196   6.907  -0.239
  612   HG22  VAL  84          HG22      VAL  84  31.711   8.151   0.910
  613   HG23  VAL  84          HG23      VAL  84  32.377   6.617   1.504
  614    H    ASN  85           H        ASN  85  29.086   4.253   2.679
  615    HA   ASN  85           HA       ASN  85  26.606   3.402   1.406
  616    HB2  ASN  85           HB2      ASN  85  28.555   1.490   1.360
  617    HB3  ASN  85           HB3      ASN  85  27.914   1.184   2.964
  618   HD21  ASN  85          HD22      ASN  85  27.683   0.097  -0.100
  619   HD22  ASN  85          HD21      ASN  85  26.004  -0.386  -0.143
  620    H    LEU  86           H        LEU  86  25.419   1.991   3.355
  621    HA   LEU  86           HA       LEU  86  25.235   4.012   5.548
  622    HB2  LEU  86           HB2      LEU  86  23.113   2.169   4.407
  623    HB3  LEU  86           HB3      LEU  86  22.880   3.438   5.607
  624    HG   LEU  86           HG       LEU  86  23.575   3.771   2.664
  625   HD11  LEU  86          HD11      LEU  86  21.321   4.676   2.487
  626   HD12  LEU  86          HD12      LEU  86  21.247   3.069   3.197
  627   HD13  LEU  86          HD13      LEU  86  21.062   4.501   4.240
  628   HD21  LEU  86          HD21      LEU  86  23.278   6.183   2.970
  629   HD22  LEU  86          HD22      LEU  86  23.101   5.957   4.726
  630   HD23  LEU  86          HD23      LEU  86  24.647   5.590   3.907
  631    HA   PRO  87           HA       PRO  87  26.324   0.327   8.043
  632    HB2  PRO  87           HB2      PRO  87  26.004   2.400  10.202
  633    HB3  PRO  87           HB3      PRO  87  27.249   1.134  10.018
  634    HG2  PRO  87           HG2      PRO  87  27.790   3.725   9.377
  635    HG3  PRO  87           HG3      PRO  87  28.400   2.381   8.359
  636    HD2  PRO  87           HD2      PRO  87  26.010   4.165   7.874
  637    HD3  PRO  87           HD3      PRO  87  27.250   3.585   6.722
  638    HA   PRO  88           HA       PRO  88  22.385   0.782  10.656
  639    HB2  PRO  88           HB2      PRO  88  20.449   2.698  10.198
  640    HB3  PRO  88           HB3      PRO  88  21.900   2.933  11.205
  641    HG2  PRO  88           HG2      PRO  88  21.546   3.716   8.288
  642    HG3  PRO  88           HG3      PRO  88  22.158   4.711   9.646
  643    HD2  PRO  88           HD2      PRO  88  23.701   3.440   7.878
  644    HD3  PRO  88           HD3      PRO  88  24.194   3.590   9.595
  645    H    GLU  89           H        GLU  89  19.929   0.537  10.465
  646    HA   GLU  89           HA       GLU  89  19.218  -1.689   9.103
  647    HB2  GLU  89           HB2      GLU  89  16.862  -0.957   9.664
  648    HB3  GLU  89           HB3      GLU  89  18.014  -0.946  11.007
  649    HG2  GLU  89           HG2      GLU  89  18.202   1.477  10.921
  650    HG3  GLU  89           HG3      GLU  89  17.290   1.551   9.420
  651    H    TRP  90           H        TRP  90  19.234   1.438   7.713
  652    HA   TRP  90           HA       TRP  90  17.362   1.223   5.618
  653    HB2  TRP  90           HB2      TRP  90  20.059   2.618   5.755
  654    HB3  TRP  90           HB3      TRP  90  18.841   2.903   4.519
  655    HD1  TRP  90           HD1      TRP  90  19.556   3.634   8.179
  656    HE1  TRP  90           HE1      TRP  90  18.056   5.452   9.018
  657    HE3  TRP  90           HE3      TRP  90  16.299   3.667   4.281
  658    HZ2  TRP  90           HZ2      TRP  90  15.516   6.709   8.153
  659    HZ3  TRP  90           HZ3      TRP  90  14.250   5.057   4.381
  660    HH2  TRP  90           HH2      TRP  90  13.869   6.587   6.271
  661    H    VAL  91           H        VAL  91  20.478  -0.452   6.033
  662    HA   VAL  91           HA       VAL  91  20.596  -0.896   3.160
  663    HB   VAL  91           HB       VAL  91  22.555  -0.235   4.590
  664   HG11  VAL  91          HG11      VAL  91  22.727  -3.163   5.384
  665   HG12  VAL  91          HG12      VAL  91  23.815  -1.843   5.840
  666   HG13  VAL  91          HG13      VAL  91  22.168  -1.873   6.475
  667   HG21  VAL  91          HG21      VAL  91  22.984  -2.728   2.916
  668   HG22  VAL  91          HG22      VAL  91  22.881  -1.059   2.325
  669   HG23  VAL  91          HG23      VAL  91  24.209  -1.530   3.385
  670    H    THR  92           H        THR  92  18.884  -2.267   5.682
  671    HA   THR  92           HA       THR  92  19.078  -4.986   4.589
  672    HB   THR  92           HB       THR  92  18.635  -5.718   6.971
  673    HG1  THR  92           HG1      THR  92  17.823  -3.768   7.798
  674   HG21  THR  92          HG21      THR  92  20.881  -5.455   7.736
  675   HG22  THR  92          HG22      THR  92  20.969  -5.568   5.968
  676   HG23  THR  92          HG23      THR  92  21.113  -3.985   6.776
  677    H    GLN  93           H        GLN  93  17.218  -2.894   3.771
  678    HA   GLN  93           HA       GLN  93  14.582  -3.919   4.681
  679    HB2  GLN  93           HB2      GLN  93  15.271  -1.705   2.701
  680    HB3  GLN  93           HB3      GLN  93  13.645  -2.154   3.226
  681    HG2  GLN  93           HG2      GLN  93  15.848  -0.930   4.910
  682    HG3  GLN  93           HG3      GLN  93  14.292  -0.226   4.493
  683   HE21  GLN  93          HE22      GLN  93  15.924  -1.558   7.042
  684   HE22  GLN  93          HE21      GLN  93  14.579  -2.240   7.937
  685    H    GLU  94           H        GLU  94  13.001  -4.071   2.620
  686    HA   GLU  94           HA       GLU  94  13.545  -6.664   1.744
  687    HB2  GLU  94           HB2      GLU  94  11.339  -4.935   1.818
  688    HB3  GLU  94           HB3      GLU  94  11.559  -5.226   0.096
  689    HG2  GLU  94           HG2      GLU  94  11.264  -7.336   2.282
  690    HG3  GLU  94           HG3      GLU  94   9.989  -6.815   1.190
  691    H    ILE  95           H        ILE  95  14.061  -3.591   0.079
  692    HA   ILE  95           HA       ILE  95  15.666  -5.042  -1.993
  693    HB   ILE  95           HB       ILE  95  13.725  -2.806  -2.290
  694   HG12  ILE  95          HG12      ILE  95  14.044  -5.575  -3.492
  695   HG13  ILE  95          HG13      ILE  95  12.702  -4.939  -2.533
  696   HG21  ILE  95          HG21      ILE  95  15.831  -3.644  -4.346
  697   HG22  ILE  95          HG22      ILE  95  14.558  -2.427  -4.602
  698   HG23  ILE  95          HG23      ILE  95  15.830  -2.106  -3.454
  699   HD11  ILE  95          HD11      ILE  95  11.984  -5.107  -4.801
  700   HD12  ILE  95          HD12      ILE  95  12.195  -3.371  -4.452
  701   HD13  ILE  95          HD13      ILE  95  13.425  -4.261  -5.391
  702    H    PHE  96           H        PHE  96  17.718  -4.136  -2.199
  703    HA   PHE  96           HA       PHE  96  18.234  -1.478  -1.219
  704    HB2  PHE  96           HB2      PHE  96  18.877  -2.754   0.748
  705    HB3  PHE  96           HB3      PHE  96  19.827  -3.871  -0.246
  706    HD1  PHE  96           HD1      PHE  96  19.541  -0.334   0.906
  707    HD2  PHE  96           HD2      PHE  96  22.013  -3.223  -1.139
  708    HE1  PHE  96           HE1      PHE  96  21.377   1.315   0.770
  709    HE2  PHE  96           HE2      PHE  96  23.816  -1.530  -1.346
  710    HZ   PHE  96           HZ       PHE  96  23.529   0.716  -0.313
  711    H    GLU  97           H        GLU  97  19.513  -0.483  -2.680
  712    HA   GLU  97           HA       GLU  97  21.506  -1.983  -4.240
  713    HB2  GLU  97           HB2      GLU  97  19.299  -0.253  -5.419
  714    HB3  GLU  97           HB3      GLU  97  20.884  -0.354  -6.189
  715    HG2  GLU  97           HG2      GLU  97  20.708  -2.750  -6.422
  716    HG3  GLU  97           HG3      GLU  97  19.124  -2.754  -5.622
  717    H    ASP  98           H        ASP  98  23.241  -0.599  -4.777
  718    HA   ASP  98           HA       ASP  98  23.168   2.154  -3.715
  719    HB2  ASP  98           HB2      ASP  98  24.686   0.980  -2.289
  720    HB3  ASP  98           HB3      ASP  98  25.531   0.281  -3.677
  721    H    TRP  99           H        TRP  99  22.852   3.378  -5.406
  722    HA   TRP  99           HA       TRP  99  23.901   2.829  -8.086
  723    HB2  TRP  99           HB2      TRP  99  22.254   5.120  -6.937
  724    HB3  TRP  99           HB3      TRP  99  22.658   4.907  -8.618
  725    HD1  TRP  99           HD1      TRP  99  21.712   1.521  -7.406
  726    HE1  TRP  99           HE1      TRP  99  19.308   0.963  -7.980
  727    HE3  TRP  99           HE3      TRP  99  20.138   6.221  -8.634
  728    HZ2  TRP  99           HZ2      TRP  99  16.832   2.475  -8.615
  729    HZ3  TRP  99           HZ3      TRP  99  17.749   6.656  -9.106
  730    HH2  TRP  99           HH2      TRP  99  16.119   4.801  -9.063
  731    H    GLN 100           H        GLN 100  26.177   2.843  -7.398
  732    HA   GLN 100           HA       GLN 100  27.515   5.158  -6.469
  733    HB2  GLN 100           HB2      GLN 100  28.516   2.873  -6.731
  734    HB3  GLN 100           HB3      GLN 100  28.534   3.102  -8.485
  735    HG2  GLN 100           HG2      GLN 100  30.018   5.093  -8.190
  736    HG3  GLN 100           HG3      GLN 100  29.982   4.853  -6.440
  737   HE21  GLN 100          HE22      GLN 100  30.777   2.584  -5.669
  738   HE22  GLN 100          HE21      GLN 100  32.159   1.948  -6.517
  739    H    LEU 101           H        LEU 101  27.601   7.150  -7.354
  740    HA   LEU 101           HA       LEU 101  27.281   7.636 -10.251
  741    HB2  LEU 101           HB2      LEU 101  25.434   8.462  -7.971
  742    HB3  LEU 101           HB3      LEU 101  25.534   9.441  -9.414
  743    HG   LEU 101           HG       LEU 101  24.729   6.487  -9.505
  744   HD11  LEU 101          HD11      LEU 101  23.042   8.977  -9.368
  745   HD12  LEU 101          HD12      LEU 101  22.438   7.347  -9.779
  746   HD13  LEU 101          HD13      LEU 101  23.129   7.668  -8.183
  747   HD21  LEU 101          HD21      LEU 101  24.506   8.646 -11.615
  748   HD22  LEU 101          HD22      LEU 101  25.608   7.254 -11.642
  749   HD23  LEU 101          HD23      LEU 101  23.869   6.992 -11.700
  750    H    GLU 102           H        GLU 102  27.921   9.796 -10.786
  751    HA   GLU 102           HA       GLU 102  30.068  10.690  -9.121
  752    HB2  GLU 102           HB2      GLU 102  29.171  11.481 -11.919
  753    HB3  GLU 102           HB3      GLU 102  30.598  12.155 -11.112
  754    HG2  GLU 102           HG2      GLU 102  31.533   9.866 -10.861
  755    HG3  GLU 102           HG3      GLU 102  30.157   9.211 -11.753
  756    H    ASP 103           H        ASP 103  28.381  11.117  -7.560
  757    HA   ASP 103           HA       ASP 103  26.901  12.753  -6.537
  758    HB2  ASP 103           HB2      ASP 103  28.767  11.779  -5.410
  759    HB3  ASP 103           HB3      ASP 103  29.832  13.097  -5.915
  760    HA   PRO 104           HA       PRO 104  27.427  16.071  -9.606
  761    HB2  PRO 104           HB2      PRO 104  24.560  16.610  -8.904
  762    HB3  PRO 104           HB3      PRO 104  25.392  16.625 -10.502
  763    HG2  PRO 104           HG2      PRO 104  23.966  14.457  -9.761
  764    HG3  PRO 104           HG3      PRO 104  25.571  14.281 -10.549
  765    HD2  PRO 104           HD2      PRO 104  24.876  14.074  -7.619
  766    HD3  PRO 104           HD3      PRO 104  25.947  13.023  -8.614
  767    H    ASP 105           H        ASP 105  26.840  16.651  -6.237
  768    HA   ASP 105           HA       ASP 105  26.309  19.466  -6.373
  769    HB2  ASP 105           HB2      ASP 105  25.730  18.143  -4.446
  770    HB3  ASP 105           HB3      ASP 105  27.398  17.755  -4.129
  771    H    GLY 106           H        GLY 106  27.639  20.477  -7.742
  772    HA2  GLY 106           HA2      GLY 106  29.316  22.194  -7.586
  773    HA3  GLY 106           HA3      GLY 106  30.393  21.060  -6.765
  774    H    GLN 107           H        GLN 107  28.708  19.600  -9.449
  775    HA   GLN 107           HA       GLN 107  31.318  19.377 -10.780
  776    HB2  GLN 107           HB2      GLN 107  28.746  17.906 -11.396
  777    HB3  GLN 107           HB3      GLN 107  30.392  17.447 -11.848
  778    HG2  GLN 107           HG2      GLN 107  29.332  17.535  -9.010
  779    HG3  GLN 107           HG3      GLN 107  29.432  16.109 -10.043
  780   HE21  GLN 107          HE22      GLN 107  30.520  15.583  -7.868
  781   HE22  GLN 107          HE21      GLN 107  32.283  15.665  -7.893
  782    H    SER 108           H        SER 108  31.032  18.837 -13.244
  783    HA   SER 108           HA       SER 108  30.311  21.272 -14.651
  784    HB2  SER 108           HB2      SER 108  31.307  18.527 -15.535
  785    HB3  SER 108           HB3      SER 108  31.276  19.989 -16.551
  786    HG   SER 108           HG       SER 108  33.342  19.619 -15.622
  787    H    LEU 109           H        LEU 109  28.758  21.310 -16.434
  788    HA   LEU 109           HA       LEU 109  26.294  20.074 -15.890
  789    HB2  LEU 109           HB2      LEU 109  27.397  21.355 -18.412
  790    HB3  LEU 109           HB3      LEU 109  25.752  20.734 -18.333
  791    HG   LEU 109           HG       LEU 109  26.817  22.815 -16.387
  792   HD11  LEU 109          HD11      LEU 109  25.592  24.478 -17.742
  793   HD12  LEU 109          HD12      LEU 109  26.873  23.704 -18.686
  794   HD13  LEU 109          HD13      LEU 109  25.180  23.221 -18.930
  795   HD21  LEU 109          HD21      LEU 109  23.971  21.924 -17.065
  796   HD22  LEU 109          HD22      LEU 109  24.829  21.603 -15.546
  797   HD23  LEU 109          HD23      LEU 109  24.404  23.258 -15.976
  798    H    GLU 110           H        GLU 110  28.922  18.930 -17.998
  799    HA   GLU 110           HA       GLU 110  27.509  16.811 -19.211
  800    HB2  GLU 110           HB2      GLU 110  29.746  17.635 -19.891
  801    HB3  GLU 110           HB3      GLU 110  30.453  16.941 -18.425
  802    HG2  GLU 110           HG2      GLU 110  29.806  14.672 -19.167
  803    HG3  GLU 110           HG3      GLU 110  28.986  15.348 -20.577
  804    H    VAL 111           H        VAL 111  29.112  16.988 -15.999
  805    HA   VAL 111           HA       VAL 111  28.798  14.179 -15.388
  806    HB   VAL 111           HB       VAL 111  29.209  16.588 -13.605
  807   HG11  VAL 111          HG11      VAL 111  30.044  14.853 -11.938
  808   HG12  VAL 111          HG12      VAL 111  28.299  14.876 -12.193
  809   HG13  VAL 111          HG13      VAL 111  29.297  13.623 -12.971
  810   HG21  VAL 111          HG21      VAL 111  31.569  15.823 -13.500
  811   HG22  VAL 111          HG22      VAL 111  31.194  14.508 -14.632
  812   HG23  VAL 111          HG23      VAL 111  31.112  16.198 -15.163
  813    H    PHE 112           H        PHE 112  26.977  17.199 -14.656
  814    HA   PHE 112           HA       PHE 112  24.889  16.045 -13.148
  815    HB2  PHE 112           HB2      PHE 112  25.125  18.489 -14.910
  816    HB3  PHE 112           HB3      PHE 112  23.553  17.961 -14.381
  817    HD1  PHE 112           HD1      PHE 112  22.897  17.867 -12.007
  818    HD2  PHE 112           HD2      PHE 112  26.653  19.546 -13.318
  819    HE1  PHE 112           HE1      PHE 112  23.161  19.007  -9.819
  820    HE2  PHE 112           HE2      PHE 112  26.924  20.636 -11.110
  821    HZ   PHE 112           HZ       PHE 112  25.231  20.298  -9.368
  822    H    ARG 113           H        ARG 113  24.989  16.614 -16.729
  823    HA   ARG 113           HA       ARG 113  22.495  15.353 -17.193
  824    HB2  ARG 113           HB2      ARG 113  24.928  15.823 -18.989
  825    HB3  ARG 113           HB3      ARG 113  23.429  15.081 -19.583
  826    HG2  ARG 113           HG2      ARG 113  22.127  17.023 -18.852
  827    HG3  ARG 113           HG3      ARG 113  23.574  17.781 -18.195
  828    HD2  ARG 113           HD2      ARG 113  22.759  18.709 -20.360
  829    HD3  ARG 113           HD3      ARG 113  24.467  18.290 -20.256
  830    HE   ARG 113           HE       ARG 113  24.253  16.741 -21.889
  831   HH11  ARG 113          HH11      ARG 113  20.913  17.565 -20.866
  832   HH12  ARG 113          HH12      ARG 113  20.199  16.656 -22.152
  833   HH21  ARG 113          HH21      ARG 113  23.254  15.547 -23.549
  834   HH22  ARG 113          HH22      ARG 113  21.540  15.476 -23.678
  835    H    THR 114           H        THR 114  25.797  13.871 -17.080
  836    HA   THR 114           HA       THR 114  24.974  11.336 -18.001
  837    HB   THR 114           HB       THR 114  27.219  12.228 -16.124
  838    HG1  THR 114           HG1      THR 114  27.471  13.234 -18.029
  839   HG21  THR 114          HG21      THR 114  28.377  10.194 -16.924
  840   HG22  THR 114          HG22      THR 114  26.927   9.831 -15.970
  841   HG23  THR 114          HG23      THR 114  26.875   9.686 -17.747
  842    H    VAL 115           H        VAL 115  25.325  12.634 -14.615
  843    HA   VAL 115           HA       VAL 115  24.349  10.242 -13.427
  844    HB   VAL 115           HB       VAL 115  24.657  13.049 -12.431
  845   HG11  VAL 115          HG11      VAL 115  23.770  10.584 -10.900
  846   HG12  VAL 115          HG12      VAL 115  24.503  11.972 -10.099
  847   HG13  VAL 115          HG13      VAL 115  22.977  12.163 -10.972
  848   HG21  VAL 115          HG21      VAL 115  26.767  11.873 -12.959
  849   HG22  VAL 115          HG22      VAL 115  26.603  12.101 -11.220
  850   HG23  VAL 115          HG23      VAL 115  26.267  10.508 -11.940
  851    H    ARG 116           H        ARG 116  22.629  13.336 -14.279
  852    HA   ARG 116           HA       ARG 116  20.185  12.544 -13.127
  853    HB2  ARG 116           HB2      ARG 116  20.697  14.819 -13.785
  854    HB3  ARG 116           HB3      ARG 116  20.763  14.407 -15.484
  855    HG2  ARG 116           HG2      ARG 116  18.283  13.796 -13.874
  856    HG3  ARG 116           HG3      ARG 116  18.587  15.449 -14.235
  857    HD2  ARG 116           HD2      ARG 116  17.305  13.468 -15.857
  858    HD3  ARG 116           HD3      ARG 116  17.384  15.215 -16.081
  859    HE   ARG 116           HE       ARG 116  19.063  13.130 -17.338
  860   HH11  ARG 116          HH11      ARG 116  18.182  16.565 -17.186
  861   HH12  ARG 116          HH12      ARG 116  19.360  17.044 -18.377
  862   HH21  ARG 116          HH21      ARG 116  20.550  13.786 -18.996
  863   HH22  ARG 116          HH22      ARG 116  20.526  15.425 -19.544
  864    H    GLY 117           H        GLY 117  21.488  11.907 -16.416
  865    HA2  GLY 117           HA2      GLY 117  19.218  10.541 -17.415
  866    HA3  GLY 117           HA3      GLY 117  20.906  10.309 -17.944
  867    H    GLN 118           H        GLN 118  22.150   9.239 -15.655
  868    HA   GLN 118           HA       GLN 118  21.265   6.547 -15.759
  869    HB2  GLN 118           HB2      GLN 118  23.139   8.001 -13.850
  870    HB3  GLN 118           HB3      GLN 118  22.741   6.289 -13.713
  871    HG2  GLN 118           HG2      GLN 118  23.531   6.066 -16.171
  872    HG3  GLN 118           HG3      GLN 118  24.236   7.671 -15.950
  873   HE21  GLN 118          HE22      GLN 118  26.462   7.348 -15.655
  874   HE22  GLN 118          HE21      GLN 118  27.149   6.154 -14.583
  875    H    VAL 119           H        VAL 119  21.047   8.895 -13.083
  876    HA   VAL 119           HA       VAL 119  19.466   7.518 -11.282
  877    HB   VAL 119           HB       VAL 119  19.401  10.482 -12.007
  878   HG11  VAL 119          HG11      VAL 119  17.299   9.991 -10.850
  879   HG12  VAL 119          HG12      VAL 119  18.167   9.098  -9.591
  880   HG13  VAL 119          HG13      VAL 119  18.387  10.854  -9.761
  881   HG21  VAL 119          HG21      VAL 119  20.817  10.765 -10.044
  882   HG22  VAL 119          HG22      VAL 119  20.633   9.059  -9.598
  883   HG23  VAL 119          HG23      VAL 119  21.562   9.507 -11.033
  884    H    LYS 120           H        LYS 120  18.153   9.464 -14.112
  885    HA   LYS 120           HA       LYS 120  15.481   8.814 -13.428
  886    HB2  LYS 120           HB2      LYS 120  16.003  10.672 -14.915
  887    HB3  LYS 120           HB3      LYS 120  16.769   9.587 -16.086
  888    HG2  LYS 120           HG2      LYS 120  14.608   8.514 -16.563
  889    HG3  LYS 120           HG3      LYS 120  13.810   9.538 -15.349
  890    HD2  LYS 120           HD2      LYS 120  14.370  11.541 -16.630
  891    HD3  LYS 120           HD3      LYS 120  15.267  10.596 -17.821
  892    HE2  LYS 120           HE2      LYS 120  12.283  10.268 -17.240
  893    HE3  LYS 120           HE3      LYS 120  12.941  11.283 -18.526
  894    HZ1  LYS 120           HZ1      LYS 120  12.328   9.171 -19.416
  895    HZ2  LYS 120           HZ2      LYS 120  13.950   9.273 -19.487
  896    HZ3  LYS 120           HZ3      LYS 120  13.226   8.328 -18.349
  897    H    GLU 121           H        GLU 121  17.730   7.208 -15.680
  898    HA   GLU 121           HA       GLU 121  15.987   5.191 -16.622
  899    HB2  GLU 121           HB2      GLU 121  17.889   5.149 -17.869
  900    HB3  GLU 121           HB3      GLU 121  18.851   5.863 -16.571
  901    HG2  GLU 121           HG2      GLU 121  19.400   3.890 -15.577
  902    HG3  GLU 121           HG3      GLU 121  18.235   2.929 -16.524
  903    H    ARG 122           H        ARG 122  18.063   5.357 -13.729
  904    HA   ARG 122           HA       ARG 122  17.565   2.614 -12.985
  905    HB2  ARG 122           HB2      ARG 122  18.723   4.976 -11.481
  906    HB3  ARG 122           HB3      ARG 122  18.655   3.317 -10.866
  907    HG2  ARG 122           HG2      ARG 122  20.210   2.475 -12.381
  908    HG3  ARG 122           HG3      ARG 122  20.115   3.884 -13.438
  909    HD2  ARG 122           HD2      ARG 122  21.061   5.317 -11.659
  910    HD3  ARG 122           HD3      ARG 122  21.174   3.928 -10.584
  911    HE   ARG 122           HE       ARG 122  22.870   4.545 -12.922
  912   HH11  ARG 122          HH11      ARG 122  22.105   2.135 -10.423
  913   HH12  ARG 122          HH12      ARG 122  23.649   1.367 -10.519
  914   HH21  ARG 122          HH21      ARG 122  24.906   3.653 -12.955
  915   HH22  ARG 122          HH22      ARG 122  25.301   2.255 -12.001
  916    H    VAL 123           H        VAL 123  16.109   5.762 -11.727
  917    HA   VAL 123           HA       VAL 123  14.210   4.622 -10.072
  918    HB   VAL 123           HB       VAL 123  14.005   7.030 -11.931
  919   HG11  VAL 123          HG11      VAL 123  12.171   6.223  -9.629
  920   HG12  VAL 123          HG12      VAL 123  12.177   7.804 -10.448
  921   HG13  VAL 123          HG13      VAL 123  11.733   6.355 -11.345
  922   HG21  VAL 123          HG21      VAL 123  14.430   8.346  -9.901
  923   HG22  VAL 123          HG22      VAL 123  14.530   6.866  -8.936
  924   HG23  VAL 123          HG23      VAL 123  15.756   7.214 -10.147
  925    H    GLU 124           H        GLU 124  13.943   5.078 -13.700
  926    HA   GLU 124           HA       GLU 124  11.392   3.887 -13.854
  927    HB2  GLU 124           HB2      GLU 124  13.645   3.963 -15.921
  928    HB3  GLU 124           HB3      GLU 124  12.032   3.337 -16.254
  929    HG2  GLU 124           HG2      GLU 124  11.058   5.550 -15.691
  930    HG3  GLU 124           HG3      GLU 124  12.693   6.179 -15.428
  931    H    ASN 125           H        ASN 125  14.614   2.442 -13.898
  932    HA   ASN 125           HA       ASN 125  13.866  -0.201 -14.554
  933    HB2  ASN 125           HB2      ASN 125  16.226   0.962 -14.397
  934    HB3  ASN 125           HB3      ASN 125  16.209   0.414 -12.725
  935   HD21  ASN 125          HD22      ASN 125  16.792  -0.416 -15.989
  936   HD22  ASN 125          HD21      ASN 125  17.020  -2.137 -15.780
  937    H    LEU 126           H        LEU 126  14.306   1.391 -11.405
  938    HA   LEU 126           HA       LEU 126  13.638  -0.886  -9.873
  939    HB2  LEU 126           HB2      LEU 126  14.178   0.224  -8.060
  940    HB3  LEU 126           HB3      LEU 126  14.815   1.397  -9.195
  941    HG   LEU 126           HG       LEU 126  12.408   2.455  -9.021
  942   HD11  LEU 126          HD11      LEU 126  12.580   1.181  -6.262
  943   HD12  LEU 126          HD12      LEU 126  11.247   2.127  -6.952
  944   HD13  LEU 126          HD13      LEU 126  11.589   0.485  -7.528
  945   HD21  LEU 126          HD21      LEU 126  13.139   3.845  -7.150
  946   HD22  LEU 126          HD22      LEU 126  14.355   2.631  -6.699
  947   HD23  LEU 126          HD23      LEU 126  14.505   3.513  -8.224
  948    H    ILE 127           H        ILE 127  11.594   1.787 -11.012
  949    HA   ILE 127           HA       ILE 127   9.128   0.886  -9.915
  950    HB   ILE 127           HB       ILE 127   9.943   2.470 -12.371
  951   HG12  ILE 127          HG12      ILE 127   8.481   3.412  -9.855
  952   HG13  ILE 127          HG13      ILE 127  10.236   3.419  -9.983
  953   HG21  ILE 127          HG21      ILE 127   7.500   3.189 -12.518
  954   HG22  ILE 127          HG22      ILE 127   7.884   1.565 -13.041
  955   HG23  ILE 127          HG23      ILE 127   7.130   1.806 -11.449
  956   HD11  ILE 127          HD11      ILE 127   8.329   5.033 -11.728
  957   HD12  ILE 127          HD12      ILE 127   9.449   5.633 -10.500
  958   HD13  ILE 127          HD13      ILE 127  10.071   4.906 -11.997
  959    H    ALA 128           H        ALA 128  10.879  -0.182 -12.873
  960    HA   ALA 128           HA       ALA 128   8.675  -1.512 -14.028
  961    HB1  ALA 128           HB1      ALA 128  11.614  -2.275 -14.309
  962    HB2  ALA 128           HB2      ALA 128  10.296  -2.697 -15.414
  963    HB3  ALA 128           HB3      ALA 128  10.785  -1.002 -15.239
  964    H    LYS 129           H        LYS 129  10.910  -2.559 -11.539
  965    HA   LYS 129           HA       LYS 129  10.332  -5.322 -11.378
  966    HB2  LYS 129           HB2      LYS 129  11.061  -3.324  -9.240
  967    HB3  LYS 129           HB3      LYS 129  11.189  -5.073  -9.064
  968    HG2  LYS 129           HG2      LYS 129  12.955  -5.157 -10.773
  969    HG3  LYS 129           HG3      LYS 129  12.791  -3.411 -11.062
  970    HD2  LYS 129           HD2      LYS 129  13.295  -2.981  -8.660
  971    HD3  LYS 129           HD3      LYS 129  13.548  -4.728  -8.437
  972    HE2  LYS 129           HE2      LYS 129  15.395  -4.573 -10.185
  973    HE3  LYS 129           HE3      LYS 129  15.172  -2.815 -10.176
  974    HZ1  LYS 129           HZ1      LYS 129  15.706  -2.865  -7.782
  975    HZ2  LYS 129           HZ2      LYS 129  15.991  -4.477  -7.861
  976    HZ3  LYS 129           HZ3      LYS 129  16.956  -3.431  -8.658
  977    H    ILE 130           H        ILE 130   8.506  -2.518 -10.197
  978    HA   ILE 130           HA       ILE 130   6.797  -4.184  -8.527
  979    HB   ILE 130           HB       ILE 130   6.580  -1.927  -7.315
  980   HG12  ILE 130          HG12      ILE 130   8.893  -1.192  -9.040
  981   HG13  ILE 130          HG13      ILE 130   7.398  -0.315  -8.741
  982   HG21  ILE 130          HG21      ILE 130   8.558  -2.516  -5.949
  983   HG22  ILE 130          HG22      ILE 130   7.905  -4.016  -6.605
  984   HG23  ILE 130          HG23      ILE 130   9.324  -3.268  -7.371
  985   HD11  ILE 130          HD11      ILE 130   9.249   0.774  -7.626
  986   HD12  ILE 130          HD12      ILE 130   8.239   0.002  -6.358
  987   HD13  ILE 130          HD13      ILE 130   9.769  -0.730  -6.872
  988    H    SER 131           H        SER 131   6.720  -1.898 -11.054
  989    HA   SER 131           HA       SER 131   4.241  -0.790 -11.139
  990    HB2  SER 131           HB2      SER 131   5.688  -2.186 -13.422
  991    HB3  SER 131           HB3      SER 131   4.298  -1.103 -13.621
  992    HG   SER 131           HG       SER 131   6.800  -0.448 -12.414
  Start of MODEL   18
    1    H    MET   1           H        MET   1   1.495  -1.294  -2.641
    2    HA   MET   1           HA       MET   1   2.410   0.633  -3.699
    3    HB2  MET   1           HB2      MET   1   0.849   2.282  -2.936
    4    HB3  MET   1           HB3      MET   1   1.320   2.069  -1.245
    5    HG2  MET   1           HG2      MET   1   3.417   3.122  -1.569
    6    HG3  MET   1           HG3      MET   1   3.300   3.039  -3.318
    7    HE1  MET   1           HE1      MET   1   0.932   5.883  -4.353
    8    HE2  MET   1           HE2      MET   1   2.179   4.733  -4.871
    9    HE3  MET   1           HE3      MET   1   0.602   4.141  -4.301
   10    H    LYS   2           H        LYS   2   4.579   0.968  -3.466
   11    HA   LYS   2           HA       LYS   2   5.891  -0.201  -1.020
   12    HB2  LYS   2           HB2      LYS   2   6.828   0.070  -3.916
   13    HB3  LYS   2           HB3      LYS   2   7.930  -0.178  -2.582
   14    HG2  LYS   2           HG2      LYS   2   7.619  -2.296  -3.445
   15    HG3  LYS   2           HG3      LYS   2   6.607  -2.292  -2.002
   16    HD2  LYS   2           HD2      LYS   2   4.590  -2.057  -3.375
   17    HD3  LYS   2           HD3      LYS   2   5.564  -1.753  -4.828
   18    HE2  LYS   2           HE2      LYS   2   6.562  -4.068  -4.540
   19    HE3  LYS   2           HE3      LYS   2   5.411  -4.347  -3.230
   20    HZ1  LYS   2           HZ1      LYS   2   4.581  -5.228  -5.305
   21    HZ2  LYS   2           HZ2      LYS   2   3.615  -3.998  -4.857
   22    HZ3  LYS   2           HZ3      LYS   2   4.710  -3.789  -6.068
   23    H    LYS   3           H        LYS   3   7.255   1.168   0.157
   24    HA   LYS   3           HA       LYS   3   7.409   3.992  -0.749
   25    HB2  LYS   3           HB2      LYS   3   7.685   2.588   1.885
   26    HB3  LYS   3           HB3      LYS   3   8.843   3.867   1.592
   27    HG2  LYS   3           HG2      LYS   3   6.998   5.412   0.898
   28    HG3  LYS   3           HG3      LYS   3   5.832   4.178   1.430
   29    HD2  LYS   3           HD2      LYS   3   6.732   4.316   3.715
   30    HD3  LYS   3           HD3      LYS   3   8.003   5.440   3.178
   31    HE2  LYS   3           HE2      LYS   3   6.186   7.013   2.409
   32    HE3  LYS   3           HE3      LYS   3   4.998   5.910   3.125
   33    HZ1  LYS   3           HZ1      LYS   3   5.483   7.613   4.704
   34    HZ2  LYS   3           HZ2      LYS   3   6.192   6.235   5.265
   35    HZ3  LYS   3           HZ3      LYS   3   7.100   7.410   4.571
   36    H    VAL   4           H        VAL   4   9.260   4.860  -1.657
   37    HA   VAL   4           HA       VAL   4  11.708   3.184  -1.532
   38    HB   VAL   4           HB       VAL   4  10.728   3.374  -3.723
   39   HG11  VAL   4          HG11      VAL   4   9.565   5.496  -3.716
   40   HG12  VAL   4          HG12      VAL   4  11.118   6.365  -3.594
   41   HG13  VAL   4          HG13      VAL   4  10.733   5.437  -5.044
   42   HG21  VAL   4          HG21      VAL   4  13.256   5.104  -3.638
   43   HG22  VAL   4          HG22      VAL   4  13.283   3.353  -3.409
   44   HG23  VAL   4          HG23      VAL   4  12.722   4.034  -4.941
   45    H    MET   5           H        MET   5  13.504   4.032  -0.795
   46    HA   MET   5           HA       MET   5  13.542   6.980  -0.131
   47    HB2  MET   5           HB2      MET   5  13.575   5.603   1.906
   48    HB3  MET   5           HB3      MET   5  14.917   4.661   1.256
   49    HG2  MET   5           HG2      MET   5  15.777   6.284   2.850
   50    HG3  MET   5           HG3      MET   5  16.334   6.662   1.241
   51    HE1  MET   5           HE1      MET   5  14.834   8.140   4.424
   52    HE2  MET   5           HE2      MET   5  13.467   9.119   3.851
   53    HE3  MET   5           HE3      MET   5  13.422   7.350   3.694
   54    H    PHE   6           H        PHE   6  15.287   8.151  -0.849
   55    HA   PHE   6           HA       PHE   6  17.480   6.707  -2.268
   56    HB2  PHE   6           HB2      PHE   6  16.480   9.488  -2.842
   57    HB3  PHE   6           HB3      PHE   6  17.865   8.662  -3.580
   58    HD1  PHE   6           HD1      PHE   6  17.544   6.714  -5.076
   59    HD2  PHE   6           HD2      PHE   6  14.199   8.965  -3.526
   60    HE1  PHE   6           HE1      PHE   6  16.076   5.739  -6.849
   61    HE2  PHE   6           HE2      PHE   6  12.747   7.886  -5.274
   62    HZ   PHE   6           HZ       PHE   6  13.669   6.324  -6.894
   63    H    VAL   7           H        VAL   7  19.485   7.009  -1.131
   64    HA   VAL   7           HA       VAL   7  19.587   9.181   0.928
   65    HB   VAL   7           HB       VAL   7  20.749   6.365   1.083
   66   HG11  VAL   7          HG11      VAL   7  21.292   6.906   3.384
   67   HG12  VAL   7          HG12      VAL   7  22.058   8.072   2.325
   68   HG13  VAL   7          HG13      VAL   7  20.586   8.537   3.211
   69   HG21  VAL   7          HG21      VAL   7  18.270   7.509   2.403
   70   HG22  VAL   7          HG22      VAL   7  18.404   6.103   1.301
   71   HG23  VAL   7          HG23      VAL   7  19.082   6.014   2.922
   72    H    CYS   8           H        CYS   8  21.155  10.666   0.340
   73    HA   CYS   8           HA       CYS   8  23.610   9.578  -0.995
   74    HB2  CYS   8           HB2      CYS   8  22.307  11.056  -2.505
   75    HB3  CYS   8           HB3      CYS   8  22.322  12.340  -1.305
   76    HG   CYS   8           HG       CYS   8  23.950  12.918  -3.325
   77    H    LYS   9           H        LYS   9  25.609  10.684  -0.584
   78    HA   LYS   9           HA       LYS   9  26.138  10.914   2.216
   79    HB2  LYS   9           HB2      LYS   9  27.620  10.938  -0.320
   80    HB3  LYS   9           HB3      LYS   9  28.212  12.226   0.739
   81    HG2  LYS   9           HG2      LYS   9  28.537  10.597   2.562
   82    HG3  LYS   9           HG3      LYS   9  27.921   9.296   1.513
   83    HD2  LYS   9           HD2      LYS   9  29.779   9.637  -0.054
   84    HD3  LYS   9           HD3      LYS   9  30.369  11.012   0.910
   85    HE2  LYS   9           HE2      LYS   9  30.645   9.456   2.870
   86    HE3  LYS   9           HE3      LYS   9  30.190   8.103   1.827
   87    HZ1  LYS   9           HZ1      LYS   9  32.590   8.330   1.996
   88    HZ2  LYS   9           HZ2      LYS   9  32.145   8.620   0.452
   89    HZ3  LYS   9           HZ3      LYS   9  32.553   9.857   1.441
   90    H    ARG  10           H        ARG  10  24.818  13.253   0.003
   91    HA   ARG  10           HA       ARG  10  25.145  15.405   2.030
   92    HB2  ARG  10           HB2      ARG  10  25.519  16.978   0.052
   93    HB3  ARG  10           HB3      ARG  10  26.843  16.011   0.624
   94    HG2  ARG  10           HG2      ARG  10  25.211  14.960  -1.712
   95    HG3  ARG  10           HG3      ARG  10  26.269  16.316  -1.975
   96    HD2  ARG  10           HD2      ARG  10  27.170  13.607  -0.960
   97    HD3  ARG  10           HD3      ARG  10  27.410  14.243  -2.572
   98    HE   ARG  10           HE       ARG  10  29.015  14.730  -0.262
   99   HH11  ARG  10          HH11      ARG  10  27.998  16.345  -3.296
  100   HH12  ARG  10          HH12      ARG  10  29.095  17.687  -3.058
  101   HH21  ARG  10          HH22      ARG  10  30.602  16.389  -0.144
  102   HH22  ARG  10          HH21      ARG  10  30.694  17.590  -1.377
  103    H    ASN  11           H        ASN  11  22.829  13.681   0.470
  104    HA   ASN  11           HA       ASN  11  20.864  14.033  -0.557
  105    HB2  ASN  11           HB2      ASN  11  20.399  14.124   1.898
  106    HB3  ASN  11           HB3      ASN  11  20.246  15.867   1.738
  107   HD21  ASN  11          HD22      ASN  11  17.957  14.916   2.589
  108   HD22  ASN  11          HD21      ASN  11  16.798  14.625   1.300
  109    H    SER  12           H        SER  12  22.762  15.958  -1.814
  110    HA   SER  12           HA       SER  12  21.126  18.415  -2.043
  111    HB2  SER  12           HB2      SER  12  23.226  19.354  -2.955
  112    HB3  SER  12           HB3      SER  12  23.372  18.728  -1.298
  113    HG   SER  12           HG       SER  12  25.086  18.056  -2.707
  114    H    CYS  13           H        CYS  13  22.561  15.833  -4.056
  115    HA   CYS  13           HA       CYS  13  21.148  16.979  -6.427
  116    HB2  CYS  13           HB2      CYS  13  23.914  15.726  -6.455
  117    HB3  CYS  13           HB3      CYS  13  23.078  16.572  -7.767
  118    HG   CYS  13           HG       CYS  13  24.160  17.690  -4.850
  119    H    ARG  14           H        ARG  14  23.061  13.934  -5.711
  120    HA   ARG  14           HA       ARG  14  21.808  12.507  -7.727
  121    HB2  ARG  14           HB2      ARG  14  22.837  11.369  -5.096
  122    HB3  ARG  14           HB3      ARG  14  22.374  10.387  -6.485
  123    HG2  ARG  14           HG2      ARG  14  24.200  11.333  -7.829
  124    HG3  ARG  14           HG3      ARG  14  24.669  12.369  -6.462
  125    HD2  ARG  14           HD2      ARG  14  24.794  10.260  -5.051
  126    HD3  ARG  14           HD3      ARG  14  24.634   9.321  -6.535
  127    HE   ARG  14           HE       ARG  14  26.738  10.509  -7.301
  128   HH11  ARG  14          HH21      ARG  14  26.123  10.105  -3.807
  129   HH12  ARG  14          HH22      ARG  14  27.803  10.078  -3.388
  130   HH21  ARG  14          HH11      ARG  14  28.941  10.131  -6.704
  131   HH22  ARG  14          HH12      ARG  14  29.431  10.308  -5.046
  132    H    SER  15           H        SER  15  20.870  12.508  -4.238
  133    HA   SER  15           HA       SER  15  18.716  10.646  -4.488
  134    HB2  SER  15           HB2      SER  15  18.255  11.565  -2.134
  135    HB3  SER  15           HB3      SER  15  19.869  10.921  -2.388
  136    HG   SER  15           HG       SER  15  19.218  13.391  -1.662
  137    H    GLN  16           H        GLN  16  18.926  14.204  -4.303
  138    HA   GLN  16           HA       GLN  16  16.191  14.833  -4.133
  139    HB2  GLN  16           HB2      GLN  16  18.647  16.282  -5.219
  140    HB3  GLN  16           HB3      GLN  16  17.077  17.057  -5.206
  141    HG2  GLN  16           HG2      GLN  16  18.349  15.849  -2.714
  142    HG3  GLN  16           HG3      GLN  16  18.568  17.524  -3.183
  143   HE21  GLN  16          HE22      GLN  16  17.178  16.195  -0.837
  144   HE22  GLN  16          HE21      GLN  16  15.625  17.063  -0.780
  145    H    MET  17           H        MET  17  18.276  14.506  -7.051
  146    HA   MET  17           HA       MET  17  16.124  15.007  -8.916
  147    HB2  MET  17           HB2      MET  17  18.901  13.788  -9.097
  148    HB3  MET  17           HB3      MET  17  17.783  13.751 -10.452
  149    HG2  MET  17           HG2      MET  17  17.466  16.259 -10.133
  150    HG3  MET  17           HG3      MET  17  18.912  16.222  -9.125
  151    HE1  MET  17           HE1      MET  17  21.704  15.353 -11.700
  152    HE2  MET  17           HE2      MET  17  21.332  16.007 -10.087
  153    HE3  MET  17           HE3      MET  17  20.912  14.322 -10.486
  154    H    ALA  18           H        ALA  18  17.583  11.987  -7.571
  155    HA   ALA  18           HA       ALA  18  16.059  10.168  -9.038
  156    HB1  ALA  18           HB1      ALA  18  17.959   9.644  -7.411
  157    HB2  ALA  18           HB2      ALA  18  16.773   9.825  -6.108
  158    HB3  ALA  18           HB3      ALA  18  16.551   8.580  -7.353
  159    H    GLU  19           H        GLU  19  15.191  11.979  -6.110
  160    HA   GLU  19           HA       GLU  19  12.689  10.652  -5.772
  161    HB2  GLU  19           HB2      GLU  19  13.374  11.738  -3.856
  162    HB3  GLU  19           HB3      GLU  19  13.728  13.271  -4.678
  163    HG2  GLU  19           HG2      GLU  19  11.437  13.841  -4.880
  164    HG3  GLU  19           HG3      GLU  19  10.898  12.190  -4.602
  165    H    GLY  20           H        GLY  20  13.437  13.815  -7.309
  166    HA2  GLY  20           HA2      GLY  20  10.834  14.475  -8.131
  167    HA3  GLY  20           HA3      GLY  20  12.319  14.939  -8.975
  168    H    PHE  21           H        PHE  21  13.204  12.284  -9.851
  169    HA   PHE  21           HA       PHE  21  11.425  11.925 -12.082
  170    HB2  PHE  21           HB2      PHE  21  13.380   9.809 -11.177
  171    HB3  PHE  21           HB3      PHE  21  12.724  10.075 -12.783
  172    HD1  PHE  21           HD1      PHE  21  13.257  12.797 -13.564
  173    HD2  PHE  21           HD2      PHE  21  15.639  10.130 -11.153
  174    HE1  PHE  21           HE1      PHE  21  15.200  14.312 -13.810
  175    HE2  PHE  21           HE2      PHE  21  17.603  11.600 -11.492
  176    HZ   PHE  21           HZ       PHE  21  17.366  13.719 -12.707
  177    H    ALA  22           H        ALA  22  11.952  10.034  -9.039
  178    HA   ALA  22           HA       ALA  22  10.239   7.895  -9.657
  179    HB1  ALA  22           HB1      ALA  22  10.328   7.445  -7.223
  180    HB2  ALA  22           HB2      ALA  22  11.931   7.884  -7.850
  181    HB3  ALA  22           HB3      ALA  22  10.971   9.076  -6.965
  182    H    LYS  23           H        LYS  23   9.380  10.949  -7.849
  183    HA   LYS  23           HA       LYS  23   6.673  10.073  -7.557
  184    HB2  LYS  23           HB2      LYS  23   6.253  12.568  -7.072
  185    HB3  LYS  23           HB3      LYS  23   7.188  11.601  -5.956
  186    HG2  LYS  23           HG2      LYS  23   9.163  12.609  -6.394
  187    HG3  LYS  23           HG3      LYS  23   8.710  13.131  -8.037
  188    HD2  LYS  23           HD2      LYS  23   7.372  14.227  -5.530
  189    HD3  LYS  23           HD3      LYS  23   8.924  14.882  -6.102
  190    HE2  LYS  23           HE2      LYS  23   8.004  15.330  -8.318
  191    HE3  LYS  23           HE3      LYS  23   6.432  14.645  -7.852
  192    HZ1  LYS  23           HZ1      LYS  23   6.414  17.064  -7.720
  193    HZ2  LYS  23           HZ2      LYS  23   6.208  16.446  -6.229
  194    HZ3  LYS  23           HZ3      LYS  23   7.653  17.080  -6.661
  195    H    THR  24           H        THR  24   8.319  11.278 -10.400
  196    HA   THR  24           HA       THR  24   5.743  11.936 -11.592
  197    HB   THR  24           HB       THR  24   8.552  11.738 -12.791
  198    HG1  THR  24           HG1      THR  24   8.711  13.307 -11.280
  199   HG21  THR  24          HG21      THR  24   6.025  13.175 -13.680
  200   HG22  THR  24          HG22      THR  24   7.625  13.305 -14.463
  201   HG23  THR  24          HG23      THR  24   6.770  11.753 -14.449
  202    H    LEU  25           H        LEU  25   8.280   9.468 -11.844
  203    HA   LEU  25           HA       LEU  25   7.139   8.055 -14.045
  204    HB2  LEU  25           HB2      LEU  25   9.278   7.359 -11.993
  205    HB3  LEU  25           HB3      LEU  25   8.939   6.387 -13.419
  206    HG   LEU  25           HG       LEU  25   9.884   9.292 -13.548
  207   HD11  LEU  25          HD11      LEU  25  11.568   8.011 -12.473
  208   HD12  LEU  25          HD12      LEU  25  11.364   6.635 -13.565
  209   HD13  LEU  25          HD13      LEU  25  12.075   8.151 -14.164
  210   HD21  LEU  25          HD21      LEU  25  10.436   8.685 -15.892
  211   HD22  LEU  25          HD22      LEU  25   9.689   7.089 -15.656
  212   HD23  LEU  25          HD23      LEU  25   8.701   8.565 -15.580
  213    H    GLY  26           H        GLY  26   7.316   7.457 -10.557
  214    HA2  GLY  26           HA2      GLY  26   5.708   4.974 -10.904
  215    HA3  GLY  26           HA3      GLY  26   6.959   5.249  -9.695
  216    H    ALA  27           H        ALA  27   5.382   8.135  -9.513
  217    HA   ALA  27           HA       ALA  27   3.774   7.544  -7.278
  218    HB1  ALA  27           HB1      ALA  27   3.533   9.767  -9.362
  219    HB2  ALA  27           HB2      ALA  27   2.567   9.697  -7.870
  220    HB3  ALA  27           HB3      ALA  27   4.324   9.840  -7.768
  221    H    GLY  28           H        GLY  28   2.208   6.111  -7.161
  222    HA2  GLY  28           HA2      GLY  28  -0.183   5.661  -8.107
  223    HA3  GLY  28           HA3      GLY  28   0.711   5.293  -9.593
  224    H    LYS  29           H        LYS  29   3.059   4.161  -8.159
  225    HA   LYS  29           HA       LYS  29   1.899   1.801  -6.743
  226    HB2  LYS  29           HB2      LYS  29   3.509   0.322  -7.687
  227    HB3  LYS  29           HB3      LYS  29   2.571   1.039  -8.990
  228    HG2  LYS  29           HG2      LYS  29   5.247   2.261  -8.229
  229    HG3  LYS  29           HG3      LYS  29   5.244   0.743  -9.095
  230    HD2  LYS  29           HD2      LYS  29   3.783   3.223 -10.063
  231    HD3  LYS  29           HD3      LYS  29   5.472   2.856 -10.445
  232    HE2  LYS  29           HE2      LYS  29   4.841   0.678 -11.408
  233    HE3  LYS  29           HE3      LYS  29   3.136   1.000 -11.086
  234    HZ1  LYS  29           HZ1      LYS  29   4.846   2.565 -12.940
  235    HZ2  LYS  29           HZ2      LYS  29   3.699   1.497 -13.372
  236    HZ3  LYS  29           HZ3      LYS  29   3.266   2.879 -12.632
  237    H    ILE  30           H        ILE  30   4.360   4.282  -6.960
  238    HA   ILE  30           HA       ILE  30   5.315   3.339  -4.315
  239    HB   ILE  30           HB       ILE  30   7.500   4.412  -4.841
  240   HG12  ILE  30          HG12      ILE  30   6.809   4.176  -7.771
  241   HG13  ILE  30          HG13      ILE  30   6.554   5.694  -6.894
  242   HG21  ILE  30          HG21      ILE  30   8.378   2.506  -6.070
  243   HG22  ILE  30          HG22      ILE  30   7.223   2.013  -4.837
  244   HG23  ILE  30          HG23      ILE  30   6.735   2.007  -6.544
  245   HD11  ILE  30          HD11      ILE  30   9.253   4.300  -7.174
  246   HD12  ILE  30          HD12      ILE  30   8.699   5.732  -8.044
  247   HD13  ILE  30          HD13      ILE  30   8.887   5.827  -6.285
  248    H    ALA  31           H        ALA  31   6.003   4.796  -2.819
  249    HA   ALA  31           HA       ALA  31   5.373   7.689  -3.215
  250    HB1  ALA  31           HB1      ALA  31   3.831   6.769  -1.554
  251    HB2  ALA  31           HB2      ALA  31   5.156   5.905  -0.734
  252    HB3  ALA  31           HB3      ALA  31   5.085   7.680  -0.700
  253    H    VAL  32           H        VAL  32   7.211   8.938  -2.929
  254    HA   VAL  32           HA       VAL  32   9.696   7.518  -2.241
  255    HB   VAL  32           HB       VAL  32   9.465   8.063  -4.501
  256   HG11  VAL  32          HG11      VAL  32   8.682  10.889  -3.791
  257   HG12  VAL  32          HG12      VAL  32   9.185  10.350  -5.407
  258   HG13  VAL  32          HG13      VAL  32   7.738   9.664  -4.692
  259   HG21  VAL  32          HG21      VAL  32  11.215  10.282  -3.385
  260   HG22  VAL  32          HG22      VAL  32  11.691   8.573  -3.441
  261   HG23  VAL  32          HG23      VAL  32  11.336   9.457  -4.933
  262    H    THR  33           H        THR  33  11.433   8.589  -1.264
  263    HA   THR  33           HA       THR  33  11.133  11.297  -0.292
  264    HB   THR  33           HB       THR  33  12.046   9.057   1.567
  265    HG1  THR  33           HG1      THR  33   9.482  10.018   1.117
  266   HG21  THR  33          HG21      THR  33  11.271  11.954   2.129
  267   HG22  THR  33          HG22      THR  33  11.677  10.740   3.364
  268   HG23  THR  33          HG23      THR  33  12.903  11.254   2.206
  269    H    SER  34           H        SER  34  13.195  12.313  -0.472
  270    HA   SER  34           HA       SER  34  15.586  10.608  -0.760
  271    HB2  SER  34           HB2      SER  34  16.565  12.653  -1.779
  272    HB3  SER  34           HB3      SER  34  15.210  11.939  -2.672
  273    HG   SER  34           HG       SER  34  13.871  13.575  -1.859
  274    H    CYS  35           H        CYS  35  17.433  11.052   0.526
  275    HA   CYS  35           HA       CYS  35  17.230  12.832   2.822
  276    HB2  CYS  35           HB2      CYS  35  16.891   9.837   3.013
  277    HB3  CYS  35           HB3      CYS  35  17.677  10.743   4.311
  278    HG   CYS  35           HG       CYS  35  14.889  11.808   2.984
  279    H    GLY  36           H        GLY  36  19.379  12.087   4.229
  280    HA2  GLY  36           HA2      GLY  36  21.352  10.753   2.635
  281    HA3  GLY  36           HA3      GLY  36  21.647  12.501   2.697
  282    H    LEU  37           H        LEU  37  23.499  10.865   3.559
  283    HA   LEU  37           HA       LEU  37  23.485  10.047   6.269
  284    HB2  LEU  37           HB2      LEU  37  25.709  10.934   4.402
  285    HB3  LEU  37           HB3      LEU  37  26.045  10.595   6.091
  286    HG   LEU  37           HG       LEU  37  25.213   8.328   5.906
  287   HD11  LEU  37          HD11      LEU  37  24.771   7.299   3.688
  288   HD12  LEU  37          HD12      LEU  37  23.531   8.441   4.184
  289   HD13  LEU  37          HD13      LEU  37  24.742   8.917   2.960
  290   HD21  LEU  37          HD21      LEU  37  27.595   8.801   5.480
  291   HD22  LEU  37          HD22      LEU  37  27.028   7.401   4.556
  292   HD23  LEU  37          HD23      LEU  37  27.246   8.963   3.746
  293    H    GLU  38           H        GLU  38  24.067  13.223   4.862
  294    HA   GLU  38           HA       GLU  38  23.288  14.493   7.323
  295    HB2  GLU  38           HB2      GLU  38  25.757  14.358   7.628
  296    HB3  GLU  38           HB3      GLU  38  26.000  15.105   6.047
  297    HG2  GLU  38           HG2      GLU  38  26.353  16.693   7.883
  298    HG3  GLU  38           HG3      GLU  38  25.045  17.204   6.834
  299    H    SER  39           H        SER  39  22.514  16.622   6.813
  300    HA   SER  39           HA       SER  39  21.594  16.828   4.005
  301    HB2  SER  39           HB2      SER  39  20.977  18.525   6.459
  302    HB3  SER  39           HB3      SER  39  20.223  18.700   4.860
  303    HG   SER  39           HG       SER  39  20.196  16.371   6.478
  304    H    SER  40           H        SER  40  21.995  18.429   2.624
  305    HA   SER  40           HA       SER  40  23.460  20.867   3.275
  306    HB2  SER  40           HB2      SER  40  24.215  19.041   0.937
  307    HB3  SER  40           HB3      SER  40  24.867  20.650   1.262
  308    HG   SER  40           HG       SER  40  26.274  19.022   1.997
  309    H    ARG  41           H        ARG  41  22.845  22.482   1.469
  310    HA   ARG  41           HA       ARG  41  20.080  22.326   1.011
  311    HB2  ARG  41           HB2      ARG  41  20.307  24.319  -0.325
  312    HB3  ARG  41           HB3      ARG  41  21.352  24.440   1.087
  313    HG2  ARG  41           HG2      ARG  41  23.318  23.820  -0.366
  314    HG3  ARG  41           HG3      ARG  41  22.234  23.791  -1.769
  315    HD2  ARG  41           HD2      ARG  41  21.641  26.164  -1.361
  316    HD3  ARG  41           HD3      ARG  41  22.760  26.218   0.001
  317    HE   ARG  41           HE       ARG  41  23.367  26.237  -2.862
  318   HH11  ARG  41          HH11      ARG  41  24.756  25.793   0.379
  319   HH12  ARG  41          HH12      ARG  41  26.379  26.080  -0.125
  320   HH21  ARG  41          HH21      ARG  41  25.529  26.619  -3.530
  321   HH22  ARG  41          HH22      ARG  41  26.822  26.565  -2.395
  322    H    VAL  42           H        VAL  42  18.839  22.002  -0.886
  323    HA   VAL  42           HA       VAL  42  19.850  20.004  -2.729
  324    HB   VAL  42           HB       VAL  42  17.571  19.850  -2.221
  325   HG11  VAL  42          HG11      VAL  42  16.944  22.079  -1.525
  326   HG12  VAL  42          HG12      VAL  42  17.133  22.691  -3.190
  327   HG13  VAL  42          HG13      VAL  42  15.861  21.511  -2.796
  328   HG21  VAL  42          HG21      VAL  42  16.585  19.807  -4.445
  329   HG22  VAL  42          HG22      VAL  42  17.773  20.988  -5.049
  330   HG23  VAL  42          HG23      VAL  42  18.298  19.368  -4.580
  331    H    HIS  43           H        HIS  43  20.667  20.363  -4.706
  332    HA   HIS  43           HA       HIS  43  22.049  22.904  -4.877
  333    HB2  HIS  43           HB2      HIS  43  22.870  20.473  -5.244
  334    HB3  HIS  43           HB3      HIS  43  22.227  20.635  -6.878
  335    HD1  HIS  43           HD1      HIS  43  23.897  21.891  -8.531
  336    HD2  HIS  43           HD2      HIS  43  24.800  22.322  -4.450
  337    HE1  HIS  43           HE1      HIS  43  26.115  23.141  -8.414
  338    HA   PRO  44           HA       PRO  44  19.166  24.727  -7.558
  339    HB2  PRO  44           HB2      PRO  44  20.487  26.836  -8.706
  340    HB3  PRO  44           HB3      PRO  44  20.152  26.737  -6.951
  341    HG2  PRO  44           HG2      PRO  44  22.719  26.043  -8.401
  342    HG3  PRO  44           HG3      PRO  44  22.513  26.991  -6.897
  343    HD2  PRO  44           HD2      PRO  44  23.165  24.319  -6.946
  344    HD3  PRO  44           HD3      PRO  44  22.222  25.055  -5.609
  345    H    THR  45           H        THR  45  22.234  24.116  -9.461
  346    HA   THR  45           HA       THR  45  20.888  24.238 -11.932
  347    HB   THR  45           HB       THR  45  23.310  22.604 -11.056
  348    HG1  THR  45           HG1      THR  45  24.490  24.433 -11.565
  349   HG21  THR  45          HG21      THR  45  24.168  22.914 -13.375
  350   HG22  THR  45          HG22      THR  45  22.750  21.881 -13.280
  351   HG23  THR  45          HG23      THR  45  22.560  23.551 -13.852
  352    H    ALA  46           H        ALA  46  20.838  21.696  -9.529
  353    HA   ALA  46           HA       ALA  46  20.027  19.432 -10.991
  354    HB1  ALA  46           HB1      ALA  46  20.403  19.820  -8.426
  355    HB2  ALA  46           HB2      ALA  46  18.677  20.378  -8.440
  356    HB3  ALA  46           HB3      ALA  46  19.094  18.723  -8.924
  357    H    ILE  47           H        ILE  47  18.190  22.356  -9.981
  358    HA   ILE  47           HA       ILE  47  15.624  21.465 -10.474
  359    HB   ILE  47           HB       ILE  47  16.884  24.222 -10.773
  360   HG12  ILE  47          HG12      ILE  47  15.398  23.208  -8.317
  361   HG13  ILE  47          HG13      ILE  47  17.135  23.035  -8.457
  362   HG21  ILE  47          HG21      ILE  47  13.996  23.420 -10.415
  363   HG22  ILE  47          HG22      ILE  47  14.597  25.095 -10.334
  364   HG23  ILE  47          HG23      ILE  47  14.735  24.189 -11.833
  365   HD11  ILE  47          HD11      ILE  47  16.611  25.026  -7.178
  366   HD12  ILE  47          HD12      ILE  47  17.427  25.464  -8.708
  367   HD13  ILE  47          HD13      ILE  47  15.697  25.716  -8.524
  368    H    ALA  48           H        ALA  48  18.151  22.837 -12.591
  369    HA   ALA  48           HA       ALA  48  16.471  23.473 -14.764
  370    HB1  ALA  48           HB1      ALA  48  19.503  23.155 -14.681
  371    HB2  ALA  48           HB2      ALA  48  18.559  24.009 -15.914
  372    HB3  ALA  48           HB3      ALA  48  18.627  24.633 -14.248
  373    H    MET  49           H        MET  49  18.615  20.767 -13.947
  374    HA   MET  49           HA       MET  49  18.366  19.340 -16.378
  375    HB2  MET  49           HB2      MET  49  18.701  17.946 -13.756
  376    HB3  MET  49           HB3      MET  49  19.467  17.639 -15.330
  377    HG2  MET  49           HG2      MET  49  20.147  19.592 -13.185
  378    HG3  MET  49           HG3      MET  49  21.131  18.387 -13.955
  379    HE1  MET  49           HE1      MET  49  22.002  18.746 -16.584
  380    HE2  MET  49           HE2      MET  49  20.435  19.368 -17.159
  381    HE3  MET  49           HE3      MET  49  21.927  20.304 -17.426
  382    H    MET  50           H        MET  50  16.444  19.263 -13.360
  383    HA   MET  50           HA       MET  50  14.697  17.148 -14.269
  384    HB2  MET  50           HB2      MET  50  14.453  19.178 -12.017
  385    HB3  MET  50           HB3      MET  50  13.268  17.906 -12.365
  386    HG2  MET  50           HG2      MET  50  15.659  16.483 -12.485
  387    HG3  MET  50           HG3      MET  50  16.033  17.686 -11.282
  388    HE1  MET  50           HE1      MET  50  12.218  15.538 -11.362
  389    HE2  MET  50           HE2      MET  50  13.432  15.502 -12.667
  390    HE3  MET  50           HE3      MET  50  13.370  14.199 -11.453
  391    H    GLU  51           H        GLU  51  14.636  20.720 -14.481
  392    HA   GLU  51           HA       GLU  51  12.148  20.880 -15.826
  393    HB2  GLU  51           HB2      GLU  51  14.649  22.546 -15.734
  394    HB3  GLU  51           HB3      GLU  51  13.411  22.927 -16.936
  395    HG2  GLU  51           HG2      GLU  51  11.717  23.055 -15.085
  396    HG3  GLU  51           HG3      GLU  51  13.014  22.828 -13.911
  397    H    GLU  52           H        GLU  52  15.305  19.789 -17.043
  398    HA   GLU  52           HA       GLU  52  14.645  19.867 -19.804
  399    HB2  GLU  52           HB2      GLU  52  16.383  17.717 -18.511
  400    HB3  GLU  52           HB3      GLU  52  16.300  18.141 -20.207
  401    HG2  GLU  52           HG2      GLU  52  17.075  20.473 -19.660
  402    HG3  GLU  52           HG3      GLU  52  17.327  19.931 -18.004
  403    H    VAL  53           H        VAL  53  14.017  17.461 -17.255
  404    HA   VAL  53           HA       VAL  53  12.494  15.841 -19.236
  405    HB   VAL  53           HB       VAL  53  12.344  14.210 -17.357
  406   HG11  VAL  53          HG11      VAL  53  13.913  13.945 -19.204
  407   HG12  VAL  53          HG12      VAL  53  15.094  14.994 -18.401
  408   HG13  VAL  53          HG13      VAL  53  14.672  13.418 -17.695
  409   HG21  VAL  53          HG21      VAL  53  13.819  14.301 -15.516
  410   HG22  VAL  53          HG22      VAL  53  14.547  15.830 -16.058
  411   HG23  VAL  53          HG23      VAL  53  12.868  15.794 -15.487
  412    H    GLY  54           H        GLY  54  11.747  18.537 -17.608
  413    HA2  GLY  54           HA2      GLY  54   9.685  19.548 -17.670
  414    HA3  GLY  54           HA3      GLY  54   8.912  18.003 -18.054
  415    H    ILE  55           H        ILE  55  11.064  18.347 -15.285
  416    HA   ILE  55           HA       ILE  55   8.761  18.338 -13.381
  417    HB   ILE  55           HB       ILE  55  11.301  16.713 -13.121
  418   HG12  ILE  55          HG12      ILE  55   8.617  15.403 -13.663
  419   HG13  ILE  55          HG13      ILE  55   9.604  15.908 -15.015
  420   HG21  ILE  55          HG21      ILE  55   8.725  16.839 -11.488
  421   HG22  ILE  55          HG22      ILE  55   9.781  15.436 -11.409
  422   HG23  ILE  55          HG23      ILE  55  10.410  16.975 -10.906
  423   HD11  ILE  55          HD11      ILE  55  11.513  14.651 -14.225
  424   HD12  ILE  55          HD12      ILE  55  10.548  13.975 -12.898
  425   HD13  ILE  55          HD13      ILE  55  10.112  13.628 -14.586
  426    H    ASP  56           H        ASP  56  10.146  18.685 -11.015
  427    HA   ASP  56           HA       ASP  56  12.018  20.949 -11.280
  428    HB2  ASP  56           HB2      ASP  56   9.907  22.112 -11.384
  429    HB3  ASP  56           HB3      ASP  56   9.196  21.068 -10.141
  430    H    ILE  57           H        ILE  57  13.063  21.355  -9.262
  431    HA   ILE  57           HA       ILE  57  12.360  19.638  -6.978
  432    HB   ILE  57           HB       ILE  57  15.201  20.276  -7.048
  433   HG12  ILE  57          HG12      ILE  57  14.255  18.237  -9.064
  434   HG13  ILE  57          HG13      ILE  57  15.073  19.747  -9.436
  435   HG21  ILE  57          HG21      ILE  57  14.158  18.903  -5.350
  436   HG22  ILE  57          HG22      ILE  57  13.589  17.729  -6.581
  437   HG23  ILE  57          HG23      ILE  57  15.307  17.917  -6.196
  438   HD11  ILE  57          HD11      ILE  57  16.221  17.288  -8.156
  439   HD12  ILE  57          HD12      ILE  57  16.862  18.300  -9.469
  440   HD13  ILE  57          HD13      ILE  57  16.932  18.874  -7.795
  441    H    SER  58           H        SER  58  13.078  22.819  -8.141
  442    HA   SER  58           HA       SER  58  14.002  24.116  -5.858
  443    HB2  SER  58           HB2      SER  58  13.028  26.132  -6.758
  444    HB3  SER  58           HB3      SER  58  13.733  25.161  -8.055
  445    HG   SER  58           HG       SER  58  11.686  24.450  -8.630
  446    H    GLY  59           H        GLY  59  10.714  22.901  -6.507
  447    HA2  GLY  59           HA2      GLY  59   9.391  24.293  -4.394
  448    HA3  GLY  59           HA3      GLY  59   8.791  22.916  -5.325
  449    H    GLN  60           H        GLN  60  11.580  21.627  -4.119
  450    HA   GLN  60           HA       GLN  60  10.429  20.915  -1.510
  451    HB2  GLN  60           HB2      GLN  60  11.076  18.640  -1.813
  452    HB3  GLN  60           HB3      GLN  60  10.075  19.154  -3.184
  453    HG2  GLN  60           HG2      GLN  60  11.993  19.265  -4.641
  454    HG3  GLN  60           HG3      GLN  60  13.107  19.002  -3.297
  455   HE21  GLN  60          HE22      GLN  60  14.058  17.057  -3.795
  456   HE22  GLN  60          HE21      GLN  60  13.179  15.581  -4.154
  457    H    THR  61           H        THR  61  12.164  19.835  -0.104
  458    HA   THR  61           HA       THR  61  14.701  21.369  -0.244
  459    HB   THR  61           HB       THR  61  14.382  21.426   2.295
  460    HG1  THR  61           HG1      THR  61  12.795  19.919   2.649
  461   HG21  THR  61          HG21      THR  61  12.822  23.300   2.213
  462   HG22  THR  61          HG22      THR  61  13.905  23.347   0.808
  463   HG23  THR  61          HG23      THR  61  12.228  22.768   0.618
  464    H    SER  62           H        SER  62  16.309  20.455   1.435
  465    HA   SER  62           HA       SER  62  16.500  17.521   1.144
  466    HB2  SER  62           HB2      SER  62  18.876  18.033   1.887
  467    HB3  SER  62           HB3      SER  62  18.378  18.640   0.293
  468    HG   SER  62           HG       SER  62  19.548  20.104   1.607
  469    H    ASP  63           H        ASP  63  16.946  16.247   2.908
  470    HA   ASP  63           HA       ASP  63  16.350  17.250   5.638
  471    HB2  ASP  63           HB2      ASP  63  14.269  16.466   4.116
  472    HB3  ASP  63           HB3      ASP  63  14.860  14.855   4.534
  473    HA   PRO  64           HA       PRO  64  19.314  13.976   6.281
  474    HB2  PRO  64           HB2      PRO  64  19.351  13.673   8.980
  475    HB3  PRO  64           HB3      PRO  64  19.879  15.185   8.194
  476    HG2  PRO  64           HG2      PRO  64  17.180  14.584   9.437
  477    HG3  PRO  64           HG3      PRO  64  18.208  16.032   9.669
  478    HD2  PRO  64           HD2      PRO  64  16.120  15.945   7.891
  479    HD3  PRO  64           HD3      PRO  64  17.594  16.921   7.584
  480    H    ILE  65           H        ILE  65  19.510  11.755   6.585
  481    HA   ILE  65           HA       ILE  65  17.263  10.036   6.450
  482    HB   ILE  65           HB       ILE  65  19.540   9.516   5.737
  483   HG12  ILE  65          HG12      ILE  65  18.439   7.472   7.705
  484   HG13  ILE  65          HG13      ILE  65  17.718   7.835   6.126
  485   HG21  ILE  65          HG21      ILE  65  21.282   8.764   7.235
  486   HG22  ILE  65          HG22      ILE  65  20.805  10.373   7.759
  487   HG23  ILE  65          HG23      ILE  65  20.237   8.949   8.653
  488   HD11  ILE  65          HD11      ILE  65  19.935   7.337   5.085
  489   HD12  ILE  65          HD12      ILE  65  20.466   6.662   6.648
  490   HD13  ILE  65          HD13      ILE  65  19.099   5.949   5.765
  491    H    GLU  66           H        GLU  66  19.001  11.333   9.184
  492    HA   GLU  66           HA       GLU  66  18.296   9.938  11.369
  493    HB2  GLU  66           HB2      GLU  66  18.378  12.957  11.058
  494    HB3  GLU  66           HB3      GLU  66  18.518  12.108  12.591
  495    HG2  GLU  66           HG2      GLU  66  20.458  11.626  10.291
  496    HG3  GLU  66           HG3      GLU  66  20.683  12.929  11.434
  497    H    ASN  67           H        ASN  67  16.136  11.975   9.460
  498    HA   ASN  67           HA       ASN  67  14.197  12.386  11.596
  499    HB2  ASN  67           HB2      ASN  67  14.855  14.083   9.842
  500    HB3  ASN  67           HB3      ASN  67  14.054  13.068   8.643
  501   HD21  ASN  67          HD22      ASN  67  12.659  14.806   8.141
  502   HD22  ASN  67          HD21      ASN  67  11.304  15.245   9.186
  503    H    PHE  68           H        PHE  68  14.733   9.687   9.508
  504    HA   PHE  68           HA       PHE  68  11.869   8.899   9.723
  505    HB2  PHE  68           HB2      PHE  68  13.830   8.554   7.427
  506    HB3  PHE  68           HB3      PHE  68  12.271   7.732   7.555
  507    HD1  PHE  68           HD1      PHE  68  13.916  10.996   6.930
  508    HD2  PHE  68           HD2      PHE  68  10.196   8.820   7.117
  509    HE1  PHE  68           HE1      PHE  68  12.755  12.875   5.806
  510    HE2  PHE  68           HE2      PHE  68   9.024  10.736   6.043
  511    HZ   PHE  68           HZ       PHE  68  10.306  12.768   5.387
  512    H    ASN  69           H        ASN  69  11.908   6.436   8.994
  513    HA   ASN  69           HA       ASN  69  14.018   4.872  10.350
  514    HB2  ASN  69           HB2      ASN  69  12.085   3.275  10.995
  515    HB3  ASN  69           HB3      ASN  69  12.403   4.673  12.016
  516   HD21  ASN  69          HD22      ASN  69  10.500   4.659   8.895
  517   HD22  ASN  69          HD21      ASN  69   9.002   5.116   9.680
  518    H    ALA  70           H        ALA  70  14.464   2.991   9.256
  519    HA   ALA  70           HA       ALA  70  13.883   2.973   6.416
  520    HB1  ALA  70           HB1      ALA  70  16.050   2.194   7.497
  521    HB2  ALA  70           HB2      ALA  70  15.168   0.789   8.114
  522    HB3  ALA  70           HB3      ALA  70  15.328   1.033   6.366
  523    H    ASP  71           H        ASP  71  12.524   1.399   9.244
  524    HA   ASP  71           HA       ASP  71  11.621  -1.004   8.157
  525    HB2  ASP  71           HB2      ASP  71  11.699  -0.505  10.554
  526    HB3  ASP  71           HB3      ASP  71  10.423   0.702  10.370
  527    H    ASP  72           H        ASP  72  10.304   2.210   7.680
  528    HA   ASP  72           HA       ASP  72   7.687   1.210   6.868
  529    HB2  ASP  72           HB2      ASP  72   8.007   3.252   8.290
  530    HB3  ASP  72           HB3      ASP  72   8.774   4.043   6.909
  531    H    TYR  73           H        TYR  73  10.754   1.696   5.400
  532    HA   TYR  73           HA       TYR  73   9.668   2.376   2.805
  533    HB2  TYR  73           HB2      TYR  73  12.487   2.336   3.891
  534    HB3  TYR  73           HB3      TYR  73  12.104   2.575   2.189
  535    HD1  TYR  73           HD1      TYR  73  10.964   4.604   1.396
  536    HD2  TYR  73           HD2      TYR  73  11.989   4.107   5.535
  537    HE1  TYR  73           HE1      TYR  73  10.414   6.971   1.797
  538    HE2  TYR  73           HE2      TYR  73  11.505   6.509   5.980
  539    HH   TYR  73           HH       TYR  73  10.303   8.666   3.314
  540    H    ASP  74           H        ASP  74   9.645   0.953   1.119
  541    HA   ASP  74           HA       ASP  74  10.005  -1.897   1.698
  542    HB2  ASP  74           HB2      ASP  74   8.134  -1.118   0.278
  543    HB3  ASP  74           HB3      ASP  74   9.302  -0.453  -0.863
  544    H    VAL  75           H        VAL  75  11.450   0.718  -0.258
  545    HA   VAL  75           HA       VAL  75  13.811  -1.006  -0.806
  546    HB   VAL  75           HB       VAL  75  12.530  -1.176  -2.665
  547   HG11  VAL  75          HG11      VAL  75  10.790   0.457  -2.413
  548   HG12  VAL  75          HG12      VAL  75  11.945   1.700  -2.915
  549   HG13  VAL  75          HG13      VAL  75  11.462   0.436  -4.043
  550   HG21  VAL  75          HG21      VAL  75  14.298   1.123  -3.519
  551   HG22  VAL  75          HG22      VAL  75  14.945  -0.465  -3.091
  552   HG23  VAL  75          HG23      VAL  75  13.832  -0.313  -4.457
  553    H    VAL  76           H        VAL  76  15.747  -0.168  -0.636
  554    HA   VAL  76           HA       VAL  76  15.970   2.717   0.030
  555    HB   VAL  76           HB       VAL  76  17.765   1.778   1.612
  556   HG11  VAL  76          HG11      VAL  76  16.059   1.612   3.404
  557   HG12  VAL  76          HG12      VAL  76  15.727   2.941   2.276
  558   HG13  VAL  76          HG13      VAL  76  14.788   1.442   2.173
  559   HG21  VAL  76          HG21      VAL  76  17.667  -0.611   0.932
  560   HG22  VAL  76          HG22      VAL  76  17.252  -0.407   2.644
  561   HG23  VAL  76          HG23      VAL  76  15.982  -0.684   1.453
  562    H    ILE  77           H        ILE  77  16.902   3.658  -1.541
  563    HA   ILE  77           HA       ILE  77  19.105   2.354  -3.028
  564    HB   ILE  77           HB       ILE  77  17.307   4.706  -3.713
  565   HG12  ILE  77          HG12      ILE  77  16.029   2.707  -3.964
  566   HG13  ILE  77          HG13      ILE  77  16.533   3.233  -5.563
  567   HG21  ILE  77          HG21      ILE  77  19.585   3.434  -5.277
  568   HG22  ILE  77          HG22      ILE  77  18.415   4.613  -5.927
  569   HG23  ILE  77          HG23      ILE  77  19.519   5.083  -4.647
  570   HD11  ILE  77          HD11      ILE  77  16.704   0.796  -5.361
  571   HD12  ILE  77          HD12      ILE  77  18.313   1.507  -5.585
  572   HD13  ILE  77          HD13      ILE  77  17.808   0.952  -3.980
  573    H    SER  78           H        SER  78  20.876   2.697  -1.976
  574    HA   SER  78           HA       SER  78  21.507   5.297  -0.723
  575    HB2  SER  78           HB2      SER  78  22.333   3.186   0.226
  576    HB3  SER  78           HB3      SER  78  23.143   2.835  -1.325
  577    HG   SER  78           HG       SER  78  24.629   4.238  -0.931
  578    H    LEU  79           H        LEU  79  23.124   6.571  -1.668
  579    HA   LEU  79           HA       LEU  79  24.355   5.980  -4.187
  580    HB2  LEU  79           HB2      LEU  79  23.302   8.475  -4.885
  581    HB3  LEU  79           HB3      LEU  79  22.998   6.929  -5.600
  582    HG   LEU  79           HG       LEU  79  20.989   6.792  -3.803
  583   HD11  LEU  79          HD11      LEU  79  21.291   9.772  -4.162
  584   HD12  LEU  79          HD12      LEU  79  20.191   8.861  -3.089
  585   HD13  LEU  79          HD13      LEU  79  21.940   8.915  -2.765
  586   HD21  LEU  79          HD21      LEU  79  19.526   7.964  -5.422
  587   HD22  LEU  79          HD22      LEU  79  20.957   8.547  -6.297
  588   HD23  LEU  79          HD23      LEU  79  20.617   6.809  -6.195
  589    H    CYS  80           H        CYS  80  25.505   5.935  -1.966
  590    HA   CYS  80           HA       CYS  80  26.471   8.519  -0.969
  591    HB2  CYS  80           HB2      CYS  80  27.377   5.630  -0.519
  592    HB3  CYS  80           HB3      CYS  80  28.106   7.051   0.261
  593    HG   CYS  80           HG       CYS  80  25.058   5.793   0.456
  594    H    GLY  81           H        GLY  81  27.511   5.952  -3.206
  595    HA2  GLY  81           HA2      GLY  81  28.390   6.819  -5.325
  596    HA3  GLY  81           HA3      GLY  81  29.481   7.863  -4.409
  597    H    CYS  82           H        CYS  82  30.789   6.484  -2.650
  598    HA   CYS  82           HA       CYS  82  32.473   4.884  -4.330
  599    HB2  CYS  82           HB2      CYS  82  32.758   5.535  -1.357
  600    HB3  CYS  82           HB3      CYS  82  34.040   4.977  -2.440
  601    HG   CYS  82           HG       CYS  82  34.412   7.503  -1.953
  602    H    GLY  83           H        GLY  83  29.933   3.597  -3.771
  603    HA2  GLY  83           HA2      GLY  83  29.077   1.546  -3.349
  604    HA3  GLY  83           HA3      GLY  83  30.735   0.916  -3.234
  605    H    VAL  84           H        VAL  84  29.909   3.478  -1.080
  606    HA   VAL  84           HA       VAL  84  30.173   1.852   1.298
  607    HB   VAL  84           HB       VAL  84  29.503   4.743   0.877
  608   HG11  VAL  84          HG11      VAL  84  28.535   4.033   3.022
  609   HG12  VAL  84          HG12      VAL  84  30.072   3.274   3.488
  610   HG13  VAL  84          HG13      VAL  84  29.957   5.041   3.309
  611   HG21  VAL  84          HG21      VAL  84  32.061   3.403   1.847
  612   HG22  VAL  84          HG22      VAL  84  31.827   4.142   0.254
  613   HG23  VAL  84          HG23      VAL  84  31.796   5.153   1.703
  614    H    ASN  85           H        ASN  85  28.569   0.527   1.863
  615    HA   ASN  85           HA       ASN  85  25.750   1.233   1.344
  616    HB2  ASN  85           HB2      ASN  85  25.185  -0.913   2.157
  617    HB3  ASN  85           HB3      ASN  85  26.579  -1.161   1.121
  618   HD21  ASN  85          HD22      ASN  85  25.573  -0.770   4.551
  619   HD22  ASN  85          HD21      ASN  85  26.908  -1.687   5.217
  620    H    LEU  86           H        LEU  86  24.272   1.350   2.998
  621    HA   LEU  86           HA       LEU  86  24.990   3.199   5.117
  622    HB2  LEU  86           HB2      LEU  86  22.396   1.694   4.647
  623    HB3  LEU  86           HB3      LEU  86  22.633   3.184   5.559
  624    HG   LEU  86           HG       LEU  86  22.916   2.820   2.546
  625   HD11  LEU  86          HD11      LEU  86  20.929   4.438   4.166
  626   HD12  LEU  86          HD12      LEU  86  21.049   4.378   2.389
  627   HD13  LEU  86          HD13      LEU  86  20.622   2.920   3.278
  628   HD21  LEU  86          HD21      LEU  86  24.611   4.396   3.131
  629   HD22  LEU  86          HD22      LEU  86  23.266   5.288   2.443
  630   HD23  LEU  86          HD23      LEU  86  23.497   5.292   4.210
  631    HA   PRO  87           HA       PRO  87  26.068  -0.129   7.996
  632    HB2  PRO  87           HB2      PRO  87  25.864   2.171   9.931
  633    HB3  PRO  87           HB3      PRO  87  27.104   0.889   9.821
  634    HG2  PRO  87           HG2      PRO  87  27.609   3.387   8.876
  635    HG3  PRO  87           HG3      PRO  87  28.149   1.942   7.961
  636    HD2  PRO  87           HD2      PRO  87  25.719   3.673   7.471
  637    HD3  PRO  87           HD3      PRO  87  26.891   3.008   6.301
  638    HA   PRO  88           HA       PRO  88  22.205   0.626  10.673
  639    HB2  PRO  88           HB2      PRO  88  20.312   2.523  10.139
  640    HB3  PRO  88           HB3      PRO  88  21.847   2.891  10.963
  641    HG2  PRO  88           HG2      PRO  88  21.305   3.152   7.969
  642    HG3  PRO  88           HG3      PRO  88  21.889   4.424   9.100
  643    HD2  PRO  88           HD2      PRO  88  23.507   2.989   7.582
  644    HD3  PRO  88           HD3      PRO  88  23.953   3.350   9.282
  645    H    GLU  89           H        GLU  89  19.696   0.403  10.480
  646    HA   GLU  89           HA       GLU  89  18.894  -1.809   9.109
  647    HB2  GLU  89           HB2      GLU  89  16.566  -0.921   9.589
  648    HB3  GLU  89           HB3      GLU  89  17.672  -1.040  10.965
  649    HG2  GLU  89           HG2      GLU  89  18.047   1.365  10.961
  650    HG3  GLU  89           HG3      GLU  89  17.173   1.552   9.448
  651    H    TRP  90           H        TRP  90  19.205   1.257   7.711
  652    HA   TRP  90           HA       TRP  90  17.456   1.041   5.470
  653    HB2  TRP  90           HB2      TRP  90  20.004   2.642   5.825
  654    HB3  TRP  90           HB3      TRP  90  18.763   2.908   4.599
  655    HD1  TRP  90           HD1      TRP  90  19.351   3.425   8.347
  656    HE1  TRP  90           HE1      TRP  90  17.912   5.268   9.161
  657    HE3  TRP  90           HE3      TRP  90  16.353   3.798   4.263
  658    HZ2  TRP  90           HZ2      TRP  90  15.411   6.588   8.271
  659    HZ3  TRP  90           HZ3      TRP  90  14.327   5.223   4.330
  660    HH2  TRP  90           HH2      TRP  90  13.856   6.618   6.305
  661    H    VAL  91           H        VAL  91  19.891  -1.036   6.186
  662    HA   VAL  91           HA       VAL  91  20.319  -1.592   3.322
  663    HB   VAL  91           HB       VAL  91  22.289  -0.865   4.734
  664   HG11  VAL  91          HG11      VAL  91  21.797  -2.370   6.714
  665   HG12  VAL  91          HG12      VAL  91  22.301  -3.748   5.712
  666   HG13  VAL  91          HG13      VAL  91  23.451  -2.459   6.104
  667   HG21  VAL  91          HG21      VAL  91  23.874  -2.365   3.635
  668   HG22  VAL  91          HG22      VAL  91  22.557  -3.459   3.186
  669   HG23  VAL  91          HG23      VAL  91  22.606  -1.810   2.531
  670    H    THR  92           H        THR  92  18.408  -2.589   5.842
  671    HA   THR  92           HA       THR  92  18.467  -5.418   4.970
  672    HB   THR  92           HB       THR  92  17.840  -5.911   7.384
  673    HG1  THR  92           HG1      THR  92  17.225  -3.891   8.096
  674   HG21  THR  92          HG21      THR  92  20.524  -4.514   7.077
  675   HG22  THR  92          HG22      THR  92  20.092  -5.790   8.229
  676   HG23  THR  92          HG23      THR  92  20.180  -6.162   6.499
  677    H    GLN  93           H        GLN  93  16.851  -3.283   3.875
  678    HA   GLN  93           HA       GLN  93  14.110  -4.236   4.557
  679    HB2  GLN  93           HB2      GLN  93  14.823  -1.984   2.671
  680    HB3  GLN  93           HB3      GLN  93  13.238  -2.410   3.296
  681    HG2  GLN  93           HG2      GLN  93  15.547  -1.175   4.828
  682    HG3  GLN  93           HG3      GLN  93  13.988  -0.454   4.469
  683   HE21  GLN  93          HE22      GLN  93  15.691  -1.660   6.990
  684   HE22  GLN  93          HE21      GLN  93  14.401  -2.363   7.948
  685    H    GLU  94           H        GLU  94  12.890  -4.067   2.089
  686    HA   GLU  94           HA       GLU  94  13.567  -6.668   1.199
  687    HB2  GLU  94           HB2      GLU  94  11.699  -4.636  -0.065
  688    HB3  GLU  94           HB3      GLU  94  11.752  -6.351  -0.450
  689    HG2  GLU  94           HG2      GLU  94  10.977  -5.141   2.241
  690    HG3  GLU  94           HG3      GLU  94   9.888  -5.853   1.060
  691    H    ILE  95           H        ILE  95  14.372  -3.501  -0.205
  692    HA   ILE  95           HA       ILE  95  16.075  -4.926  -2.230
  693    HB   ILE  95           HB       ILE  95  14.190  -2.633  -2.643
  694   HG12  ILE  95          HG12      ILE  95  14.251  -5.527  -3.570
  695   HG13  ILE  95          HG13      ILE  95  12.961  -4.664  -2.722
  696   HG21  ILE  95          HG21      ILE  95  15.046  -2.553  -4.987
  697   HG22  ILE  95          HG22      ILE  95  16.369  -2.276  -3.880
  698   HG23  ILE  95          HG23      ILE  95  16.180  -3.874  -4.629
  699   HD11  ILE  95          HD11      ILE  95  12.628  -3.291  -4.807
  700   HD12  ILE  95          HD12      ILE  95  13.785  -4.396  -5.609
  701   HD13  ILE  95          HD13      ILE  95  12.262  -5.029  -4.963
  702    H    PHE  96           H        PHE  96  18.180  -3.976  -2.289
  703    HA   PHE  96           HA       PHE  96  18.542  -1.292  -1.278
  704    HB2  PHE  96           HB2      PHE  96  19.122  -2.595   0.713
  705    HB3  PHE  96           HB3      PHE  96  20.149  -3.660  -0.247
  706    HD1  PHE  96           HD1      PHE  96  19.823  -0.251   1.184
  707    HD2  PHE  96           HD2      PHE  96  22.360  -2.883  -1.102
  708    HE1  PHE  96           HE1      PHE  96  21.626   1.404   1.293
  709    HE2  PHE  96           HE2      PHE  96  24.143  -1.152  -1.095
  710    HZ   PHE  96           HZ       PHE  96  23.803   0.973   0.142
  711    H    GLU  97           H        GLU  97  20.081  -0.230  -2.445
  712    HA   GLU  97           HA       GLU  97  22.164  -1.643  -3.910
  713    HB2  GLU  97           HB2      GLU  97  20.063   0.073  -5.313
  714    HB3  GLU  97           HB3      GLU  97  21.703  -0.106  -5.938
  715    HG2  GLU  97           HG2      GLU  97  21.434  -2.549  -5.993
  716    HG3  GLU  97           HG3      GLU  97  19.712  -2.356  -5.579
  717    H    ASP  98           H        ASP  98  23.810  -0.110  -4.519
  718    HA   ASP  98           HA       ASP  98  23.567   2.617  -3.440
  719    HB2  ASP  98           HB2      ASP  98  25.159   1.460  -1.988
  720    HB3  ASP  98           HB3      ASP  98  26.164   1.077  -3.396
  721    H    TRP  99           H        TRP  99  23.167   3.789  -5.234
  722    HA   TRP  99           HA       TRP  99  24.220   3.014  -7.853
  723    HB2  TRP  99           HB2      TRP  99  22.553   5.414  -7.066
  724    HB3  TRP  99           HB3      TRP  99  22.942   4.884  -8.682
  725    HD1  TRP  99           HD1      TRP  99  22.138   1.694  -7.245
  726    HE1  TRP  99           HE1      TRP  99  19.719   1.036  -7.705
  727    HE3  TRP  99           HE3      TRP  99  20.353   6.299  -8.519
  728    HZ2  TRP  99           HZ2      TRP  99  17.186   2.440  -8.329
  729    HZ3  TRP  99           HZ3      TRP  99  17.939   6.626  -8.975
  730    HH2  TRP  99           HH2      TRP  99  16.389   4.727  -8.865
  731    H    GLN 100           H        GLN 100  26.350   3.175  -7.939
  732    HA   GLN 100           HA       GLN 100  27.902   5.426  -7.066
  733    HB2  GLN 100           HB2      GLN 100  28.816   3.199  -7.251
  734    HB3  GLN 100           HB3      GLN 100  28.471   3.120  -8.979
  735    HG2  GLN 100           HG2      GLN 100  30.154   4.724  -9.515
  736    HG3  GLN 100           HG3      GLN 100  30.277   5.290  -7.850
  737   HE21  GLN 100          HE22      GLN 100  30.994   3.629  -6.211
  738   HE22  GLN 100          HE21      GLN 100  32.238   2.471  -6.687
  739    H    LEU 101           H        LEU 101  27.359   7.387  -7.909
  740    HA   LEU 101           HA       LEU 101  27.498   7.867 -10.841
  741    HB2  LEU 101           HB2      LEU 101  25.427   8.668  -8.714
  742    HB3  LEU 101           HB3      LEU 101  25.749   9.750 -10.027
  743    HG   LEU 101           HG       LEU 101  23.877   8.720 -10.644
  744   HD11  LEU 101          HD11      LEU 101  24.319   7.483 -12.672
  745   HD12  LEU 101          HD12      LEU 101  25.509   8.787 -12.509
  746   HD13  LEU 101          HD13      LEU 101  25.955   7.094 -12.158
  747   HD21  LEU 101          HD21      LEU 101  23.301   6.409 -10.653
  748   HD22  LEU 101          HD22      LEU 101  24.928   5.940 -10.134
  749   HD23  LEU 101          HD23      LEU 101  23.880   6.883  -9.046
  750    H    GLU 102           H        GLU 102  27.844  10.298 -11.153
  751    HA   GLU 102           HA       GLU 102  29.774  11.369  -9.298
  752    HB2  GLU 102           HB2      GLU 102  28.333  12.429 -11.749
  753    HB3  GLU 102           HB3      GLU 102  29.391  13.449 -10.769
  754    HG2  GLU 102           HG2      GLU 102  30.226  10.865 -12.154
  755    HG3  GLU 102           HG3      GLU 102  30.506  12.484 -12.787
  756    H    ASP 103           H        ASP 103  29.215  13.489  -8.200
  757    HA   ASP 103           HA       ASP 103  26.315  13.589  -7.475
  758    HB2  ASP 103           HB2      ASP 103  27.283  12.739  -5.636
  759    HB3  ASP 103           HB3      ASP 103  28.545  13.991  -5.557
  760    HA   PRO 104           HA       PRO 104  27.207  16.999 -10.129
  761    HB2  PRO 104           HB2      PRO 104  24.373  17.678  -9.432
  762    HB3  PRO 104           HB3      PRO 104  25.226  17.693 -11.023
  763    HG2  PRO 104           HG2      PRO 104  23.657  15.599 -10.284
  764    HG3  PRO 104           HG3      PRO 104  25.185  15.377 -11.201
  765    HD2  PRO 104           HD2      PRO 104  24.646  14.829  -8.300
  766    HD3  PRO 104           HD3      PRO 104  25.785  14.060  -9.444
  767    H    ASP 105           H        ASP 105  26.877  17.485  -6.848
  768    HA   ASP 105           HA       ASP 105  26.600  20.239  -6.414
  769    HB2  ASP 105           HB2      ASP 105  26.651  18.743  -4.592
  770    HB3  ASP 105           HB3      ASP 105  28.186  18.038  -5.116
  771    H    GLY 106           H        GLY 106  27.478  21.342  -8.147
  772    HA2  GLY 106           HA2      GLY 106  28.961  23.134  -8.455
  773    HA3  GLY 106           HA3      GLY 106  30.240  22.249  -7.616
  774    H    GLN 107           H        GLN 107  28.449  20.463 -10.083
  775    HA   GLN 107           HA       GLN 107  31.012  20.230 -11.524
  776    HB2  GLN 107           HB2      GLN 107  28.497  18.631 -12.001
  777    HB3  GLN 107           HB3      GLN 107  30.159  18.204 -12.416
  778    HG2  GLN 107           HG2      GLN 107  29.043  18.417  -9.612
  779    HG3  GLN 107           HG3      GLN 107  29.242  16.929 -10.544
  780   HE21  GLN 107          HE22      GLN 107  30.214  16.727  -8.202
  781   HE22  GLN 107          HE21      GLN 107  31.966  16.882  -8.157
  782    H    SER 108           H        SER 108  30.571  19.556 -13.963
  783    HA   SER 108           HA       SER 108  29.686  21.937 -15.389
  784    HB2  SER 108           HB2      SER 108  30.721  19.195 -16.245
  785    HB3  SER 108           HB3      SER 108  30.561  20.610 -17.316
  786    HG   SER 108           HG       SER 108  32.701  20.353 -16.523
  787    H    LEU 109           H        LEU 109  28.017  21.871 -17.065
  788    HA   LEU 109           HA       LEU 109  25.631  20.578 -16.328
  789    HB2  LEU 109           HB2      LEU 109  26.466  21.593 -19.072
  790    HB3  LEU 109           HB3      LEU 109  24.826  21.102 -18.643
  791    HG   LEU 109           HG       LEU 109  26.346  23.388 -17.326
  792   HD11  LEU 109          HD11      LEU 109  24.798  24.853 -18.571
  793   HD12  LEU 109          HD12      LEU 109  25.757  23.862 -19.679
  794   HD13  LEU 109          HD13      LEU 109  24.063  23.435 -19.352
  795   HD21  LEU 109          HD21      LEU 109  23.445  22.479 -17.017
  796   HD22  LEU 109          HD22      LEU 109  24.704  22.461 -15.763
  797   HD23  LEU 109          HD23      LEU 109  24.110  23.999 -16.381
  798    H    GLU 110           H        GLU 110  28.196  19.441 -18.511
  799    HA   GLU 110           HA       GLU 110  26.798  17.251 -19.611
  800    HB2  GLU 110           HB2      GLU 110  28.952  18.165 -20.400
  801    HB3  GLU 110           HB3      GLU 110  29.762  17.529 -18.961
  802    HG2  GLU 110           HG2      GLU 110  29.181  15.217 -19.640
  803    HG3  GLU 110           HG3      GLU 110  28.281  15.835 -21.028
  804    H    VAL 111           H        VAL 111  28.485  17.586 -16.455
  805    HA   VAL 111           HA       VAL 111  28.286  14.778 -15.772
  806    HB   VAL 111           HB       VAL 111  28.707  17.229 -14.043
  807   HG11  VAL 111          HG11      VAL 111  28.920  14.270 -13.397
  808   HG12  VAL 111          HG12      VAL 111  29.649  15.540 -12.396
  809   HG13  VAL 111          HG13      VAL 111  27.892  15.485 -12.598
  810   HG21  VAL 111          HG21      VAL 111  30.694  15.192 -15.150
  811   HG22  VAL 111          HG22      VAL 111  30.551  16.882 -15.671
  812   HG23  VAL 111          HG23      VAL 111  31.089  16.512 -14.031
  813    H    PHE 112           H        PHE 112  26.425  17.764 -15.024
  814    HA   PHE 112           HA       PHE 112  24.387  16.619 -13.449
  815    HB2  PHE 112           HB2      PHE 112  24.542  19.000 -15.305
  816    HB3  PHE 112           HB3      PHE 112  23.009  18.480 -14.697
  817    HD1  PHE 112           HD1      PHE 112  22.439  18.539 -12.275
  818    HD2  PHE 112           HD2      PHE 112  26.136  20.131 -13.834
  819    HE1  PHE 112           HE1      PHE 112  22.807  19.772 -10.161
  820    HE2  PHE 112           HE2      PHE 112  26.523  21.304 -11.690
  821    HZ   PHE 112           HZ       PHE 112  24.916  21.052  -9.846
  822    H    ARG 113           H        ARG 113  24.376  17.102 -17.032
  823    HA   ARG 113           HA       ARG 113  21.934  15.772 -17.531
  824    HB2  ARG 113           HB2      ARG 113  24.395  16.451 -19.166
  825    HB3  ARG 113           HB3      ARG 113  23.161  15.409 -19.875
  826    HG2  ARG 113           HG2      ARG 113  21.596  17.034 -20.029
  827    HG3  ARG 113           HG3      ARG 113  22.074  17.822 -18.533
  828    HD2  ARG 113           HD2      ARG 113  23.886  18.965 -19.577
  829    HD3  ARG 113           HD3      ARG 113  23.602  18.112 -21.126
  830    HE   ARG 113           HE       ARG 113  21.175  19.313 -20.315
  831   HH11  ARG 113          HH11      ARG 113  24.349  20.486 -21.450
  832   HH12  ARG 113          HH12      ARG 113  23.706  21.984 -22.015
  833   HH21  ARG 113          HH21      ARG 113  20.375  21.112 -21.017
  834   HH22  ARG 113          HH22      ARG 113  21.315  22.387 -21.776
  835    H    THR 114           H        THR 114  25.280  14.354 -17.344
  836    HA   THR 114           HA       THR 114  24.503  11.783 -18.190
  837    HB   THR 114           HB       THR 114  26.731  12.755 -16.334
  838    HG1  THR 114           HG1      THR 114  26.957  13.697 -18.287
  839   HG21  THR 114          HG21      THR 114  26.461  10.358 -16.103
  840   HG22  THR 114          HG22      THR 114  26.414  10.159 -17.874
  841   HG23  THR 114          HG23      THR 114  27.908  10.707 -17.065
  842    H    VAL 115           H        VAL 115  24.797  13.182 -14.833
  843    HA   VAL 115           HA       VAL 115  23.875  10.810 -13.591
  844    HB   VAL 115           HB       VAL 115  23.944  13.653 -12.646
  845   HG11  VAL 115          HG11      VAL 115  23.840  12.769 -10.328
  846   HG12  VAL 115          HG12      VAL 115  22.354  12.406 -11.211
  847   HG13  VAL 115          HG13      VAL 115  23.577  11.139 -10.964
  848   HG21  VAL 115          HG21      VAL 115  25.813  11.299 -12.117
  849   HG22  VAL 115          HG22      VAL 115  26.178  12.677 -13.169
  850   HG23  VAL 115          HG23      VAL 115  25.985  12.926 -11.436
  851    H    ARG 116           H        ARG 116  22.079  13.751 -14.687
  852    HA   ARG 116           HA       ARG 116  19.577  13.120 -13.595
  853    HB2  ARG 116           HB2      ARG 116  20.243  15.261 -14.638
  854    HB3  ARG 116           HB3      ARG 116  20.230  14.531 -16.234
  855    HG2  ARG 116           HG2      ARG 116  17.704  14.321 -14.641
  856    HG3  ARG 116           HG3      ARG 116  18.164  15.933 -15.056
  857    HD2  ARG 116           HD2      ARG 116  17.392  13.671 -16.866
  858    HD3  ARG 116           HD3      ARG 116  16.608  15.247 -16.621
  859    HE   ARG 116           HE       ARG 116  18.430  16.364 -17.789
  860   HH11  ARG 116          HH11      ARG 116  18.069  12.875 -18.460
  861   HH12  ARG 116          HH12      ARG 116  18.908  12.969 -19.963
  862   HH21  ARG 116          HH21      ARG 116  19.422  16.485 -19.690
  863   HH22  ARG 116          HH22      ARG 116  19.693  15.094 -20.727
  864    H    GLY 117           H        GLY 117  20.951  12.133 -16.770
  865    HA2  GLY 117           HA2      GLY 117  18.661  10.562 -17.501
  866    HA3  GLY 117           HA3      GLY 117  20.289  10.458 -18.216
  867    H    GLN 118           H        GLN 118  21.847   9.616 -15.994
  868    HA   GLN 118           HA       GLN 118  21.279   6.839 -16.149
  869    HB2  GLN 118           HB2      GLN 118  23.182   8.470 -14.426
  870    HB3  GLN 118           HB3      GLN 118  23.116   6.716 -14.384
  871    HG2  GLN 118           HG2      GLN 118  23.357   7.286 -17.130
  872    HG3  GLN 118           HG3      GLN 118  24.387   8.480 -16.341
  873   HE21  GLN 118          HE22      GLN 118  26.284   7.746 -15.162
  874   HE22  GLN 118          HE21      GLN 118  26.860   6.108 -15.319
  875    H    VAL 119           H        VAL 119  20.854   9.152 -13.467
  876    HA   VAL 119           HA       VAL 119  19.801   7.276 -11.590
  877    HB   VAL 119           HB       VAL 119  19.515  10.298 -11.821
  878   HG11  VAL 119          HG11      VAL 119  18.971   8.589  -9.363
  879   HG12  VAL 119          HG12      VAL 119  18.862  10.355  -9.490
  880   HG13  VAL 119          HG13      VAL 119  17.710   9.337 -10.358
  881   HG21  VAL 119          HG21      VAL 119  21.313   8.552 -10.060
  882   HG22  VAL 119          HG22      VAL 119  21.851   9.480 -11.469
  883   HG23  VAL 119          HG23      VAL 119  21.242  10.326 -10.043
  884    H    LYS 120           H        LYS 120  18.140   9.394 -14.091
  885    HA   LYS 120           HA       LYS 120  15.513   8.648 -13.286
  886    HB2  LYS 120           HB2      LYS 120  15.901  10.507 -14.797
  887    HB3  LYS 120           HB3      LYS 120  16.664   9.449 -15.993
  888    HG2  LYS 120           HG2      LYS 120  14.543   8.286 -16.387
  889    HG3  LYS 120           HG3      LYS 120  13.752   9.275 -15.137
  890    HD2  LYS 120           HD2      LYS 120  14.176  11.311 -16.426
  891    HD3  LYS 120           HD3      LYS 120  15.042  10.398 -17.668
  892    HE2  LYS 120           HE2      LYS 120  12.103   9.991 -16.928
  893    HE3  LYS 120           HE3      LYS 120  12.669  11.007 -18.255
  894    HZ1  LYS 120           HZ1      LYS 120  13.671   9.010 -19.251
  895    HZ2  LYS 120           HZ2      LYS 120  13.035   8.057 -18.069
  896    HZ3  LYS 120           HZ3      LYS 120  12.059   8.868 -19.091
  897    H    GLU 121           H        GLU 121  17.755   7.120 -15.593
  898    HA   GLU 121           HA       GLU 121  16.090   5.005 -16.442
  899    HB2  GLU 121           HB2      GLU 121  17.959   5.090 -17.749
  900    HB3  GLU 121           HB3      GLU 121  18.923   5.830 -16.466
  901    HG2  GLU 121           HG2      GLU 121  19.535   3.850 -15.494
  902    HG3  GLU 121           HG3      GLU 121  18.442   2.864 -16.497
  903    H    ARG 122           H        ARG 122  18.256   5.306 -13.609
  904    HA   ARG 122           HA       ARG 122  17.831   2.550 -12.804
  905    HB2  ARG 122           HB2      ARG 122  19.075   4.948 -11.436
  906    HB3  ARG 122           HB3      ARG 122  18.912   3.364 -10.660
  907    HG2  ARG 122           HG2      ARG 122  20.384   2.278 -12.028
  908    HG3  ARG 122           HG3      ARG 122  20.159   3.408 -13.354
  909    HD2  ARG 122           HD2      ARG 122  21.380   5.169 -12.024
  910    HD3  ARG 122           HD3      ARG 122  21.653   3.969 -10.757
  911    HE   ARG 122           HE       ARG 122  23.432   3.199 -11.930
  912   HH11  ARG 122          HH11      ARG 122  21.265   4.711 -14.303
  913   HH12  ARG 122          HH12      ARG 122  22.218   4.279 -15.678
  914   HH21  ARG 122          HH21      ARG 122  24.888   2.947 -13.735
  915   HH22  ARG 122          HH22      ARG 122  24.473   3.682 -15.252
  916    H    VAL 123           H        VAL 123  16.321   5.664 -11.588
  917    HA   VAL 123           HA       VAL 123  14.499   4.521  -9.867
  918    HB   VAL 123           HB       VAL 123  14.156   6.847 -11.796
  919   HG11  VAL 123          HG11      VAL 123  12.478   6.054  -9.375
  920   HG12  VAL 123          HG12      VAL 123  12.395   7.600 -10.255
  921   HG13  VAL 123          HG13      VAL 123  11.940   6.108 -11.066
  922   HG21  VAL 123          HG21      VAL 123  14.641   8.231  -9.827
  923   HG22  VAL 123          HG22      VAL 123  14.842   6.785  -8.827
  924   HG23  VAL 123          HG23      VAL 123  15.990   7.141 -10.113
  925    H    GLU 124           H        GLU 124  14.115   4.823 -13.500
  926    HA   GLU 124           HA       GLU 124  11.613   3.511 -13.542
  927    HB2  GLU 124           HB2      GLU 124  13.815   3.605 -15.660
  928    HB3  GLU 124           HB3      GLU 124  12.216   2.910 -15.929
  929    HG2  GLU 124           HG2      GLU 124  11.174   5.101 -15.409
  930    HG3  GLU 124           HG3      GLU 124  12.786   5.795 -15.183
  931    H    ASN 125           H        ASN 125  14.896   2.216 -13.572
  932    HA   ASN 125           HA       ASN 125  14.250  -0.502 -14.043
  933    HB2  ASN 125           HB2      ASN 125  16.564   0.832 -13.955
  934    HB3  ASN 125           HB3      ASN 125  16.591   0.276 -12.286
  935   HD21  ASN 125          HD22      ASN 125  17.214  -0.507 -15.548
  936   HD22  ASN 125          HD21      ASN 125  17.529  -2.215 -15.340
  937    H    LEU 126           H        LEU 126  14.653   1.330 -11.022
  938    HA   LEU 126           HA       LEU 126  14.128  -0.842  -9.292
  939    HB2  LEU 126           HB2      LEU 126  14.690   0.485  -7.635
  940    HB3  LEU 126           HB3      LEU 126  15.142   1.605  -8.895
  941    HG   LEU 126           HG       LEU 126  12.696   2.474  -8.680
  942   HD11  LEU 126          HD11      LEU 126  13.039   1.366  -5.858
  943   HD12  LEU 126          HD12      LEU 126  11.633   2.221  -6.521
  944   HD13  LEU 126          HD13      LEU 126  12.032   0.575  -7.054
  945   HD21  LEU 126          HD21      LEU 126  14.496   3.059  -6.327
  946   HD22  LEU 126          HD22      LEU 126  14.801   3.667  -7.951
  947   HD23  LEU 126          HD23      LEU 126  13.311   4.119  -7.124
  948    H    ILE 127           H        ILE 127  11.907   1.650 -10.534
  949    HA   ILE 127           HA       ILE 127   9.532   0.716  -9.318
  950    HB   ILE 127           HB       ILE 127  10.170   2.134 -11.933
  951   HG12  ILE 127          HG12      ILE 127   8.788   3.244  -9.446
  952   HG13  ILE 127          HG13      ILE 127  10.538   3.279  -9.630
  953   HG21  ILE 127          HG21      ILE 127   8.106   1.079 -12.392
  954   HG22  ILE 127          HG22      ILE 127   7.446   1.438 -10.784
  955   HG23  ILE 127          HG23      ILE 127   7.691   2.733 -11.991
  956   HD11  ILE 127          HD11      ILE 127  10.302   4.587 -11.740
  957   HD12  ILE 127          HD12      ILE 127   8.555   4.669 -11.482
  958   HD13  ILE 127          HD13      ILE 127   9.649   5.419 -10.314
  959    H    ALA 128           H        ALA 128  11.235  -0.475 -12.264
  960    HA   ALA 128           HA       ALA 128   9.056  -1.968 -13.264
  961    HB1  ALA 128           HB1      ALA 128  10.716  -3.184 -14.596
  962    HB2  ALA 128           HB2      ALA 128  11.108  -1.454 -14.563
  963    HB3  ALA 128           HB3      ALA 128  12.028  -2.598 -13.558
  964    H    LYS 129           H        LYS 129  11.334  -2.702 -10.719
  965    HA   LYS 129           HA       LYS 129  10.879  -5.501 -10.474
  966    HB2  LYS 129           HB2      LYS 129  11.967  -3.429  -8.577
  967    HB3  LYS 129           HB3      LYS 129  12.104  -5.176  -8.327
  968    HG2  LYS 129           HG2      LYS 129  13.461  -5.420 -10.346
  969    HG3  LYS 129           HG3      LYS 129  13.206  -3.729 -10.776
  970    HD2  LYS 129           HD2      LYS 129  14.256  -3.228  -8.421
  971    HD3  LYS 129           HD3      LYS 129  14.917  -4.863  -8.578
  972    HE2  LYS 129           HE2      LYS 129  15.261  -2.501 -10.492
  973    HE3  LYS 129           HE3      LYS 129  16.499  -3.111  -9.394
  974    HZ1  LYS 129           HZ1      LYS 129  15.361  -4.708 -11.615
  975    HZ2  LYS 129           HZ2      LYS 129  16.689  -3.790 -11.757
  976    HZ3  LYS 129           HZ3      LYS 129  16.688  -5.072 -10.719
  977    H    ILE 130           H        ILE 130   9.080  -2.702  -9.288
  978    HA   ILE 130           HA       ILE 130   7.631  -4.318  -7.341
  979    HB   ILE 130           HB       ILE 130   7.371  -2.001  -6.293
  980   HG12  ILE 130          HG12      ILE 130   9.493  -1.244  -8.232
  981   HG13  ILE 130          HG13      ILE 130   7.911  -0.506  -7.986
  982   HG21  ILE 130          HG21      ILE 130   8.932  -3.915  -5.558
  983   HG22  ILE 130          HG22      ILE 130  10.208  -3.107  -6.500
  984   HG23  ILE 130          HG23      ILE 130   9.486  -2.316  -5.072
  985   HD11  ILE 130          HD11      ILE 130  10.310  -0.465  -6.116
  986   HD12  ILE 130          HD12      ILE 130   9.648   0.885  -7.036
  987   HD13  ILE 130          HD13      ILE 130   8.712   0.169  -5.685
  988    H    SER 131           H        SER 131   7.244  -2.247 -10.017
  989    HA   SER 131           HA       SER 131   4.710  -1.268 -10.041
  990    HB2  SER 131           HB2      SER 131   6.075  -2.826 -12.272
  991    HB3  SER 131           HB3      SER 131   4.645  -1.799 -12.476
  992    HG   SER 131           HG       SER 131   7.207  -0.975 -11.527
  Start of MODEL   19
    1    H    MET   1           H        MET   1   2.077  -1.812  -3.396
    2    HA   MET   1           HA       MET   1   2.846   0.337  -4.033
    3    HB2  MET   1           HB2      MET   1   1.113   1.701  -3.079
    4    HB3  MET   1           HB3      MET   1   1.520   1.210  -1.432
    5    HG2  MET   1           HG2      MET   1   3.576   2.436  -1.470
    6    HG3  MET   1           HG3      MET   1   3.448   2.752  -3.196
    7    HE1  MET   1           HE1      MET   1   0.753   3.876  -3.945
    8    HE2  MET   1           HE2      MET   1   0.877   5.594  -3.519
    9    HE3  MET   1           HE3      MET   1   2.253   4.774  -4.278
   10    H    LYS   2           H        LYS   2   4.964   0.900  -3.558
   11    HA   LYS   2           HA       LYS   2   6.247  -0.379  -1.151
   12    HB2  LYS   2           HB2      LYS   2   7.132  -0.190  -4.037
   13    HB3  LYS   2           HB3      LYS   2   8.332   0.161  -2.806
   14    HG2  LYS   2           HG2      LYS   2   8.615  -2.087  -3.268
   15    HG3  LYS   2           HG3      LYS   2   7.787  -2.022  -1.712
   16    HD2  LYS   2           HD2      LYS   2   5.711  -2.761  -2.677
   17    HD3  LYS   2           HD3      LYS   2   6.305  -2.476  -4.319
   18    HE2  LYS   2           HE2      LYS   2   6.369  -4.880  -3.871
   19    HE3  LYS   2           HE3      LYS   2   8.006  -4.248  -4.056
   20    HZ1  LYS   2           HZ1      LYS   2   8.146  -4.205  -1.583
   21    HZ2  LYS   2           HZ2      LYS   2   6.701  -4.995  -1.513
   22    HZ3  LYS   2           HZ3      LYS   2   8.036  -5.685  -2.188
   23    H    LYS   3           H        LYS   3   7.391   0.987   0.147
   24    HA   LYS   3           HA       LYS   3   7.488   3.851  -0.612
   25    HB2  LYS   3           HB2      LYS   3   7.681   2.333   2.000
   26    HB3  LYS   3           HB3      LYS   3   8.612   3.816   1.863
   27    HG2  LYS   3           HG2      LYS   3   6.750   5.126   1.132
   28    HG3  LYS   3           HG3      LYS   3   5.672   3.710   1.087
   29    HD2  LYS   3           HD2      LYS   3   5.805   3.482   3.510
   30    HD3  LYS   3           HD3      LYS   3   7.072   4.736   3.587
   31    HE2  LYS   3           HE2      LYS   3   5.504   6.410   2.726
   32    HE3  LYS   3           HE3      LYS   3   4.215   5.195   2.636
   33    HZ1  LYS   3           HZ1      LYS   3   4.173   6.583   4.687
   34    HZ2  LYS   3           HZ2      LYS   3   4.295   4.983   5.016
   35    HZ3  LYS   3           HZ3      LYS   3   5.619   5.924   5.141
   36    H    VAL   4           H        VAL   4   9.269   4.638  -1.575
   37    HA   VAL   4           HA       VAL   4  11.780   3.111  -1.232
   38    HB   VAL   4           HB       VAL   4  10.803   3.002  -3.405
   39   HG11  VAL   4          HG11      VAL   4  10.758   4.877  -4.969
   40   HG12  VAL   4          HG12      VAL   4   9.617   5.111  -3.634
   41   HG13  VAL   4          HG13      VAL   4  11.165   5.990  -3.656
   42   HG21  VAL   4          HG21      VAL   4  13.340   4.696  -3.510
   43   HG22  VAL   4          HG22      VAL   4  13.315   2.987  -3.054
   44   HG23  VAL   4          HG23      VAL   4  12.807   3.473  -4.677
   45    H    MET   5           H        MET   5  13.538   4.029  -0.470
   46    HA   MET   5           HA       MET   5  13.566   6.971  -0.005
   47    HB2  MET   5           HB2      MET   5  13.768   5.641   2.024
   48    HB3  MET   5           HB3      MET   5  15.121   4.737   1.336
   49    HG2  MET   5           HG2      MET   5  15.917   6.478   2.881
   50    HG3  MET   5           HG3      MET   5  16.480   6.741   1.248
   51    HE1  MET   5           HE1      MET   5  13.385   9.307   3.514
   52    HE2  MET   5           HE2      MET   5  13.255   7.546   3.304
   53    HE3  MET   5           HE3      MET   5  14.574   8.231   4.278
   54    H    PHE   6           H        PHE   6  15.431   8.129  -0.712
   55    HA   PHE   6           HA       PHE   6  17.548   6.691  -2.242
   56    HB2  PHE   6           HB2      PHE   6  16.380   9.396  -2.912
   57    HB3  PHE   6           HB3      PHE   6  17.809   8.652  -3.641
   58    HD1  PHE   6           HD1      PHE   6  14.107   8.510  -3.357
   59    HD2  PHE   6           HD2      PHE   6  17.620   6.876  -5.267
   60    HE1  PHE   6           HE1      PHE   6  12.698   7.223  -5.015
   61    HE2  PHE   6           HE2      PHE   6  16.181   5.723  -6.948
   62    HZ   PHE   6           HZ       PHE   6  13.722   5.907  -6.790
   63    H    VAL   7           H        VAL   7  19.277   6.838  -0.627
   64    HA   VAL   7           HA       VAL   7  19.446   9.325   1.005
   65    HB   VAL   7           HB       VAL   7  20.856   6.669   1.434
   66   HG11  VAL   7          HG11      VAL   7  20.319   8.943   3.394
   67   HG12  VAL   7          HG12      VAL   7  21.307   7.481   3.651
   68   HG13  VAL   7          HG13      VAL   7  21.852   8.705   2.522
   69   HG21  VAL   7          HG21      VAL   7  18.243   7.585   2.685
   70   HG22  VAL   7          HG22      VAL   7  18.532   6.133   1.679
   71   HG23  VAL   7          HG23      VAL   7  19.241   6.240   3.284
   72    H    CYS   8           H        CYS   8  21.160  10.756   0.499
   73    HA   CYS   8           HA       CYS   8  23.481   9.570  -0.982
   74    HB2  CYS   8           HB2      CYS   8  22.041  11.167  -2.305
   75    HB3  CYS   8           HB3      CYS   8  22.408  12.421  -1.131
   76    HG   CYS   8           HG       CYS   8  24.462  10.690  -3.071
   77    H    LYS   9           H        LYS   9  25.538  10.681  -0.742
   78    HA   LYS   9           HA       LYS   9  26.285  11.005   2.011
   79    HB2  LYS   9           HB2      LYS   9  27.597  10.668  -0.458
   80    HB3  LYS   9           HB3      LYS   9  28.045  12.309   0.001
   81    HG2  LYS   9           HG2      LYS   9  28.888  11.486   2.167
   82    HG3  LYS   9           HG3      LYS   9  28.319   9.844   1.778
   83    HD2  LYS   9           HD2      LYS   9  29.815   9.672  -0.099
   84    HD3  LYS   9           HD3      LYS   9  30.393  11.331   0.112
   85    HE2  LYS   9           HE2      LYS   9  30.710   9.082   2.161
   86    HE3  LYS   9           HE3      LYS   9  31.939   9.535   0.978
   87    HZ1  LYS   9           HZ1      LYS   9  32.043  11.731   1.999
   88    HZ2  LYS   9           HZ2      LYS   9  30.923  11.316   3.118
   89    HZ3  LYS   9           HZ3      LYS   9  32.372  10.576   3.095
   90    H    ARG  10           H        ARG  10  24.779  13.194  -0.259
   91    HA   ARG  10           HA       ARG  10  24.397  15.140   1.765
   92    HB2  ARG  10           HB2      ARG  10  25.062  17.068   0.394
   93    HB3  ARG  10           HB3      ARG  10  26.424  16.139   1.013
   94    HG2  ARG  10           HG2      ARG  10  26.719  15.126  -1.300
   95    HG3  ARG  10           HG3      ARG  10  25.472  16.213  -1.906
   96    HD2  ARG  10           HD2      ARG  10  28.025  17.119  -0.482
   97    HD3  ARG  10           HD3      ARG  10  27.808  17.040  -2.225
   98    HE   ARG  10           HE       ARG  10  26.437  18.900  -2.227
   99   HH11  ARG  10          HH11      ARG  10  27.206  18.203   1.196
  100   HH12  ARG  10          HH12      ARG  10  26.428  19.649   1.740
  101   HH21  ARG  10          HH21      ARG  10  25.877  20.829  -1.583
  102   HH22  ARG  10          HH22      ARG  10  25.892  21.331   0.098
  103    H    ASN  11           H        ASN  11  22.311  15.131   1.557
  104    HA   ASN  11           HA       ASN  11  20.724  14.001  -0.332
  105    HB2  ASN  11           HB2      ASN  11  19.864  14.763   1.829
  106    HB3  ASN  11           HB3      ASN  11  19.967  16.445   1.299
  107   HD21  ASN  11          HD22      ASN  11  18.583  13.354  -0.114
  108   HD22  ASN  11          HD21      ASN  11  17.067  14.106  -0.581
  109    H    SER  12           H        SER  12  22.108  17.225  -0.627
  110    HA   SER  12           HA       SER  12  20.604  18.764  -2.037
  111    HB2  SER  12           HB2      SER  12  23.560  18.229  -2.544
  112    HB3  SER  12           HB3      SER  12  22.707  19.737  -2.942
  113    HG   SER  12           HG       SER  12  22.317  20.114  -0.880
  114    H    CYS  13           H        CYS  13  22.115  15.977  -3.810
  115    HA   CYS  13           HA       CYS  13  20.871  17.125  -6.277
  116    HB2  CYS  13           HB2      CYS  13  22.972  16.578  -7.526
  117    HB3  CYS  13           HB3      CYS  13  23.065  17.959  -6.430
  118    HG   CYS  13           HG       CYS  13  24.283  16.813  -4.484
  119    H    ARG  14           H        ARG  14  22.913  14.206  -5.620
  120    HA   ARG  14           HA       ARG  14  21.823  12.786  -7.725
  121    HB2  ARG  14           HB2      ARG  14  22.985  11.657  -5.157
  122    HB3  ARG  14           HB3      ARG  14  22.532  10.665  -6.552
  123    HG2  ARG  14           HG2      ARG  14  23.998  11.988  -8.015
  124    HG3  ARG  14           HG3      ARG  14  24.524  12.950  -6.620
  125    HD2  ARG  14           HD2      ARG  14  24.780   9.927  -6.641
  126    HD3  ARG  14           HD3      ARG  14  25.986  10.954  -7.437
  127    HE   ARG  14           HE       ARG  14  25.825  12.109  -4.963
  128   HH11  ARG  14          HH11      ARG  14  26.309   8.711  -5.872
  129   HH12  ARG  14          HH12      ARG  14  27.609   8.486  -4.749
  130   HH21  ARG  14          HH22      ARG  14  27.329  11.826  -3.502
  131   HH22  ARG  14          HH21      ARG  14  28.085  10.267  -3.167
  132    H    SER  15           H        SER  15  20.877  12.613  -4.298
  133    HA   SER  15           HA       SER  15  18.723  10.805  -4.433
  134    HB2  SER  15           HB2      SER  15  18.306  12.391  -2.206
  135    HB3  SER  15           HB3      SER  15  19.423  11.025  -2.273
  136    HG   SER  15           HG       SER  15  19.958  13.813  -2.461
  137    H    GLN  16           H        GLN  16  18.779  14.406  -4.411
  138    HA   GLN  16           HA       GLN  16  15.963  14.732  -4.249
  139    HB2  GLN  16           HB2      GLN  16  18.347  16.443  -5.009
  140    HB3  GLN  16           HB3      GLN  16  16.740  17.084  -5.270
  141    HG2  GLN  16           HG2      GLN  16  17.597  15.909  -2.603
  142    HG3  GLN  16           HG3      GLN  16  17.845  17.605  -3.007
  143   HE21  GLN  16          HE22      GLN  16  16.310  16.698  -0.792
  144   HE22  GLN  16          HE21      GLN  16  14.678  17.303  -1.050
  145    H    MET  17           H        MET  17  18.167  14.609  -7.092
  146    HA   MET  17           HA       MET  17  16.073  15.008  -9.030
  147    HB2  MET  17           HB2      MET  17  18.843  13.771  -9.159
  148    HB3  MET  17           HB3      MET  17  17.756  13.853 -10.549
  149    HG2  MET  17           HG2      MET  17  17.525  16.333 -10.136
  150    HG3  MET  17           HG3      MET  17  18.888  16.213  -9.022
  151    HE1  MET  17           HE1      MET  17  21.842  15.344 -11.431
  152    HE2  MET  17           HE2      MET  17  21.372  15.856  -9.792
  153    HE3  MET  17           HE3      MET  17  20.909  14.243 -10.392
  154    H    ALA  18           H        ALA  18  17.576  12.014  -7.648
  155    HA   ALA  18           HA       ALA  18  16.115  10.173  -9.164
  156    HB1  ALA  18           HB1      ALA  18  16.615   8.574  -7.465
  157    HB2  ALA  18           HB2      ALA  18  18.007   9.667  -7.522
  158    HB3  ALA  18           HB3      ALA  18  16.815   9.823  -6.221
  159    H    GLU  19           H        GLU  19  15.200  11.882  -6.201
  160    HA   GLU  19           HA       GLU  19  12.694  10.516  -5.846
  161    HB2  GLU  19           HB2      GLU  19  13.457  11.507  -3.936
  162    HB3  GLU  19           HB3      GLU  19  13.876  13.048  -4.711
  163    HG2  GLU  19           HG2      GLU  19  11.564  13.707  -4.823
  164    HG3  GLU  19           HG3      GLU  19  11.012  12.093  -4.376
  165    H    GLY  20           H        GLY  20  13.505  13.625  -7.460
  166    HA2  GLY  20           HA2      GLY  20  10.841  14.333  -8.154
  167    HA3  GLY  20           HA3      GLY  20  12.316  14.839  -8.992
  168    H    PHE  21           H        PHE  21  13.274  12.269  -9.903
  169    HA   PHE  21           HA       PHE  21  11.533  11.830 -12.152
  170    HB2  PHE  21           HB2      PHE  21  13.693   9.951 -11.151
  171    HB3  PHE  21           HB3      PHE  21  12.982   9.985 -12.756
  172    HD1  PHE  21           HD2      PHE  21  13.094  12.889 -13.501
  173    HD2  PHE  21           HD1      PHE  21  15.958  10.385 -11.474
  174    HE1  PHE  21           HE2      PHE  21  14.880  14.546 -13.971
  175    HE2  PHE  21           HE1      PHE  21  17.757  11.986 -12.051
  176    HZ   PHE  21           HZ       PHE  21  17.205  14.112 -13.210
  177    H    ALA  22           H        ALA  22  12.207   9.878  -9.197
  178    HA   ALA  22           HA       ALA  22  10.510   7.721  -9.746
  179    HB1  ALA  22           HB1      ALA  22  12.214   7.737  -7.935
  180    HB2  ALA  22           HB2      ALA  22  11.258   8.953  -7.080
  181    HB3  ALA  22           HB3      ALA  22  10.614   7.308  -7.290
  182    H    LYS  23           H        LYS  23   9.576  10.768  -8.020
  183    HA   LYS  23           HA       LYS  23   6.940   9.713  -7.665
  184    HB2  LYS  23           HB2      LYS  23   6.259  11.818  -6.880
  185    HB3  LYS  23           HB3      LYS  23   7.884  11.548  -6.279
  186    HG2  LYS  23           HG2      LYS  23   8.725  13.005  -8.195
  187    HG3  LYS  23           HG3      LYS  23   7.019  13.386  -8.516
  188    HD2  LYS  23           HD2      LYS  23   6.981  13.925  -5.897
  189    HD3  LYS  23           HD3      LYS  23   8.741  14.067  -6.115
  190    HE2  LYS  23           HE2      LYS  23   8.252  15.622  -8.075
  191    HE3  LYS  23           HE3      LYS  23   6.534  15.510  -7.641
  192    HZ1  LYS  23           HZ1      LYS  23   8.693  16.603  -5.890
  193    HZ2  LYS  23           HZ2      LYS  23   7.584  17.497  -6.697
  194    HZ3  LYS  23           HZ3      LYS  23   7.103  16.514  -5.488
  195    H    THR  24           H        THR  24   8.499  11.394 -10.447
  196    HA   THR  24           HA       THR  24   5.927  11.972 -11.602
  197    HB   THR  24           HB       THR  24   8.742  11.713 -12.853
  198    HG1  THR  24           HG1      THR  24   8.879  13.311 -11.355
  199   HG21  THR  24          HG21      THR  24   7.043  11.735 -14.563
  200   HG22  THR  24          HG22      THR  24   6.244  13.146 -13.821
  201   HG23  THR  24          HG23      THR  24   7.865  13.304 -14.550
  202    H    LEU  25           H        LEU  25   8.349   9.425 -11.844
  203    HA   LEU  25           HA       LEU  25   7.177   7.921 -13.962
  204    HB2  LEU  25           HB2      LEU  25   9.217   7.248 -11.823
  205    HB3  LEU  25           HB3      LEU  25   8.852   6.216 -13.204
  206    HG   LEU  25           HG       LEU  25   9.879   9.090 -13.503
  207   HD11  LEU  25          HD11      LEU  25  11.362   6.440 -13.407
  208   HD12  LEU  25          HD12      LEU  25  12.064   7.967 -14.007
  209   HD13  LEU  25          HD13      LEU  25  11.516   7.840 -12.329
  210   HD21  LEU  25          HD21      LEU  25  10.455   8.303 -15.796
  211   HD22  LEU  25          HD22      LEU  25   9.634   6.760 -15.460
  212   HD23  LEU  25          HD23      LEU  25   8.715   8.279 -15.495
  213    H    GLY  26           H        GLY  26   7.080   7.623 -10.435
  214    HA2  GLY  26           HA2      GLY  26   4.952   5.547 -10.733
  215    HA3  GLY  26           HA3      GLY  26   6.351   5.414  -9.670
  216    H    ALA  27           H        ALA  27   5.059   8.644  -9.407
  217    HA   ALA  27           HA       ALA  27   3.907   8.212  -6.853
  218    HB1  ALA  27           HB1      ALA  27   4.468  10.511  -7.516
  219    HB2  ALA  27           HB2      ALA  27   3.374  10.440  -8.901
  220    HB3  ALA  27           HB3      ALA  27   2.729  10.425  -7.245
  221    H    GLY  28           H        GLY  28   2.211   6.998  -6.368
  222    HA2  GLY  28           HA2      GLY  28  -0.277   6.754  -6.697
  223    HA3  GLY  28           HA3      GLY  28   0.081   6.491  -8.410
  224    H    LYS  29           H        LYS  29   2.665   4.972  -7.607
  225    HA   LYS  29           HA       LYS  29   1.463   2.547  -6.387
  226    HB2  LYS  29           HB2      LYS  29   2.797   1.190  -8.067
  227    HB3  LYS  29           HB3      LYS  29   1.268   1.912  -8.549
  228    HG2  LYS  29           HG2      LYS  29   2.577   2.239 -10.422
  229    HG3  LYS  29           HG3      LYS  29   2.617   3.805  -9.655
  230    HD2  LYS  29           HD2      LYS  29   4.853   3.352 -10.352
  231    HD3  LYS  29           HD3      LYS  29   4.824   3.152  -8.604
  232    HE2  LYS  29           HE2      LYS  29   6.109   1.348  -9.570
  233    HE3  LYS  29           HE3      LYS  29   4.611   0.641  -8.977
  234    HZ1  LYS  29           HZ1      LYS  29   5.029   1.436 -11.814
  235    HZ2  LYS  29           HZ2      LYS  29   5.279  -0.070 -11.270
  236    HZ3  LYS  29           HZ3      LYS  29   3.771   0.571 -11.223
  237    H    ILE  30           H        ILE  30   4.200   4.712  -6.630
  238    HA   ILE  30           HA       ILE  30   5.266   3.256  -4.289
  239    HB   ILE  30           HB       ILE  30   7.519   4.128  -4.901
  240   HG12  ILE  30          HG12      ILE  30   6.580   4.313  -7.774
  241   HG13  ILE  30          HG13      ILE  30   6.675   5.742  -6.743
  242   HG21  ILE  30          HG21      ILE  30   7.988   2.242  -6.434
  243   HG22  ILE  30          HG22      ILE  30   6.954   1.814  -5.075
  244   HG23  ILE  30          HG23      ILE  30   6.240   2.016  -6.700
  245   HD11  ILE  30          HD11      ILE  30   9.057   5.433  -6.412
  246   HD12  ILE  30          HD12      ILE  30   9.067   3.948  -7.418
  247   HD13  ILE  30          HD13      ILE  30   8.680   5.510  -8.139
  248    H    ALA  31           H        ALA  31   5.927   4.553  -2.635
  249    HA   ALA  31           HA       ALA  31   5.324   7.478  -2.867
  250    HB1  ALA  31           HB1      ALA  31   5.217   5.562  -0.497
  251    HB2  ALA  31           HB2      ALA  31   5.154   7.333  -0.347
  252    HB3  ALA  31           HB3      ALA  31   3.869   6.466  -1.213
  253    H    VAL  32           H        VAL  32   7.178   8.535  -3.160
  254    HA   VAL  32           HA       VAL  32   9.695   7.267  -2.319
  255    HB   VAL  32           HB       VAL  32   9.508   7.690  -4.617
  256   HG11  VAL  32          HG11      VAL  32   7.808   9.335  -4.901
  257   HG12  VAL  32          HG12      VAL  32   8.782  10.571  -4.056
  258   HG13  VAL  32          HG13      VAL  32   9.300   9.928  -5.626
  259   HG21  VAL  32          HG21      VAL  32  11.481   9.009  -4.996
  260   HG22  VAL  32          HG22      VAL  32  11.231   9.966  -3.544
  261   HG23  VAL  32          HG23      VAL  32  11.680   8.260  -3.404
  262    H    THR  33           H        THR  33  11.242   8.329  -1.169
  263    HA   THR  33           HA       THR  33  10.960  11.155  -0.529
  264    HB   THR  33           HB       THR  33  11.718   9.105   1.596
  265    HG1  THR  33           HG1      THR  33   9.172  10.075   0.951
  266   HG21  THR  33          HG21      THR  33  10.888  12.031   1.801
  267   HG22  THR  33          HG22      THR  33  11.179  10.947   3.181
  268   HG23  THR  33          HG23      THR  33  12.505  11.352   2.094
  269    H    SER  34           H        SER  34  13.135  12.094  -0.465
  270    HA   SER  34           HA       SER  34  15.378  10.165  -0.487
  271    HB2  SER  34           HB2      SER  34  16.588  11.603  -1.841
  272    HB3  SER  34           HB3      SER  34  15.031  11.423  -2.610
  273    HG   SER  34           HG       SER  34  14.416  13.420  -1.897
  274    H    CYS  35           H        CYS  35  17.365  10.998   0.500
  275    HA   CYS  35           HA       CYS  35  17.092  12.931   2.662
  276    HB2  CYS  35           HB2      CYS  35  17.132   9.912   3.069
  277    HB3  CYS  35           HB3      CYS  35  17.900  10.960   4.260
  278    HG   CYS  35           HG       CYS  35  14.909  11.591   3.097
  279    H    GLY  36           H        GLY  36  19.364  12.444   4.037
  280    HA2  GLY  36           HA2      GLY  36  21.379  11.251   2.385
  281    HA3  GLY  36           HA3      GLY  36  21.617  13.002   2.577
  282    H    LEU  37           H        LEU  37  23.433  11.136   3.446
  283    HA   LEU  37           HA       LEU  37  23.411  10.334   6.145
  284    HB2  LEU  37           HB2      LEU  37  25.607  11.305   4.285
  285    HB3  LEU  37           HB3      LEU  37  25.953  11.031   5.983
  286    HG   LEU  37           HG       LEU  37  25.232   8.701   5.833
  287   HD11  LEU  37          HD11      LEU  37  24.936   7.597   3.638
  288   HD12  LEU  37          HD12      LEU  37  23.639   8.728   4.002
  289   HD13  LEU  37          HD13      LEU  37  24.915   9.184   2.844
  290   HD21  LEU  37          HD21      LEU  37  27.170   7.885   4.543
  291   HD22  LEU  37          HD22      LEU  37  27.342   9.489   3.795
  292   HD23  LEU  37          HD23      LEU  37  27.590   9.286   5.540
  293    H    GLU  38           H        GLU  38  23.898  13.525   4.744
  294    HA   GLU  38           HA       GLU  38  23.152  14.800   7.261
  295    HB2  GLU  38           HB2      GLU  38  25.621  15.602   5.626
  296    HB3  GLU  38           HB3      GLU  38  24.846  16.618   6.847
  297    HG2  GLU  38           HG2      GLU  38  25.304  14.859   8.569
  298    HG3  GLU  38           HG3      GLU  38  26.187  13.930   7.351
  299    H    SER  39           H        SER  39  22.018  16.789   6.750
  300    HA   SER  39           HA       SER  39  20.928  16.941   4.051
  301    HB2  SER  39           HB2      SER  39  19.759  18.973   5.211
  302    HB3  SER  39           HB3      SER  39  19.330  17.332   5.703
  303    HG   SER  39           HG       SER  39  19.720  18.773   7.480
  304    H    SER  40           H        SER  40  20.976  18.880   2.811
  305    HA   SER  40           HA       SER  40  22.486  21.207   3.392
  306    HB2  SER  40           HB2      SER  40  23.598  19.168   1.417
  307    HB3  SER  40           HB3      SER  40  23.907  20.908   1.233
  308    HG   SER  40           HG       SER  40  24.374  19.589   3.677
  309    H    ARG  41           H        ARG  41  21.946  22.788   1.568
  310    HA   ARG  41           HA       ARG  41  19.246  22.566   0.868
  311    HB2  ARG  41           HB2      ARG  41  19.600  24.527  -0.549
  312    HB3  ARG  41           HB3      ARG  41  20.331  24.734   1.031
  313    HG2  ARG  41           HG2      ARG  41  22.520  24.663   0.219
  314    HG3  ARG  41           HG3      ARG  41  22.104  23.750  -1.229
  315    HD2  ARG  41           HD2      ARG  41  21.275  26.635  -0.756
  316    HD3  ARG  41           HD3      ARG  41  22.702  26.129  -1.684
  317    HE   ARG  41           HE       ARG  41  20.614  24.697  -2.807
  318   HH11  ARG  41          HH11      ARG  41  21.295  28.165  -2.448
  319   HH12  ARG  41          HH12      ARG  41  20.312  28.622  -3.790
  320   HH21  ARG  41          HH21      ARG  41  19.337  25.251  -4.480
  321   HH22  ARG  41          HH22      ARG  41  19.132  26.902  -4.996
  322    H    VAL  42           H        VAL  42  18.199  22.408  -1.204
  323    HA   VAL  42           HA       VAL  42  19.199  20.305  -2.901
  324    HB   VAL  42           HB       VAL  42  17.004  22.323  -3.543
  325   HG11  VAL  42          HG11      VAL  42  17.870  21.113  -5.517
  326   HG12  VAL  42          HG12      VAL  42  17.678  19.564  -4.682
  327   HG13  VAL  42          HG13      VAL  42  16.244  20.532  -5.095
  328   HG21  VAL  42          HG21      VAL  42  16.840  19.605  -2.166
  329   HG22  VAL  42          HG22      VAL  42  16.383  21.167  -1.490
  330   HG23  VAL  42          HG23      VAL  42  15.435  20.477  -2.822
  331    H    HIS  43           H        HIS  43  20.534  20.469  -4.655
  332    HA   HIS  43           HA       HIS  43  22.033  22.881  -4.902
  333    HB2  HIS  43           HB2      HIS  43  22.771  20.417  -5.166
  334    HB3  HIS  43           HB3      HIS  43  22.066  20.483  -6.778
  335    HD1  HIS  43           HD1      HIS  43  23.655  21.594  -8.602
  336    HD2  HIS  43           HD2      HIS  43  24.806  22.260  -4.617
  337    HE1  HIS  43           HE1      HIS  43  25.891  22.811  -8.696
  338    HA   PRO  44           HA       PRO  44  19.328  24.826  -7.673
  339    HB2  PRO  44           HB2      PRO  44  20.829  26.755  -8.935
  340    HB3  PRO  44           HB3      PRO  44  20.434  26.805  -7.192
  341    HG2  PRO  44           HG2      PRO  44  22.993  25.879  -8.503
  342    HG3  PRO  44           HG3      PRO  44  22.791  26.884  -7.038
  343    HD2  PRO  44           HD2      PRO  44  23.274  24.160  -7.031
  344    HD3  PRO  44           HD3      PRO  44  22.411  25.004  -5.699
  345    H    THR  45           H        THR  45  22.376  23.904  -9.441
  346    HA   THR  45           HA       THR  45  21.095  23.904 -11.925
  347    HB   THR  45           HB       THR  45  23.417  22.192 -10.976
  348    HG1  THR  45           HG1      THR  45  23.489  24.913 -11.732
  349   HG21  THR  45          HG21      THR  45  22.944  23.425 -13.714
  350   HG22  THR  45          HG22      THR  45  24.442  22.604 -13.180
  351   HG23  THR  45          HG23      THR  45  22.935  21.696 -13.292
  352    H    ALA  46           H        ALA  46  20.696  21.650  -9.356
  353    HA   ALA  46           HA       ALA  46  19.981  19.254 -10.768
  354    HB1  ALA  46           HB1      ALA  46  18.598  20.350  -8.290
  355    HB2  ALA  46           HB2      ALA  46  18.926  18.660  -8.715
  356    HB3  ALA  46           HB3      ALA  46  20.286  19.692  -8.207
  357    H    ILE  47           H        ILE  47  18.264  22.303  -9.891
  358    HA   ILE  47           HA       ILE  47  15.680  21.509 -10.483
  359    HB   ILE  47           HB       ILE  47  17.028  24.216 -10.808
  360   HG12  ILE  47          HG12      ILE  47  15.507  23.353  -8.321
  361   HG13  ILE  47          HG13      ILE  47  17.237  23.095  -8.452
  362   HG21  ILE  47          HG21      ILE  47  14.121  23.485 -10.407
  363   HG22  ILE  47          HG22      ILE  47  14.755  25.147 -10.415
  364   HG23  ILE  47          HG23      ILE  47  14.850  24.165 -11.874
  365   HD11  ILE  47          HD11      ILE  47  16.862  25.164  -7.286
  366   HD12  ILE  47          HD12      ILE  47  17.620  25.500  -8.868
  367   HD13  ILE  47          HD13      ILE  47  15.905  25.823  -8.625
  368    H    ALA  48           H        ALA  48  18.324  22.890 -12.464
  369    HA   ALA  48           HA       ALA  48  16.831  23.328 -14.793
  370    HB1  ALA  48           HB1      ALA  48  19.035  24.376 -14.335
  371    HB2  ALA  48           HB2      ALA  48  19.822  22.792 -14.555
  372    HB3  ALA  48           HB3      ALA  48  18.999  23.572 -15.918
  373    H    MET  49           H        MET  49  18.727  20.504 -13.773
  374    HA   MET  49           HA       MET  49  18.482  18.940 -16.154
  375    HB2  MET  49           HB2      MET  49  18.814  18.267 -13.205
  376    HB3  MET  49           HB3      MET  49  18.531  16.985 -14.365
  377    HG2  MET  49           HG2      MET  49  20.819  18.940 -14.395
  378    HG3  MET  49           HG3      MET  49  20.861  17.218 -13.988
  379    HE1  MET  49           HE1      MET  49  21.274  19.157 -18.047
  380    HE2  MET  49           HE2      MET  49  20.886  19.944 -16.505
  381    HE3  MET  49           HE3      MET  49  22.462  19.124 -16.735
  382    H    MET  50           H        MET  50  16.365  19.213 -13.312
  383    HA   MET  50           HA       MET  50  14.542  17.205 -14.326
  384    HB2  MET  50           HB2      MET  50  14.357  19.202 -12.030
  385    HB3  MET  50           HB3      MET  50  13.155  17.955 -12.394
  386    HG2  MET  50           HG2      MET  50  15.494  16.472 -12.545
  387    HG3  MET  50           HG3      MET  50  15.965  17.666 -11.380
  388    HE1  MET  50           HE1      MET  50  13.197  15.599 -12.614
  389    HE2  MET  50           HE2      MET  50  13.198  14.274 -11.439
  390    HE3  MET  50           HE3      MET  50  12.060  15.621 -11.239
  391    H    GLU  51           H        GLU  51  14.758  20.763 -14.529
  392    HA   GLU  51           HA       GLU  51  12.330  21.166 -15.882
  393    HB2  GLU  51           HB2      GLU  51  14.585  22.689 -15.152
  394    HB3  GLU  51           HB3      GLU  51  14.606  22.760 -16.901
  395    HG2  GLU  51           HG2      GLU  51  12.263  23.464 -15.071
  396    HG3  GLU  51           HG3      GLU  51  13.364  24.626 -15.797
  397    H    GLU  52           H        GLU  52  15.415  19.809 -17.062
  398    HA   GLU  52           HA       GLU  52  14.738  19.934 -19.823
  399    HB2  GLU  52           HB2      GLU  52  16.513  17.802 -18.571
  400    HB3  GLU  52           HB3      GLU  52  16.438  18.303 -20.252
  401    HG2  GLU  52           HG2      GLU  52  17.054  20.700 -19.246
  402    HG3  GLU  52           HG3      GLU  52  17.679  19.719 -17.920
  403    H    VAL  53           H        VAL  53  13.979  17.648 -17.228
  404    HA   VAL  53           HA       VAL  53  12.644  15.788 -19.094
  405    HB   VAL  53           HB       VAL  53  12.479  15.861 -16.065
  406   HG11  VAL  53          HG11      VAL  53  10.773  14.386 -17.080
  407   HG12  VAL  53          HG12      VAL  53  12.015  13.609 -18.084
  408   HG13  VAL  53          HG13      VAL  53  12.028  13.409 -16.319
  409   HG21  VAL  53          HG21      VAL  53  14.486  14.493 -17.898
  410   HG22  VAL  53          HG22      VAL  53  14.814  15.683 -16.614
  411   HG23  VAL  53          HG23      VAL  53  14.256  14.062 -16.191
  412    H    GLY  54           H        GLY  54  11.762  18.626 -17.230
  413    HA2  GLY  54           HA2      GLY  54   9.794  19.902 -17.705
  414    HA3  GLY  54           HA3      GLY  54   8.920  18.427 -18.140
  415    H    ILE  55           H        ILE  55  11.049  18.720 -15.313
  416    HA   ILE  55           HA       ILE  55   8.727  18.701 -13.442
  417    HB   ILE  55           HB       ILE  55  11.241  17.050 -13.113
  418   HG12  ILE  55          HG12      ILE  55   8.619  15.681 -13.751
  419   HG13  ILE  55          HG13      ILE  55   9.623  16.235 -15.079
  420   HG21  ILE  55          HG21      ILE  55   8.602  17.148 -11.592
  421   HG22  ILE  55          HG22      ILE  55   9.680  15.760 -11.463
  422   HG23  ILE  55          HG23      ILE  55  10.258  17.321 -10.947
  423   HD11  ILE  55          HD11      ILE  55  10.203  13.964 -14.616
  424   HD12  ILE  55          HD12      ILE  55  11.558  15.049 -14.237
  425   HD13  ILE  55          HD13      ILE  55  10.591  14.342 -12.927
  426    H    ASP  56           H        ASP  56   9.986  19.086 -11.068
  427    HA   ASP  56           HA       ASP  56  12.031  21.206 -11.276
  428    HB2  ASP  56           HB2      ASP  56  10.033  22.527 -11.451
  429    HB3  ASP  56           HB3      ASP  56   9.184  21.525 -10.264
  430    H    ILE  57           H        ILE  57  13.000  21.574  -9.199
  431    HA   ILE  57           HA       ILE  57  12.198  19.789  -7.004
  432    HB   ILE  57           HB       ILE  57  15.068  20.267  -7.044
  433   HG12  ILE  57          HG12      ILE  57  14.051  18.363  -9.154
  434   HG13  ILE  57          HG13      ILE  57  14.966  19.838  -9.442
  435   HG21  ILE  57          HG21      ILE  57  15.026  17.904  -6.252
  436   HG22  ILE  57          HG22      ILE  57  13.868  18.894  -5.420
  437   HG23  ILE  57          HG23      ILE  57  13.330  17.798  -6.735
  438   HD11  ILE  57          HD11      ILE  57  16.662  18.248  -9.477
  439   HD12  ILE  57          HD12      ILE  57  16.734  18.814  -7.803
  440   HD13  ILE  57          HD13      ILE  57  15.931  17.278  -8.185
  441    H    SER  58           H        SER  58  13.084  22.934  -8.009
  442    HA   SER  58           HA       SER  58  14.417  24.059  -5.894
  443    HB2  SER  58           HB2      SER  58  13.434  26.197  -6.617
  444    HB3  SER  58           HB3      SER  58  13.967  25.202  -7.978
  445    HG   SER  58           HG       SER  58  11.876  24.618  -8.411
  446    H    GLY  59           H        GLY  59  10.959  23.244  -5.950
  447    HA2  GLY  59           HA2      GLY  59  10.403  24.819  -3.534
  448    HA3  GLY  59           HA3      GLY  59   9.254  23.992  -4.582
  449    H    GLN  60           H        GLN  60  11.197  21.423  -4.163
  450    HA   GLN  60           HA       GLN  60   9.410  20.557  -2.038
  451    HB2  GLN  60           HB2      GLN  60  10.232  18.288  -2.483
  452    HB3  GLN  60           HB3      GLN  60   9.477  19.094  -3.870
  453    HG2  GLN  60           HG2      GLN  60  11.647  19.360  -4.922
  454    HG3  GLN  60           HG3      GLN  60  12.468  18.739  -3.487
  455   HE21  GLN  60          HE22      GLN  60  13.355  16.831  -4.264
  456   HE22  GLN  60          HE21      GLN  60  12.425  15.538  -5.002
  457    H    THR  61           H        THR  61  12.748  21.206  -2.279
  458    HA   THR  61           HA       THR  61  14.302  21.628  -0.744
  459    HB   THR  61           HB       THR  61  13.750  22.233   1.514
  460    HG1  THR  61           HG1      THR  61  11.428  20.799   1.005
  461   HG21  THR  61          HG21      THR  61  12.188  24.007   1.027
  462   HG22  THR  61          HG22      THR  61  13.273  23.746  -0.350
  463   HG23  THR  61          HG23      THR  61  11.588  23.143  -0.418
  464    H    SER  62           H        SER  62  15.438  20.904   1.259
  465    HA   SER  62           HA       SER  62  16.101  18.135   0.732
  466    HB2  SER  62           HB2      SER  62  17.401  20.060   2.679
  467    HB3  SER  62           HB3      SER  62  18.106  18.606   1.942
  468    HG   SER  62           HG       SER  62  18.840  20.189   0.768
  469    H    ASP  63           H        ASP  63  16.734  16.599   2.539
  470    HA   ASP  63           HA       ASP  63  15.460  17.022   5.137
  471    HB2  ASP  63           HB2      ASP  63  14.285  15.301   3.056
  472    HB3  ASP  63           HB3      ASP  63  14.765  14.357   4.454
  473    HA   PRO  64           HA       PRO  64  19.132  14.398   5.892
  474    HB2  PRO  64           HB2      PRO  64  19.141  14.345   8.603
  475    HB3  PRO  64           HB3      PRO  64  19.534  15.836   7.702
  476    HG2  PRO  64           HG2      PRO  64  16.900  15.067   8.986
  477    HG3  PRO  64           HG3      PRO  64  17.757  16.635   9.072
  478    HD2  PRO  64           HD2      PRO  64  15.697  16.087   7.296
  479    HD3  PRO  64           HD3      PRO  64  16.992  17.274   6.962
  480    H    ILE  65           H        ILE  65  19.473  12.218   6.463
  481    HA   ILE  65           HA       ILE  65  17.378  10.326   6.384
  482    HB   ILE  65           HB       ILE  65  19.725   9.932   5.884
  483   HG12  ILE  65          HG12      ILE  65  18.506   7.999   7.898
  484   HG13  ILE  65          HG13      ILE  65  18.033   8.169   6.198
  485   HG21  ILE  65          HG21      ILE  65  20.788  11.041   7.875
  486   HG22  ILE  65          HG22      ILE  65  20.221   9.689   8.885
  487   HG23  ILE  65          HG23      ILE  65  21.381   9.414   7.575
  488   HD11  ILE  65          HD11      ILE  65  20.507   7.763   5.654
  489   HD12  ILE  65          HD12      ILE  65  20.639   7.135   7.311
  490   HD13  ILE  65          HD13      ILE  65  19.521   6.383   6.146
  491    H    GLU  66           H        GLU  66  18.847  11.965   9.145
  492    HA   GLU  66           HA       GLU  66  17.909  10.484  11.260
  493    HB2  GLU  66           HB2      GLU  66  18.194  13.519  11.186
  494    HB3  GLU  66           HB3      GLU  66  18.321  12.469  12.601
  495    HG2  GLU  66           HG2      GLU  66  20.334  11.373  11.469
  496    HG3  GLU  66           HG3      GLU  66  20.265  12.654  10.252
  497    H    ASN  67           H        ASN  67  15.962  12.559   9.180
  498    HA   ASN  67           HA       ASN  67  13.912  13.050  11.191
  499    HB2  ASN  67           HB2      ASN  67  14.565  14.655   9.362
  500    HB3  ASN  67           HB3      ASN  67  13.868  13.535   8.193
  501   HD21  ASN  67          HD22      ASN  67  12.395  15.221   7.550
  502   HD22  ASN  67          HD21      ASN  67  10.982  15.592   8.530
  503    H    PHE  68           H        PHE  68  14.661  10.237   9.354
  504    HA   PHE  68           HA       PHE  68  11.844   9.305   9.518
  505    HB2  PHE  68           HB2      PHE  68  13.850   8.883   7.268
  506    HB3  PHE  68           HB3      PHE  68  12.262   8.126   7.416
  507    HD1  PHE  68           HD1      PHE  68  14.021  11.319   6.734
  508    HD2  PHE  68           HD2      PHE  68  10.229   9.272   6.882
  509    HE1  PHE  68           HE1      PHE  68  12.944  13.228   5.595
  510    HE2  PHE  68           HE2      PHE  68   9.138  11.220   5.778
  511    HZ   PHE  68           HZ       PHE  68  10.496  13.207   5.136
  512    H    ASN  69           H        ASN  69  12.046   6.823   8.837
  513    HA   ASN  69           HA       ASN  69  14.136   5.415  10.364
  514    HB2  ASN  69           HB2      ASN  69  12.182   3.924  11.229
  515    HB3  ASN  69           HB3      ASN  69  12.587   5.411  12.081
  516   HD21  ASN  69          HD22      ASN  69  10.585   5.096   9.057
  517   HD22  ASN  69          HD21      ASN  69   9.136   5.742   9.808
  518    H    ALA  70           H        ALA  70  14.797   3.739   9.247
  519    HA   ALA  70           HA       ALA  70  14.099   3.231   6.631
  520    HB1  ALA  70           HB1      ALA  70  15.547   1.264   6.800
  521    HB2  ALA  70           HB2      ALA  70  16.243   2.531   7.831
  522    HB3  ALA  70           HB3      ALA  70  15.323   1.199   8.559
  523    H    ASP  71           H        ASP  71  12.646   1.802   9.504
  524    HA   ASP  71           HA       ASP  71  11.606  -0.568   8.417
  525    HB2  ASP  71           HB2      ASP  71  11.694  -0.068  10.816
  526    HB3  ASP  71           HB3      ASP  71  10.518   1.234  10.612
  527    H    ASP  72           H        ASP  72  10.552   2.748   7.878
  528    HA   ASP  72           HA       ASP  72   7.843   1.983   7.134
  529    HB2  ASP  72           HB2      ASP  72   8.359   4.098   8.313
  530    HB3  ASP  72           HB3      ASP  72   9.285   4.646   6.906
  531    H    TYR  73           H        TYR  73  10.937   2.024   5.619
  532    HA   TYR  73           HA       TYR  73   9.849   2.515   2.967
  533    HB2  TYR  73           HB2      TYR  73  12.662   2.658   4.072
  534    HB3  TYR  73           HB3      TYR  73  12.267   2.795   2.357
  535    HD1  TYR  73           HD2      TYR  73  10.857   4.665   1.518
  536    HD2  TYR  73           HD1      TYR  73  12.195   4.523   5.609
  537    HE1  TYR  73           HE2      TYR  73  10.146   7.006   1.815
  538    HE2  TYR  73           HE1      TYR  73  11.553   6.896   5.924
  539    HH   TYR  73           HH       TYR  73  10.019   8.785   3.233
  540    H    ASP  74           H        ASP  74   9.757   0.863   1.484
  541    HA   ASP  74           HA       ASP  74  10.353  -1.826   2.532
  542    HB2  ASP  74           HB2      ASP  74   8.137  -1.266   1.501
  543    HB3  ASP  74           HB3      ASP  74   8.973  -1.025  -0.033
  544    H    VAL  75           H        VAL  75  11.412   0.615   0.284
  545    HA   VAL  75           HA       VAL  75  13.565  -1.121  -0.831
  546    HB   VAL  75           HB       VAL  75  11.922   1.086  -2.125
  547   HG11  VAL  75          HG11      VAL  75  12.937   0.691  -4.170
  548   HG12  VAL  75          HG12      VAL  75  14.296   0.727  -3.057
  549   HG13  VAL  75          HG13      VAL  75  13.686  -0.823  -3.669
  550   HG21  VAL  75          HG21      VAL  75  10.438  -0.768  -1.845
  551   HG22  VAL  75          HG22      VAL  75  10.883  -0.644  -3.548
  552   HG23  VAL  75          HG23      VAL  75  11.629  -1.900  -2.528
  553    H    VAL  76           H        VAL  76  15.570  -0.207  -0.536
  554    HA   VAL  76           HA       VAL  76  15.656   2.756  -0.077
  555    HB   VAL  76           HB       VAL  76  15.709   2.020   2.054
  556   HG11  VAL  76          HG11      VAL  76  17.581  -0.238   1.356
  557   HG12  VAL  76          HG12      VAL  76  17.107   0.243   3.006
  558   HG13  VAL  76          HG13      VAL  76  15.890  -0.324   1.870
  559   HG21  VAL  76          HG21      VAL  76  18.641   2.291   1.367
  560   HG22  VAL  76          HG22      VAL  76  17.481   3.636   1.486
  561   HG23  VAL  76          HG23      VAL  76  17.842   2.643   2.904
  562    H    ILE  77           H        ILE  77  16.499   3.568  -1.764
  563    HA   ILE  77           HA       ILE  77  18.891   2.356  -2.995
  564    HB   ILE  77           HB       ILE  77  17.266   4.850  -3.671
  565   HG12  ILE  77          HG12      ILE  77  15.888   2.975  -4.207
  566   HG13  ILE  77          HG13      ILE  77  16.577   3.591  -5.702
  567   HG21  ILE  77          HG21      ILE  77  18.582   4.788  -5.815
  568   HG22  ILE  77          HG22      ILE  77  19.531   5.202  -4.395
  569   HG23  ILE  77          HG23      ILE  77  19.643   3.571  -5.075
  570   HD11  ILE  77          HD11      ILE  77  18.291   1.772  -5.629
  571   HD12  ILE  77          HD12      ILE  77  17.498   1.105  -4.190
  572   HD13  ILE  77          HD13      ILE  77  16.627   1.153  -5.733
  573    H    SER  78           H        SER  78  20.797   3.298  -2.682
  574    HA   SER  78           HA       SER  78  20.935   5.886  -1.275
  575    HB2  SER  78           HB2      SER  78  22.627   3.488  -0.522
  576    HB3  SER  78           HB3      SER  78  22.842   5.134   0.108
  577    HG   SER  78           HG       SER  78  20.244   4.271   0.235
  578    H    LEU  79           H        LEU  79  22.963   6.959  -1.784
  579    HA   LEU  79           HA       LEU  79  24.307   6.173  -4.259
  580    HB2  LEU  79           HB2      LEU  79  23.406   8.841  -4.791
  581    HB3  LEU  79           HB3      LEU  79  23.179   7.389  -5.707
  582    HG   LEU  79           HG       LEU  79  21.040   7.039  -4.096
  583   HD11  LEU  79          HD11      LEU  79  21.352  10.036  -4.079
  584   HD12  LEU  79          HD12      LEU  79  20.164   9.027  -3.204
  585   HD13  LEU  79          HD13      LEU  79  21.883   9.019  -2.747
  586   HD21  LEU  79          HD21      LEU  79  19.645   8.290  -5.643
  587   HD22  LEU  79          HD22      LEU  79  21.075   9.058  -6.357
  588   HD23  LEU  79          HD23      LEU  79  20.848   7.307  -6.485
  589    H    CYS  80           H        CYS  80  25.634   5.948  -2.260
  590    HA   CYS  80           HA       CYS  80  26.471   8.479  -0.990
  591    HB2  CYS  80           HB2      CYS  80  27.455   5.613  -0.616
  592    HB3  CYS  80           HB3      CYS  80  27.879   7.018   0.390
  593    HG   CYS  80           HG       CYS  80  26.170   5.502   1.673
  594    H    GLY  81           H        GLY  81  27.856   5.982  -3.210
  595    HA2  GLY  81           HA2      GLY  81  29.386   6.494  -4.981
  596    HA3  GLY  81           HA3      GLY  81  29.828   8.012  -4.195
  597    H    CYS  82           H        CYS  82  31.940   6.591  -4.866
  598    HA   CYS  82           HA       CYS  82  33.540   5.026  -4.498
  599    HB2  CYS  82           HB2      CYS  82  33.343   6.828  -2.092
  600    HB3  CYS  82           HB3      CYS  82  34.795   5.850  -2.444
  601    HG   CYS  82           HG       CYS  82  35.238   6.840  -4.814
  602    H    GLY  83           H        GLY  83  31.082   3.751  -3.829
  603    HA2  GLY  83           HA2      GLY  83  30.213   1.947  -2.838
  604    HA3  GLY  83           HA3      GLY  83  31.880   1.374  -2.584
  605    H    VAL  84           H        VAL  84  30.684   4.350  -1.085
  606    HA   VAL  84           HA       VAL  84  31.002   3.414   1.605
  607    HB   VAL  84           HB       VAL  84  29.823   5.895   0.410
  608   HG11  VAL  84          HG11      VAL  84  30.045   6.932   2.663
  609   HG12  VAL  84          HG12      VAL  84  28.844   5.647   2.640
  610   HG13  VAL  84          HG13      VAL  84  30.456   5.342   3.335
  611   HG21  VAL  84          HG21      VAL  84  31.921   6.979   1.170
  612   HG22  VAL  84          HG22      VAL  84  32.515   5.408   1.746
  613   HG23  VAL  84          HG23      VAL  84  32.249   5.693   0.014
  614    H    ASN  85           H        ASN  85  29.244   3.179   3.085
  615    HA   ASN  85           HA       ASN  85  26.645   2.306   1.939
  616    HB2  ASN  85           HB2      ASN  85  28.462   0.427   2.022
  617    HB3  ASN  85           HB3      ASN  85  28.250   0.494   3.773
  618   HD21  ASN  85          HD22      ASN  85  26.492   0.046   0.653
  619   HD22  ASN  85          HD21      ASN  85  25.182  -0.889   1.334
  620    H    LEU  86           H        LEU  86  25.580   1.155   4.242
  621    HA   LEU  86           HA       LEU  86  25.383   3.502   6.068
  622    HB2  LEU  86           HB2      LEU  86  22.959   2.015   5.054
  623    HB3  LEU  86           HB3      LEU  86  23.068   3.523   5.934
  624    HG   LEU  86           HG       LEU  86  24.299   4.302   3.604
  625   HD11  LEU  86          HD11      LEU  86  23.388   3.216   1.706
  626   HD12  LEU  86          HD12      LEU  86  24.048   1.919   2.690
  627   HD13  LEU  86          HD13      LEU  86  22.306   2.210   2.694
  628   HD21  LEU  86          HD21      LEU  86  22.301   5.338   4.644
  629   HD22  LEU  86          HD22      LEU  86  22.194   5.198   2.885
  630   HD23  LEU  86          HD23      LEU  86  21.293   4.068   3.909
  631    HA   PRO  87           HA       PRO  87  25.961  -0.189   8.718
  632    HB2  PRO  87           HB2      PRO  87  25.766   2.046  10.735
  633    HB3  PRO  87           HB3      PRO  87  26.839   0.616  10.727
  634    HG2  PRO  87           HG2      PRO  87  27.778   3.039   9.940
  635    HG3  PRO  87           HG3      PRO  87  28.220   1.558   9.029
  636    HD2  PRO  87           HD2      PRO  87  26.123   3.627   8.349
  637    HD3  PRO  87           HD3      PRO  87  27.304   2.815   7.276
  638    HA   PRO  88           HA       PRO  88  21.873   0.651  10.991
  639    HB2  PRO  88           HB2      PRO  88  20.156   2.705  10.321
  640    HB3  PRO  88           HB3      PRO  88  21.533   2.890  11.440
  641    HG2  PRO  88           HG2      PRO  88  21.530   3.481   8.448
  642    HG3  PRO  88           HG3      PRO  88  22.008   4.576   9.790
  643    HD2  PRO  88           HD2      PRO  88  23.711   3.163   8.350
  644    HD3  PRO  88           HD3      PRO  88  23.962   3.333  10.120
  645    H    GLU  89           H        GLU  89  19.373   0.628  10.449
  646    HA   GLU  89           HA       GLU  89  18.996  -1.631   8.901
  647    HB2  GLU  89           HB2      GLU  89  16.951   0.417   9.823
  648    HB3  GLU  89           HB3      GLU  89  16.576  -1.239   9.342
  649    HG2  GLU  89           HG2      GLU  89  18.231  -0.384  11.748
  650    HG3  GLU  89           HG3      GLU  89  16.554  -0.898  11.761
  651    H    TRP  90           H        TRP  90  19.329   1.456   7.640
  652    HA   TRP  90           HA       TRP  90  17.649   1.369   5.333
  653    HB2  TRP  90           HB2      TRP  90  20.247   2.823   5.916
  654    HB3  TRP  90           HB3      TRP  90  19.177   3.188   4.579
  655    HD1  TRP  90           HD1      TRP  90  19.598   3.793   8.259
  656    HE1  TRP  90           HE1      TRP  90  18.062   5.559   9.075
  657    HE3  TRP  90           HE3      TRP  90  16.471   3.886   4.234
  658    HZ2  TRP  90           HZ2      TRP  90  15.534   6.810   8.154
  659    HZ3  TRP  90           HZ3      TRP  90  14.437   5.289   4.286
  660    HH2  TRP  90           HH2      TRP  90  13.972   6.760   6.219
  661    H    VAL  91           H        VAL  91  19.873  -0.863   6.146
  662    HA   VAL  91           HA       VAL  91  20.415  -1.448   3.314
  663    HB   VAL  91           HB       VAL  91  22.386  -0.662   4.690
  664   HG11  VAL  91          HG11      VAL  91  21.894  -1.990   6.768
  665   HG12  VAL  91          HG12      VAL  91  22.347  -3.463   5.878
  666   HG13  VAL  91          HG13      VAL  91  23.535  -2.178   6.156
  667   HG21  VAL  91          HG21      VAL  91  22.692  -1.740   2.547
  668   HG22  VAL  91          HG22      VAL  91  23.962  -2.223   3.681
  669   HG23  VAL  91          HG23      VAL  91  22.656  -3.348   3.303
  670    H    THR  92           H        THR  92  18.389  -2.382   5.731
  671    HA   THR  92           HA       THR  92  18.557  -5.249   5.003
  672    HB   THR  92           HB       THR  92  17.919  -5.688   7.405
  673    HG1  THR  92           HG1      THR  92  17.140  -3.759   8.085
  674   HG21  THR  92          HG21      THR  92  20.312  -5.796   6.617
  675   HG22  THR  92          HG22      THR  92  20.517  -4.126   7.199
  676   HG23  THR  92          HG23      THR  92  20.107  -5.419   8.337
  677    H    GLN  93           H        GLN  93  16.870  -3.238   3.781
  678    HA   GLN  93           HA       GLN  93  14.150  -4.185   4.583
  679    HB2  GLN  93           HB2      GLN  93  14.786  -2.000   2.594
  680    HB3  GLN  93           HB3      GLN  93  13.230  -2.395   3.308
  681    HG2  GLN  93           HG2      GLN  93  15.613  -1.149   4.725
  682    HG3  GLN  93           HG3      GLN  93  14.079  -0.385   4.377
  683   HE21  GLN  93          HE22      GLN  93  15.760  -1.456   6.913
  684   HE22  GLN  93          HE21      GLN  93  14.487  -2.128   7.920
  685    H    GLU  94           H        GLU  94  12.759  -4.261   2.285
  686    HA   GLU  94           HA       GLU  94  13.445  -6.726   1.267
  687    HB2  GLU  94           HB2      GLU  94  11.198  -5.260   1.302
  688    HB3  GLU  94           HB3      GLU  94  11.709  -4.874  -0.357
  689    HG2  GLU  94           HG2      GLU  94  11.895  -7.321  -0.815
  690    HG3  GLU  94           HG3      GLU  94  11.405  -7.634   0.854
  691    H    ILE  95           H        ILE  95  14.260  -3.522  -0.055
  692    HA   ILE  95           HA       ILE  95  16.065  -4.866  -2.023
  693    HB   ILE  95           HB       ILE  95  14.063  -2.679  -2.517
  694   HG12  ILE  95          HG12      ILE  95  14.531  -5.490  -3.582
  695   HG13  ILE  95          HG13      ILE  95  13.096  -4.833  -2.784
  696   HG21  ILE  95          HG21      ILE  95  15.114  -2.408  -4.780
  697   HG22  ILE  95          HG22      ILE  95  16.242  -1.975  -3.523
  698   HG23  ILE  95          HG23      ILE  95  16.386  -3.558  -4.323
  699   HD11  ILE  95          HD11      ILE  95  12.774  -3.350  -4.799
  700   HD12  ILE  95          HD12      ILE  95  14.073  -4.297  -5.584
  701   HD13  ILE  95          HD13      ILE  95  12.578  -5.102  -5.077
  702    H    PHE  96           H        PHE  96  18.100  -3.868  -2.067
  703    HA   PHE  96           HA       PHE  96  18.406  -1.193  -1.054
  704    HB2  PHE  96           HB2      PHE  96  19.088  -2.395   0.940
  705    HB3  PHE  96           HB3      PHE  96  20.074  -3.514  -0.017
  706    HD1  PHE  96           HD2      PHE  96  19.677   0.111   0.884
  707    HD2  PHE  96           HD1      PHE  96  22.317  -2.900  -0.742
  708    HE1  PHE  96           HE2      PHE  96  21.426   1.796   0.556
  709    HE2  PHE  96           HE1      PHE  96  24.080  -1.163  -1.053
  710    HZ   PHE  96           HZ       PHE  96  23.649   1.173  -0.333
  711    H    GLU  97           H        GLU  97  19.841  -0.095  -2.380
  712    HA   GLU  97           HA       GLU  97  21.861  -1.529  -3.928
  713    HB2  GLU  97           HB2      GLU  97  19.594   0.086  -5.142
  714    HB3  GLU  97           HB3      GLU  97  21.183   0.050  -5.906
  715    HG2  GLU  97           HG2      GLU  97  21.093  -2.314  -6.222
  716    HG3  GLU  97           HG3      GLU  97  19.568  -2.441  -5.323
  717    H    ASP  98           H        ASP  98  23.541  -0.126  -4.448
  718    HA   ASP  98           HA       ASP  98  23.401   2.648  -3.461
  719    HB2  ASP  98           HB2      ASP  98  25.006   1.519  -2.079
  720    HB3  ASP  98           HB3      ASP  98  25.844   0.894  -3.501
  721    H    TRP  99           H        TRP  99  23.596   4.160  -5.040
  722    HA   TRP  99           HA       TRP  99  24.370   3.300  -7.783
  723    HB2  TRP  99           HB2      TRP  99  22.605   5.596  -6.880
  724    HB3  TRP  99           HB3      TRP  99  22.987   5.190  -8.528
  725    HD1  TRP  99           HD1      TRP  99  22.294   1.890  -7.034
  726    HE1  TRP  99           HE1      TRP  99  19.967   1.118  -7.648
  727    HE3  TRP  99           HE3      TRP  99  20.356   6.382  -8.522
  728    HZ2  TRP  99           HZ2      TRP  99  17.364   2.386  -8.288
  729    HZ3  TRP  99           HZ3      TRP  99  17.941   6.578  -9.034
  730    HH2  TRP  99           HH2      TRP  99  16.471   4.605  -8.883
  731    H    GLN 100           H        GLN 100  26.540   3.492  -7.694
  732    HA   GLN 100           HA       GLN 100  27.963   5.747  -6.636
  733    HB2  GLN 100           HB2      GLN 100  28.836   3.410  -6.834
  734    HB3  GLN 100           HB3      GLN 100  28.849   3.573  -8.591
  735    HG2  GLN 100           HG2      GLN 100  30.448   5.536  -8.307
  736    HG3  GLN 100           HG3      GLN 100  30.505   5.160  -6.582
  737   HE21  GLN 100          HE22      GLN 100  30.900   2.535  -6.261
  738   HE22  GLN 100          HE21      GLN 100  32.268   1.962  -7.175
  739    H    LEU 101           H        LEU 101  27.506   7.733  -7.563
  740    HA   LEU 101           HA       LEU 101  27.881   8.111 -10.476
  741    HB2  LEU 101           HB2      LEU 101  25.590   8.888  -8.627
  742    HB3  LEU 101           HB3      LEU 101  26.021   9.969  -9.916
  743    HG   LEU 101           HG       LEU 101  24.289   8.808 -10.757
  744   HD11  LEU 101          HD11      LEU 101  26.575   7.156 -11.893
  745   HD12  LEU 101          HD12      LEU 101  25.031   7.504 -12.650
  746   HD13  LEU 101          HD13      LEU 101  26.180   8.821 -12.390
  747   HD21  LEU 101          HD21      LEU 101  24.119   7.064  -9.070
  748   HD22  LEU 101          HD22      LEU 101  23.791   6.479 -10.709
  749   HD23  LEU 101          HD23      LEU 101  25.341   6.105  -9.940
  750    H    GLU 102           H        GLU 102  28.319  10.330 -11.047
  751    HA   GLU 102           HA       GLU 102  30.183  11.548  -9.241
  752    HB2  GLU 102           HB2      GLU 102  29.404  12.080 -12.130
  753    HB3  GLU 102           HB3      GLU 102  30.628  13.033 -11.278
  754    HG2  GLU 102           HG2      GLU 102  30.764  10.013 -11.622
  755    HG3  GLU 102           HG3      GLU 102  31.527  11.169 -12.713
  756    H    ASP 103           H        ASP 103  28.514  11.815  -7.799
  757    HA   ASP 103           HA       ASP 103  26.607  13.345  -7.075
  758    HB2  ASP 103           HB2      ASP 103  28.413  12.444  -5.690
  759    HB3  ASP 103           HB3      ASP 103  29.391  13.876  -5.989
  760    HA   PRO 104           HA       PRO 104  27.231  16.675 -10.033
  761    HB2  PRO 104           HB2      PRO 104  24.394  17.255  -9.263
  762    HB3  PRO 104           HB3      PRO 104  25.183  17.249 -10.886
  763    HG2  PRO 104           HG2      PRO 104  23.748  15.110 -10.057
  764    HG3  PRO 104           HG3      PRO 104  25.290  14.925 -10.958
  765    HD2  PRO 104           HD2      PRO 104  24.786  14.617  -8.000
  766    HD3  PRO 104           HD3      PRO 104  25.860  13.666  -9.095
  767    H    ASP 105           H        ASP 105  26.845  17.227  -6.678
  768    HA   ASP 105           HA       ASP 105  26.327  19.998  -6.582
  769    HB2  ASP 105           HB2      ASP 105  26.294  18.407  -4.666
  770    HB3  ASP 105           HB3      ASP 105  28.055  18.408  -4.655
  771    H    GLY 106           H        GLY 106  27.388  21.071  -8.183
  772    HA2  GLY 106           HA2      GLY 106  28.901  22.892  -8.343
  773    HA3  GLY 106           HA3      GLY 106  30.141  21.954  -7.502
  774    H    GLN 107           H        GLN 107  28.393  20.191  -9.997
  775    HA   GLN 107           HA       GLN 107  30.965  19.985 -11.413
  776    HB2  GLN 107           HB2      GLN 107  28.429  18.402 -11.886
  777    HB3  GLN 107           HB3      GLN 107  30.074  17.985 -12.374
  778    HG2  GLN 107           HG2      GLN 107  29.122  18.150  -9.502
  779    HG3  GLN 107           HG3      GLN 107  29.212  16.685 -10.488
  780   HE21  GLN 107          HE22      GLN 107  30.360  16.249  -8.344
  781   HE22  GLN 107          HE21      GLN 107  32.118  16.360  -8.420
  782    H    SER 108           H        SER 108  30.622  19.354 -13.835
  783    HA   SER 108           HA       SER 108  29.780  21.717 -15.305
  784    HB2  SER 108           HB2      SER 108  30.792  18.962 -16.135
  785    HB3  SER 108           HB3      SER 108  30.687  20.385 -17.199
  786    HG   SER 108           HG       SER 108  32.799  20.088 -16.351
  787    H    LEU 109           H        LEU 109  28.123  21.678 -16.987
  788    HA   LEU 109           HA       LEU 109  25.735  20.363 -16.294
  789    HB2  LEU 109           HB2      LEU 109  26.626  21.585 -18.933
  790    HB3  LEU 109           HB3      LEU 109  24.991  20.994 -18.652
  791    HG   LEU 109           HG       LEU 109  26.310  23.184 -16.998
  792   HD11  LEU 109          HD11      LEU 109  25.955  23.893 -19.335
  793   HD12  LEU 109          HD12      LEU 109  24.253  23.391 -19.242
  794   HD13  LEU 109          HD13      LEU 109  24.849  24.735 -18.241
  795   HD21  LEU 109          HD21      LEU 109  24.540  22.058 -15.722
  796   HD22  LEU 109          HD22      LEU 109  23.974  23.643 -16.239
  797   HD23  LEU 109          HD23      LEU 109  23.421  22.189 -17.097
  798    H    GLU 110           H        GLU 110  28.313  19.260 -18.469
  799    HA   GLU 110           HA       GLU 110  26.933  17.066 -19.595
  800    HB2  GLU 110           HB2      GLU 110  29.118  17.952 -20.361
  801    HB3  GLU 110           HB3      GLU 110  29.891  17.323 -18.898
  802    HG2  GLU 110           HG2      GLU 110  29.310  15.014 -19.564
  803    HG3  GLU 110           HG3      GLU 110  28.425  15.621 -20.966
  804    H    VAL 111           H        VAL 111  28.580  17.406 -16.419
  805    HA   VAL 111           HA       VAL 111  28.385  14.592 -15.725
  806    HB   VAL 111           HB       VAL 111  28.781  17.050 -14.008
  807   HG11  VAL 111          HG11      VAL 111  29.009  14.091 -13.359
  808   HG12  VAL 111          HG12      VAL 111  29.719  15.365 -12.353
  809   HG13  VAL 111          HG13      VAL 111  27.968  15.299 -12.570
  810   HG21  VAL 111          HG21      VAL 111  30.793  15.021 -15.086
  811   HG22  VAL 111          HG22      VAL 111  30.644  16.703 -15.625
  812   HG23  VAL 111          HG23      VAL 111  31.168  16.354 -13.976
  813    H    PHE 112           H        PHE 112  26.467  17.582 -15.039
  814    HA   PHE 112           HA       PHE 112  24.433  16.372 -13.504
  815    HB2  PHE 112           HB2      PHE 112  24.525  18.786 -15.316
  816    HB3  PHE 112           HB3      PHE 112  22.990  18.210 -14.724
  817    HD1  PHE 112           HD2      PHE 112  22.343  18.270 -12.385
  818    HD2  PHE 112           HD1      PHE 112  26.165  19.764 -13.729
  819    HE1  PHE 112           HE2      PHE 112  22.703  19.353 -10.182
  820    HE2  PHE 112           HE1      PHE 112  26.519  20.825 -11.522
  821    HZ   PHE 112           HZ       PHE 112  24.836  20.567  -9.748
  822    H    ARG 113           H        ARG 113  24.407  16.892 -17.104
  823    HA   ARG 113           HA       ARG 113  22.073  15.396 -17.566
  824    HB2  ARG 113           HB2      ARG 113  24.488  15.932 -19.347
  825    HB3  ARG 113           HB3      ARG 113  23.045  15.068 -19.913
  826    HG2  ARG 113           HG2      ARG 113  21.610  16.966 -19.321
  827    HG3  ARG 113           HG3      ARG 113  23.007  17.837 -18.671
  828    HD2  ARG 113           HD2      ARG 113  22.380  18.725 -20.826
  829    HD3  ARG 113           HD3      ARG 113  24.006  18.044 -20.847
  830    HE   ARG 113           HE       ARG 113  23.357  16.391 -22.304
  831   HH11  ARG 113          HH11      ARG 113  20.349  18.032 -21.206
  832   HH12  ARG 113          HH12      ARG 113  19.493  17.611 -22.645
  833   HH21  ARG 113          HH21      ARG 113  22.103  15.696 -24.074
  834   HH22  ARG 113          HH22      ARG 113  20.451  16.153 -24.223
  835    H    THR 114           H        THR 114  25.473  14.105 -17.367
  836    HA   THR 114           HA       THR 114  24.753  11.497 -18.158
  837    HB   THR 114           HB       THR 114  26.978  12.488 -16.311
  838    HG1  THR 114           HG1      THR 114  27.156  13.505 -18.257
  839   HG21  THR 114          HG21      THR 114  26.719  10.087 -16.166
  840   HG22  THR 114          HG22      THR 114  26.690   9.952 -17.944
  841   HG23  THR 114          HG23      THR 114  28.174  10.483 -17.102
  842    H    VAL 115           H        VAL 115  25.066  12.970 -14.831
  843    HA   VAL 115           HA       VAL 115  24.270  10.602 -13.505
  844    HB   VAL 115           HB       VAL 115  24.271  13.476 -12.672
  845   HG11  VAL 115          HG11      VAL 115  24.174  12.587 -10.309
  846   HG12  VAL 115          HG12      VAL 115  22.671  12.368 -11.204
  847   HG13  VAL 115          HG13      VAL 115  23.776  10.999 -10.972
  848   HG21  VAL 115          HG21      VAL 115  26.515  12.506 -13.136
  849   HG22  VAL 115          HG22      VAL 115  26.309  12.802 -11.413
  850   HG23  VAL 115          HG23      VAL 115  26.155  11.156 -12.051
  851    H    ARG 116           H        ARG 116  22.293  13.432 -14.663
  852    HA   ARG 116           HA       ARG 116  19.838  12.574 -13.591
  853    HB2  ARG 116           HB2      ARG 116  19.789  14.708 -14.606
  854    HB3  ARG 116           HB3      ARG 116  20.541  14.139 -16.108
  855    HG2  ARG 116           HG2      ARG 116  18.568  12.959 -16.795
  856    HG3  ARG 116           HG3      ARG 116  17.834  13.110 -15.212
  857    HD2  ARG 116           HD2      ARG 116  16.673  14.475 -16.623
  858    HD3  ARG 116           HD3      ARG 116  17.580  15.569 -15.610
  859    HE   ARG 116           HE       ARG 116  18.767  16.323 -17.470
  860   HH11  ARG 116          HH21      ARG 116  16.990  13.373 -18.401
  861   HH12  ARG 116          HH22      ARG 116  17.234  13.604 -20.090
  862   HH21  ARG 116          HH11      ARG 116  18.954  16.689 -19.720
  863   HH22  ARG 116          HH12      ARG 116  18.434  15.474 -20.848
  864    H    GLY 117           H        GLY 117  21.349  11.697 -16.750
  865    HA2  GLY 117           HA2      GLY 117  19.121  10.099 -17.531
  866    HA3  GLY 117           HA3      GLY 117  20.770   9.988 -18.215
  867    H    GLN 118           H        GLN 118  22.206   9.225 -15.897
  868    HA   GLN 118           HA       GLN 118  21.785   6.425 -15.950
  869    HB2  GLN 118           HB2      GLN 118  23.410   8.252 -14.153
  870    HB3  GLN 118           HB3      GLN 118  23.558   6.503 -14.107
  871    HG2  GLN 118           HG2      GLN 118  24.034   8.075 -16.679
  872    HG3  GLN 118           HG3      GLN 118  25.276   7.871 -15.454
  873   HE21  GLN 118          HE22      GLN 118  26.497   6.871 -17.232
  874   HE22  GLN 118          HE21      GLN 118  26.222   5.186 -17.605
  875    H    VAL 119           H        VAL 119  21.214   8.809 -13.336
  876    HA   VAL 119           HA       VAL 119  19.975   7.073 -11.480
  877    HB   VAL 119           HB       VAL 119  19.779  10.081 -11.918
  878   HG11  VAL 119          HG11      VAL 119  17.805   9.347 -10.584
  879   HG12  VAL 119          HG12      VAL 119  18.903   8.566  -9.433
  880   HG13  VAL 119          HG13      VAL 119  18.932  10.325  -9.650
  881   HG21  VAL 119          HG21      VAL 119  21.350  10.193 -10.018
  882   HG22  VAL 119          HG22      VAL 119  21.327   8.423  -9.857
  883   HG23  VAL 119          HG23      VAL 119  22.043   9.178 -11.288
  884    H    LYS 120           H        LYS 120  18.395   9.187 -14.076
  885    HA   LYS 120           HA       LYS 120  15.766   8.488 -13.301
  886    HB2  LYS 120           HB2      LYS 120  16.234  10.331 -14.824
  887    HB3  LYS 120           HB3      LYS 120  16.967   9.230 -16.004
  888    HG2  LYS 120           HG2      LYS 120  14.808   8.130 -16.382
  889    HG3  LYS 120           HG3      LYS 120  14.039   9.166 -15.160
  890    HD2  LYS 120           HD2      LYS 120  14.506  11.155 -16.506
  891    HD3  LYS 120           HD3      LYS 120  15.408  10.204 -17.695
  892    HE2  LYS 120           HE2      LYS 120  12.478   9.744 -17.000
  893    HE3  LYS 120           HE3      LYS 120  13.022  10.790 -18.323
  894    HZ1  LYS 120           HZ1      LYS 120  12.494   8.659 -19.195
  895    HZ2  LYS 120           HZ2      LYS 120  14.112   8.801 -19.288
  896    HZ3  LYS 120           HZ3      LYS 120  13.421   7.850 -18.129
  897    H    GLU 121           H        GLU 121  17.957   6.899 -15.643
  898    HA   GLU 121           HA       GLU 121  16.244   4.823 -16.452
  899    HB2  GLU 121           HB2      GLU 121  18.200   4.914 -17.712
  900    HB3  GLU 121           HB3      GLU 121  19.152   5.466 -16.344
  901    HG2  GLU 121           HG2      GLU 121  20.062   3.459 -17.045
  902    HG3  GLU 121           HG3      GLU 121  19.425   3.326 -15.431
  903    H    ARG 122           H        ARG 122  18.423   5.110 -13.568
  904    HA   ARG 122           HA       ARG 122  17.963   2.367 -12.804
  905    HB2  ARG 122           HB2      ARG 122  19.170   4.749 -11.375
  906    HB3  ARG 122           HB3      ARG 122  18.991   3.151 -10.628
  907    HG2  ARG 122           HG2      ARG 122  20.471   2.082 -12.019
  908    HG3  ARG 122           HG3      ARG 122  20.358   3.314 -13.276
  909    HD2  ARG 122           HD2      ARG 122  21.545   4.941 -11.827
  910    HD3  ARG 122           HD3      ARG 122  21.593   3.748 -10.524
  911    HE   ARG 122           HE       ARG 122  23.452   2.853 -11.440
  912   HH11  ARG 122          HH11      ARG 122  21.691   4.409 -14.118
  913   HH12  ARG 122          HH12      ARG 122  23.008   4.217 -15.247
  914   HH21  ARG 122          HH21      ARG 122  25.136   2.541 -12.993
  915   HH22  ARG 122          HH22      ARG 122  24.927   3.074 -14.618
  916    H    VAL 123           H        VAL 123  16.421   5.474 -11.629
  917    HA   VAL 123           HA       VAL 123  14.606   4.326  -9.890
  918    HB   VAL 123           HB       VAL 123  14.222   6.616 -11.862
  919   HG11  VAL 123          HG11      VAL 123  12.483   7.358 -10.342
  920   HG12  VAL 123          HG12      VAL 123  12.024   5.822 -11.068
  921   HG13  VAL 123          HG13      VAL 123  12.601   5.857  -9.389
  922   HG21  VAL 123          HG21      VAL 123  16.062   7.005 -10.221
  923   HG22  VAL 123          HG22      VAL 123  14.687   8.058  -9.931
  924   HG23  VAL 123          HG23      VAL 123  14.944   6.644  -8.897
  925    H    GLU 124           H        GLU 124  14.226   4.635 -13.529
  926    HA   GLU 124           HA       GLU 124  11.722   3.312 -13.570
  927    HB2  GLU 124           HB2      GLU 124  13.890   3.445 -15.722
  928    HB3  GLU 124           HB3      GLU 124  12.260   2.823 -15.977
  929    HG2  GLU 124           HG2      GLU 124  11.318   5.030 -15.349
  930    HG3  GLU 124           HG3      GLU 124  12.958   5.658 -15.137
  931    H    ASN 125           H        ASN 125  15.011   2.065 -13.702
  932    HA   ASN 125           HA       ASN 125  14.460  -0.657 -14.243
  933    HB2  ASN 125           HB2      ASN 125  16.672   0.751 -14.234
  934    HB3  ASN 125           HB3      ASN 125  16.780   0.328 -12.532
  935   HD21  ASN 125          HD22      ASN 125  18.183  -0.348 -15.276
  936   HD22  ASN 125          HD21      ASN 125  18.438  -2.085 -15.117
  937    H    LEU 126           H        LEU 126  14.864   1.114 -11.188
  938    HA   LEU 126           HA       LEU 126  14.395  -1.076  -9.471
  939    HB2  LEU 126           HB2      LEU 126  14.981   0.250  -7.840
  940    HB3  LEU 126           HB3      LEU 126  15.296   1.459  -9.055
  941    HG   LEU 126           HG       LEU 126  12.847   2.189  -8.718
  942   HD11  LEU 126          HD11      LEU 126  12.030   1.681  -6.346
  943   HD12  LEU 126          HD12      LEU 126  12.020   0.260  -7.386
  944   HD13  LEU 126          HD13      LEU 126  13.333   0.459  -6.253
  945   HD21  LEU 126          HD21      LEU 126  13.413   3.633  -6.904
  946   HD22  LEU 126          HD22      LEU 126  14.681   2.523  -6.344
  947   HD23  LEU 126          HD23      LEU 126  14.876   3.406  -7.869
  948    H    ILE 127           H        ILE 127  12.107   1.419 -10.606
  949    HA   ILE 127           HA       ILE 127   9.781   0.394  -9.407
  950    HB   ILE 127           HB       ILE 127  10.263   1.848 -12.038
  951   HG12  ILE 127          HG12      ILE 127   8.940   2.878  -9.481
  952   HG13  ILE 127          HG13      ILE 127  10.667   3.047  -9.773
  953   HG21  ILE 127          HG21      ILE 127   7.673   0.966 -10.735
  954   HG22  ILE 127          HG22      ILE 127   7.714   2.319 -11.895
  955   HG23  ILE 127          HG23      ILE 127   8.222   0.710 -12.399
  956   HD11  ILE 127          HD11      ILE 127   8.435   4.343 -11.416
  957   HD12  ILE 127          HD12      ILE 127   9.622   5.127 -10.379
  958   HD13  ILE 127          HD13      ILE 127  10.148   4.347 -11.879
  959    H    ALA 128           H        ALA 128  11.474  -0.706 -12.391
  960    HA   ALA 128           HA       ALA 128   9.312  -2.294 -13.323
  961    HB1  ALA 128           HB1      ALA 128  10.949  -3.382 -14.777
  962    HB2  ALA 128           HB2      ALA 128  11.243  -1.634 -14.734
  963    HB3  ALA 128           HB3      ALA 128  12.288  -2.740 -13.812
  964    H    LYS 129           H        LYS 129  11.807  -2.951 -10.935
  965    HA   LYS 129           HA       LYS 129  11.475  -5.771 -10.708
  966    HB2  LYS 129           HB2      LYS 129  12.515  -3.694  -8.780
  967    HB3  LYS 129           HB3      LYS 129  12.695  -5.441  -8.562
  968    HG2  LYS 129           HG2      LYS 129  14.036  -5.598 -10.616
  969    HG3  LYS 129           HG3      LYS 129  13.749  -3.898 -10.968
  970    HD2  LYS 129           HD2      LYS 129  14.835  -3.467  -8.608
  971    HD3  LYS 129           HD3      LYS 129  15.468  -5.118  -8.833
  972    HE2  LYS 129           HE2      LYS 129  16.156  -4.197 -11.222
  973    HE3  LYS 129           HE3      LYS 129  15.903  -2.603 -10.496
  974    HZ1  LYS 129           HZ1      LYS 129  17.628  -3.145  -8.859
  975    HZ2  LYS 129           HZ2      LYS 129  17.811  -4.647  -9.500
  976    HZ3  LYS 129           HZ3      LYS 129  18.211  -3.332 -10.372
  977    H    ILE 130           H        ILE 130   9.949  -2.971  -9.090
  978    HA   ILE 130           HA       ILE 130   8.586  -4.686  -7.199
  979    HB   ILE 130           HB       ILE 130   7.988  -2.415  -6.224
  980   HG12  ILE 130          HG12      ILE 130  10.001  -1.373  -8.146
  981   HG13  ILE 130          HG13      ILE 130   8.283  -0.982  -8.099
  982   HG21  ILE 130          HG21      ILE 130   9.859  -4.021  -5.478
  983   HG22  ILE 130          HG22      ILE 130  10.972  -3.052  -6.466
  984   HG23  ILE 130          HG23      ILE 130  10.153  -2.340  -5.061
  985   HD11  ILE 130          HD11      ILE 130  10.339  -0.314  -5.950
  986   HD12  ILE 130          HD12      ILE 130   9.648   0.802  -7.123
  987   HD13  ILE 130          HD13      ILE 130   8.607   0.054  -5.874
  988    H    SER 131           H        SER 131   7.784  -2.736  -9.913
  989    HA   SER 131           HA       SER 131   5.199  -2.010  -9.714
  990    HB2  SER 131           HB2      SER 131   6.555  -3.308 -12.106
  991    HB3  SER 131           HB3      SER 131   4.972  -2.510 -12.177
  992    HG   SER 131           HG       SER 131   7.475  -1.385 -11.421
  Start of MODEL   20
    1    H    MET   1           H        MET   1   1.543  -1.413  -3.261
    2    HA   MET   1           HA       MET   1   2.426   0.654  -4.016
    3    HB2  MET   1           HB2      MET   1   0.858   2.161  -2.964
    4    HB3  MET   1           HB3      MET   1   1.390   1.704  -1.343
    5    HG2  MET   1           HG2      MET   1   3.488   2.792  -1.593
    6    HG3  MET   1           HG3      MET   1   3.305   2.948  -3.329
    7    HE1  MET   1           HE1      MET   1   0.884   5.932  -3.841
    8    HE2  MET   1           HE2      MET   1   2.104   4.902  -4.606
    9    HE3  MET   1           HE3      MET   1   0.575   4.197  -4.033
   10    H    LYS   2           H        LYS   2   4.620   1.126  -3.657
   11    HA   LYS   2           HA       LYS   2   5.960  -0.225  -1.329
   12    HB2  LYS   2           HB2      LYS   2   6.848  -0.040  -4.248
   13    HB3  LYS   2           HB3      LYS   2   7.873  -0.595  -2.934
   14    HG2  LYS   2           HG2      LYS   2   5.309  -1.949  -3.928
   15    HG3  LYS   2           HG3      LYS   2   6.969  -2.475  -4.190
   16    HD2  LYS   2           HD2      LYS   2   7.141  -2.472  -1.606
   17    HD3  LYS   2           HD3      LYS   2   5.378  -2.552  -1.627
   18    HE2  LYS   2           HE2      LYS   2   5.434  -4.644  -2.873
   19    HE3  LYS   2           HE3      LYS   2   7.172  -4.475  -3.166
   20    HZ1  LYS   2           HZ1      LYS   2   6.791  -6.021  -1.385
   21    HZ2  LYS   2           HZ2      LYS   2   7.553  -4.693  -0.785
   22    HZ3  LYS   2           HZ3      LYS   2   5.946  -4.930  -0.514
   23    H    LYS   3           H        LYS   3   7.522   0.960  -0.330
   24    HA   LYS   3           HA       LYS   3   7.552   3.837  -1.055
   25    HB2  LYS   3           HB2      LYS   3   7.760   2.271   1.501
   26    HB3  LYS   3           HB3      LYS   3   8.645   3.779   1.420
   27    HG2  LYS   3           HG2      LYS   3   6.784   5.105   0.855
   28    HG3  LYS   3           HG3      LYS   3   5.764   3.728   0.431
   29    HD2  LYS   3           HD2      LYS   3   6.695   4.299   3.264
   30    HD3  LYS   3           HD3      LYS   3   5.184   4.919   2.576
   31    HE2  LYS   3           HE2      LYS   3   4.506   2.539   2.039
   32    HE3  LYS   3           HE3      LYS   3   5.950   1.989   2.905
   33    HZ1  LYS   3           HZ1      LYS   3   5.073   3.180   4.874
   34    HZ2  LYS   3           HZ2      LYS   3   3.677   3.477   4.069
   35    HZ3  LYS   3           HZ3      LYS   3   4.108   1.935   4.392
   36    H    VAL   4           H        VAL   4   9.222   4.743  -1.910
   37    HA   VAL   4           HA       VAL   4  11.736   3.190  -2.084
   38    HB   VAL   4           HB       VAL   4  10.642   5.505  -3.755
   39   HG11  VAL   4          HG11      VAL   4  12.258   4.844  -5.452
   40   HG12  VAL   4          HG12      VAL   4  13.097   5.234  -3.954
   41   HG13  VAL   4          HG13      VAL   4  12.875   3.536  -4.418
   42   HG21  VAL   4          HG21      VAL   4  10.463   2.530  -4.394
   43   HG22  VAL   4          HG22      VAL   4   9.115   3.606  -4.023
   44   HG23  VAL   4          HG23      VAL   4  10.067   3.848  -5.489
   45    H    MET   5           H        MET   5  13.568   3.975  -1.314
   46    HA   MET   5           HA       MET   5  13.712   6.792  -0.324
   47    HB2  MET   5           HB2      MET   5  13.606   5.297   1.514
   48    HB3  MET   5           HB3      MET   5  14.733   4.174   0.767
   49    HG2  MET   5           HG2      MET   5  15.814   5.427   2.536
   50    HG3  MET   5           HG3      MET   5  16.543   5.688   0.979
   51    HE1  MET   5           HE1      MET   5  13.820   8.928   2.955
   52    HE2  MET   5           HE2      MET   5  13.218   7.370   2.359
   53    HE3  MET   5           HE3      MET   5  14.251   7.439   3.805
   54    H    PHE   6           H        PHE   6  15.518   8.026  -1.022
   55    HA   PHE   6           HA       PHE   6  17.685   6.556  -2.444
   56    HB2  PHE   6           HB2      PHE   6  16.739   9.324  -2.965
   57    HB3  PHE   6           HB3      PHE   6  18.117   8.544  -3.716
   58    HD1  PHE   6           HD2      PHE   6  17.821   6.668  -5.313
   59    HD2  PHE   6           HD1      PHE   6  14.444   8.800  -3.648
   60    HE1  PHE   6           HE2      PHE   6  16.330   5.683  -7.070
   61    HE2  PHE   6           HE1      PHE   6  13.014   7.772  -5.443
   62    HZ   PHE   6           HZ       PHE   6  13.924   6.241  -7.077
   63    H    VAL   7           H        VAL   7  19.789   6.918  -1.397
   64    HA   VAL   7           HA       VAL   7  19.876   9.046   0.718
   65    HB   VAL   7           HB       VAL   7  21.074   6.260   1.001
   66   HG11  VAL   7          HG11      VAL   7  20.432   8.375   3.097
   67   HG12  VAL   7          HG12      VAL   7  21.249   6.813   3.345
   68   HG13  VAL   7          HG13      VAL   7  22.051   8.068   2.415
   69   HG21  VAL   7          HG21      VAL   7  18.742   5.820   0.887
   70   HG22  VAL   7          HG22      VAL   7  19.218   5.747   2.582
   71   HG23  VAL   7          HG23      VAL   7  18.367   7.187   1.981
   72    H    CYS   8           H        CYS   8  21.608  10.451   0.317
   73    HA   CYS   8           HA       CYS   8  23.966   9.311  -1.137
   74    HB2  CYS   8           HB2      CYS   8  22.711  10.825  -2.619
   75    HB3  CYS   8           HB3      CYS   8  22.723  12.089  -1.413
   76    HG   CYS   8           HG       CYS   8  24.264  12.804  -3.349
   77    H    LYS   9           H        LYS   9  25.950  10.464  -0.846
   78    HA   LYS   9           HA       LYS   9  26.751  10.652   1.868
   79    HB2  LYS   9           HB2      LYS   9  27.948  10.482  -0.673
   80    HB3  LYS   9           HB3      LYS   9  28.433  12.083  -0.116
   81    HG2  LYS   9           HG2      LYS   9  29.410  11.105   1.911
   82    HG3  LYS   9           HG3      LYS   9  28.755   9.504   1.486
   83    HD2  LYS   9           HD2      LYS   9  30.108   9.398  -0.525
   84    HD3  LYS   9           HD3      LYS   9  30.764  11.016  -0.244
   85    HE2  LYS   9           HE2      LYS   9  31.129   8.633   1.636
   86    HE3  LYS   9           HE3      LYS   9  32.289   9.108   0.391
   87    HZ1  LYS   9           HZ1      LYS   9  32.918  10.002   2.527
   88    HZ2  LYS   9           HZ2      LYS   9  32.559  11.234   1.527
   89    HZ3  LYS   9           HZ3      LYS   9  31.507  10.794   2.701
   90    H    ARG  10           H        ARG  10  25.299  13.067  -0.237
   91    HA   ARG  10           HA       ARG  10  25.457  15.026   2.014
   92    HB2  ARG  10           HB2      ARG  10  25.835  16.827   0.447
   93    HB3  ARG  10           HB3      ARG  10  27.111  15.619   0.265
   94    HG2  ARG  10           HG2      ARG  10  26.044  14.780  -1.821
   95    HG3  ARG  10           HG3      ARG  10  24.673  15.859  -1.563
   96    HD2  ARG  10           HD2      ARG  10  25.841  17.072  -3.079
   97    HD3  ARG  10           HD3      ARG  10  26.455  17.790  -1.605
   98    HE   ARG  10           HE       ARG  10  27.820  16.016  -3.546
   99   HH11  ARG  10          HH21      ARG  10  28.138  17.850  -0.495
  100   HH12  ARG  10          HH22      ARG  10  29.858  17.755  -0.470
  101   HH21  ARG  10          HH11      ARG  10  30.051  15.867  -3.488
  102   HH22  ARG  10          HH12      ARG  10  30.988  16.623  -2.228
  103    H    ASN  11           H        ASN  11  23.285  13.250   0.306
  104    HA   ASN  11           HA       ASN  11  21.120  13.332  -0.336
  105    HB2  ASN  11           HB2      ASN  11  20.549  14.051   1.899
  106    HB3  ASN  11           HB3      ASN  11  20.941  15.719   1.523
  107   HD21  ASN  11          HD22      ASN  11  18.815  13.113   0.055
  108   HD22  ASN  11          HD21      ASN  11  17.544  14.284  -0.336
  109    H    SER  12           H        SER  12  22.311  16.720  -0.396
  110    HA   SER  12           HA       SER  12  20.691  18.072  -1.850
  111    HB2  SER  12           HB2      SER  12  23.713  18.101  -2.112
  112    HB3  SER  12           HB3      SER  12  22.648  19.455  -2.520
  113    HG   SER  12           HG       SER  12  22.320  19.858  -0.538
  114    H    CYS  13           H        CYS  13  22.335  15.523  -3.608
  115    HA   CYS  13           HA       CYS  13  21.700  16.898  -6.187
  116    HB2  CYS  13           HB2      CYS  13  23.926  16.004  -7.004
  117    HB3  CYS  13           HB3      CYS  13  24.019  17.313  -5.824
  118    HG   CYS  13           HG       CYS  13  25.966  15.576  -5.301
  119    H    ARG  14           H        ARG  14  23.265  13.767  -5.499
  120    HA   ARG  14           HA       ARG  14  22.098  12.473  -7.620
  121    HB2  ARG  14           HB2      ARG  14  23.010  11.201  -5.025
  122    HB3  ARG  14           HB3      ARG  14  22.650  10.312  -6.506
  123    HG2  ARG  14           HG2      ARG  14  24.530  11.415  -7.667
  124    HG3  ARG  14           HG3      ARG  14  24.895  12.357  -6.195
  125    HD2  ARG  14           HD2      ARG  14  25.105  10.250  -4.924
  126    HD3  ARG  14           HD3      ARG  14  24.838   9.314  -6.390
  127    HE   ARG  14           HE       ARG  14  26.969  10.236  -7.271
  128   HH11  ARG  14          HH11      ARG  14  26.480   9.926  -3.769
  129   HH12  ARG  14          HH12      ARG  14  28.164   9.671  -3.434
  130   HH21  ARG  14          HH21      ARG  14  29.143   9.679  -6.803
  131   HH22  ARG  14          HH22      ARG  14  29.712   9.680  -5.165
  132    H    SER  15           H        SER  15  21.003  12.327  -4.134
  133    HA   SER  15           HA       SER  15  18.823  10.608  -4.579
  134    HB2  SER  15           HB2      SER  15  18.752  12.589  -2.330
  135    HB3  SER  15           HB3      SER  15  18.407  10.849  -2.351
  136    HG   SER  15           HG       SER  15  20.253  11.194  -1.245
  137    H    GLN  16           H        GLN  16  19.007  14.225  -4.446
  138    HA   GLN  16           HA       GLN  16  16.164  14.563  -4.158
  139    HB2  GLN  16           HB2      GLN  16  18.362  16.495  -5.022
  140    HB3  GLN  16           HB3      GLN  16  16.685  16.971  -4.756
  141    HG2  GLN  16           HG2      GLN  16  18.490  15.733  -2.645
  142    HG3  GLN  16           HG3      GLN  16  18.126  17.444  -2.793
  143   HE21  GLN  16          HE22      GLN  16  15.752  18.076  -2.553
  144   HE22  GLN  16          HE21      GLN  16  14.831  17.171  -1.377
  145    H    MET  17           H        MET  17  18.306  14.629  -7.045
  146    HA   MET  17           HA       MET  17  16.183  15.192  -8.914
  147    HB2  MET  17           HB2      MET  17  18.842  13.734  -9.218
  148    HB3  MET  17           HB3      MET  17  17.720  14.076 -10.543
  149    HG2  MET  17           HG2      MET  17  17.805  16.513  -9.857
  150    HG3  MET  17           HG3      MET  17  19.220  16.105  -8.879
  151    HE1  MET  17           HE1      MET  17  21.910  15.276 -11.537
  152    HE2  MET  17           HE2      MET  17  21.583  15.743  -9.851
  153    HE3  MET  17           HE3      MET  17  20.976  14.190 -10.482
  154    H    ALA  18           H        ALA  18  17.548  12.100  -7.611
  155    HA   ALA  18           HA       ALA  18  15.920  10.377  -9.113
  156    HB1  ALA  18           HB1      ALA  18  16.428   8.715  -7.497
  157    HB2  ALA  18           HB2      ALA  18  17.867   9.743  -7.589
  158    HB3  ALA  18           HB3      ALA  18  16.743   9.907  -6.225
  159    H    GLU  19           H        GLU  19  15.197  12.173  -6.146
  160    HA   GLU  19           HA       GLU  19  12.732  10.901  -5.509
  161    HB2  GLU  19           HB2      GLU  19  14.194  12.893  -4.273
  162    HB3  GLU  19           HB3      GLU  19  12.931  13.856  -4.981
  163    HG2  GLU  19           HG2      GLU  19  11.253  12.144  -4.008
  164    HG3  GLU  19           HG3      GLU  19  12.604  11.528  -3.058
  165    H    GLY  20           H        GLY  20  13.392  13.918  -7.300
  166    HA2  GLY  20           HA2      GLY  20  10.737  14.559  -7.981
  167    HA3  GLY  20           HA3      GLY  20  12.188  15.103  -8.829
  168    H    PHE  21           H        PHE  21  13.155  12.540  -9.818
  169    HA   PHE  21           HA       PHE  21  11.375  12.175 -12.060
  170    HB2  PHE  21           HB2      PHE  21  13.582  10.294 -11.164
  171    HB3  PHE  21           HB3      PHE  21  12.799  10.321 -12.734
  172    HD1  PHE  21           HD2      PHE  21  12.878  13.103 -13.666
  173    HD2  PHE  21           HD1      PHE  21  15.790  10.882 -11.412
  174    HE1  PHE  21           HE2      PHE  21  14.591  14.809 -14.179
  175    HE2  PHE  21           HE1      PHE  21  17.549  12.479 -12.107
  176    HZ   PHE  21           HZ       PHE  21  16.935  14.502 -13.410
  177    H    ALA  22           H        ALA  22  12.120  10.148  -9.164
  178    HA   ALA  22           HA       ALA  22  10.472   7.985  -9.789
  179    HB1  ALA  22           HB1      ALA  22  12.164   7.935  -7.997
  180    HB2  ALA  22           HB2      ALA  22  11.226   9.133  -7.095
  181    HB3  ALA  22           HB3      ALA  22  10.572   7.495  -7.340
  182    H    LYS  23           H        LYS  23   9.486  10.983  -7.964
  183    HA   LYS  23           HA       LYS  23   6.872   9.849  -7.625
  184    HB2  LYS  23           HB2      LYS  23   6.072  12.015  -6.938
  185    HB3  LYS  23           HB3      LYS  23   7.527  11.540  -6.105
  186    HG2  LYS  23           HG2      LYS  23   8.798  13.086  -7.745
  187    HG3  LYS  23           HG3      LYS  23   7.203  13.651  -8.262
  188    HD2  LYS  23           HD2      LYS  23   7.929  15.169  -6.554
  189    HD3  LYS  23           HD3      LYS  23   6.698  14.119  -5.789
  190    HE2  LYS  23           HE2      LYS  23   8.347  12.787  -4.719
  191    HE3  LYS  23           HE3      LYS  23   9.669  13.554  -5.619
  192    HZ1  LYS  23           HZ1      LYS  23   8.009  14.855  -3.529
  193    HZ2  LYS  23           HZ2      LYS  23   9.627  14.523  -3.461
  194    HZ3  LYS  23           HZ3      LYS  23   9.105  15.662  -4.459
  195    H    THR  24           H        THR  24   8.383  11.635 -10.345
  196    HA   THR  24           HA       THR  24   5.784  12.243 -11.426
  197    HB   THR  24           HB       THR  24   8.586  12.023 -12.730
  198    HG1  THR  24           HG1      THR  24   8.705  13.602 -11.207
  199   HG21  THR  24          HG21      THR  24   6.885  12.000 -14.422
  200   HG22  THR  24          HG22      THR  24   6.059  13.400 -13.686
  201   HG23  THR  24          HG23      THR  24   7.674  13.589 -14.428
  202    H    LEU  25           H        LEU  25   8.232   9.726 -11.818
  203    HA   LEU  25           HA       LEU  25   6.991   8.345 -13.976
  204    HB2  LEU  25           HB2      LEU  25   9.079   7.541 -11.920
  205    HB3  LEU  25           HB3      LEU  25   8.692   6.587 -13.351
  206    HG   LEU  25           HG       LEU  25   9.743   9.461 -13.494
  207   HD11  LEU  25          HD11      LEU  25  11.914   8.335 -14.047
  208   HD12  LEU  25          HD12      LEU  25  11.352   8.116 -12.380
  209   HD13  LEU  25          HD13      LEU  25  11.187   6.786 -13.544
  210   HD21  LEU  25          HD21      LEU  25   9.502   7.239 -15.576
  211   HD22  LEU  25          HD22      LEU  25   8.549   8.738 -15.519
  212   HD23  LEU  25          HD23      LEU  25  10.289   8.815 -15.827
  213    H    GLY  26           H        GLY  26   7.040   7.874 -10.477
  214    HA2  GLY  26           HA2      GLY  26   5.082   5.633 -10.750
  215    HA3  GLY  26           HA3      GLY  26   6.439   5.708  -9.646
  216    H    ALA  27           H        ALA  27   5.085   8.801  -9.256
  217    HA   ALA  27           HA       ALA  27   3.727   8.123  -6.865
  218    HB1  ALA  27           HB1      ALA  27   2.746  10.411  -6.984
  219    HB2  ALA  27           HB2      ALA  27   4.494  10.417  -7.246
  220    HB3  ALA  27           HB3      ALA  27   3.392  10.605  -8.631
  221    H    GLY  28           H        GLY  28   2.036   6.843  -6.701
  222    HA2  GLY  28           HA2      GLY  28  -0.481   6.753  -7.405
  223    HA3  GLY  28           HA3      GLY  28   0.207   6.454  -9.010
  224    H    LYS  29           H        LYS  29   2.532   4.940  -7.913
  225    HA   LYS  29           HA       LYS  29   1.285   2.650  -6.535
  226    HB2  LYS  29           HB2      LYS  29   2.673   1.058  -7.983
  227    HB3  LYS  29           HB3      LYS  29   1.110   1.644  -8.512
  228    HG2  LYS  29           HG2      LYS  29   2.529   1.500 -10.378
  229    HG3  LYS  29           HG3      LYS  29   2.159   3.198 -10.085
  230    HD2  LYS  29           HD2      LYS  29   4.411   3.606  -9.280
  231    HD3  LYS  29           HD3      LYS  29   4.766   1.881  -9.208
  232    HE2  LYS  29           HE2      LYS  29   5.784   3.024 -11.169
  233    HE3  LYS  29           HE3      LYS  29   4.793   1.624 -11.546
  234    HZ1  LYS  29           HZ1      LYS  29   3.038   3.097 -12.294
  235    HZ2  LYS  29           HZ2      LYS  29   3.888   4.438 -11.885
  236    HZ3  LYS  29           HZ3      LYS  29   4.412   3.461 -13.075
  237    H    ILE  30           H        ILE  30   3.970   4.790  -6.848
  238    HA   ILE  30           HA       ILE  30   5.036   3.430  -4.452
  239    HB   ILE  30           HB       ILE  30   7.267   4.273  -5.022
  240   HG12  ILE  30          HG12      ILE  30   6.445   4.527  -7.906
  241   HG13  ILE  30          HG13      ILE  30   6.404   5.935  -6.836
  242   HG21  ILE  30          HG21      ILE  30   7.829   2.469  -6.603
  243   HG22  ILE  30          HG22      ILE  30   6.711   1.939  -5.345
  244   HG23  ILE  30          HG23      ILE  30   6.110   2.246  -6.991
  245   HD11  ILE  30          HD11      ILE  30   8.785   5.716  -6.345
  246   HD12  ILE  30          HD12      ILE  30   8.910   4.301  -7.444
  247   HD13  ILE  30          HD13      ILE  30   8.495   5.892  -8.082
  248    H    ALA  31           H        ALA  31   5.911   4.806  -2.906
  249    HA   ALA  31           HA       ALA  31   5.363   7.731  -3.209
  250    HB1  ALA  31           HB1      ALA  31   5.245   5.915  -0.750
  251    HB2  ALA  31           HB2      ALA  31   5.195   7.691  -0.695
  252    HB3  ALA  31           HB3      ALA  31   3.887   6.795  -1.490
  253    H    VAL  32           H        VAL  32   7.267   8.925  -3.029
  254    HA   VAL  32           HA       VAL  32   9.716   7.402  -2.339
  255    HB   VAL  32           HB       VAL  32   9.437   7.910  -4.658
  256   HG11  VAL  32          HG11      VAL  32   7.953   9.765  -4.755
  257   HG12  VAL  32          HG12      VAL  32   9.137  10.827  -3.940
  258   HG13  VAL  32          HG13      VAL  32   9.452  10.192  -5.567
  259   HG21  VAL  32          HG21      VAL  32  11.519   9.140  -5.040
  260   HG22  VAL  32          HG22      VAL  32  11.529   9.710  -3.399
  261   HG23  VAL  32          HG23      VAL  32  11.688   7.974  -3.699
  262    H    THR  33           H        THR  33  11.345   8.312  -1.139
  263    HA   THR  33           HA       THR  33  11.161  11.129  -0.447
  264    HB   THR  33           HB       THR  33  11.839   8.974   1.588
  265    HG1  THR  33           HG1      THR  33   9.362  10.167   1.032
  266   HG21  THR  33          HG21      THR  33  11.214  11.935   1.950
  267   HG22  THR  33          HG22      THR  33  11.495  10.765   3.262
  268   HG23  THR  33          HG23      THR  33  12.799  11.152   2.145
  269    H    SER  34           H        SER  34  13.308  11.992  -0.422
  270    HA   SER  34           HA       SER  34  15.545  10.042  -0.554
  271    HB2  SER  34           HB2      SER  34  15.256  12.821  -1.739
  272    HB3  SER  34           HB3      SER  34  16.705  11.793  -1.763
  273    HG   SER  34           HG       SER  34  15.610  11.467  -3.677
  274    H    CYS  35           H        CYS  35  17.498  10.629   0.480
  275    HA   CYS  35           HA       CYS  35  17.427  12.562   2.682
  276    HB2  CYS  35           HB2      CYS  35  17.377   9.520   2.899
  277    HB3  CYS  35           HB3      CYS  35  18.096  10.502   4.173
  278    HG   CYS  35           HG       CYS  35  15.187  11.345   2.968
  279    H    GLY  36           H        GLY  36  19.693  11.789   3.966
  280    HA2  GLY  36           HA2      GLY  36  21.645  10.564   2.299
  281    HA3  GLY  36           HA3      GLY  36  21.935  12.313   2.422
  282    H    LEU  37           H        LEU  37  23.799  10.637   3.341
  283    HA   LEU  37           HA       LEU  37  23.699   9.765   6.016
  284    HB2  LEU  37           HB2      LEU  37  26.083  11.056   4.622
  285    HB3  LEU  37           HB3      LEU  37  26.147  10.049   6.063
  286    HG   LEU  37           HG       LEU  37  25.395   9.155   3.254
  287   HD11  LEU  37          HD11      LEU  37  27.738   8.375   5.041
  288   HD12  LEU  37          HD12      LEU  37  27.454   7.862   3.364
  289   HD13  LEU  37          HD13      LEU  37  27.823   9.558   3.726
  290   HD21  LEU  37          HD21      LEU  37  25.374   6.851   4.196
  291   HD22  LEU  37          HD22      LEU  37  25.449   7.533   5.835
  292   HD23  LEU  37          HD23      LEU  37  24.039   7.841   4.793
  293    H    GLU  38           H        GLU  38  24.194  13.002   4.731
  294    HA   GLU  38           HA       GLU  38  23.282  14.189   7.197
  295    HB2  GLU  38           HB2      GLU  38  25.821  14.104   7.423
  296    HB3  GLU  38           HB3      GLU  38  25.923  15.116   5.973
  297    HG2  GLU  38           HG2      GLU  38  24.693  16.916   7.130
  298    HG3  GLU  38           HG3      GLU  38  24.452  15.877   8.535
  299    H    SER  39           H        SER  39  22.357  16.277   6.651
  300    HA   SER  39           HA       SER  39  21.599  16.518   3.828
  301    HB2  SER  39           HB2      SER  39  20.091  18.334   4.898
  302    HB3  SER  39           HB3      SER  39  19.787  16.642   5.303
  303    HG   SER  39           HG       SER  39  19.823  18.102   7.133
  304    H    SER  40           H        SER  40  21.471  18.679   2.867
  305    HA   SER  40           HA       SER  40  22.863  20.970   3.807
  306    HB2  SER  40           HB2      SER  40  24.053  19.328   1.524
  307    HB3  SER  40           HB3      SER  40  24.334  21.074   1.682
  308    HG   SER  40           HG       SER  40  24.734  19.352   3.867
  309    H    ARG  41           H        ARG  41  22.508  22.682   1.786
  310    HA   ARG  41           HA       ARG  41  19.698  22.617   1.240
  311    HB2  ARG  41           HB2      ARG  41  21.951  24.262  -0.009
  312    HB3  ARG  41           HB3      ARG  41  20.230  24.534  -0.302
  313    HG2  ARG  41           HG2      ARG  41  19.865  24.966   2.114
  314    HG3  ARG  41           HG3      ARG  41  21.599  24.733   2.418
  315    HD2  ARG  41           HD2      ARG  41  22.122  26.611   0.891
  316    HD3  ARG  41           HD3      ARG  41  20.387  26.854   0.598
  317    HE   ARG  41           HE       ARG  41  20.809  26.930   3.387
  318   HH11  ARG  41          HH21      ARG  41  21.653  28.877   0.541
  319   HH12  ARG  41          HH22      ARG  41  21.736  30.366   1.405
  320   HH21  ARG  41          HH11      ARG  41  20.921  28.914   4.544
  321   HH22  ARG  41          HH12      ARG  41  21.309  30.383   3.734
  322    H    VAL  42           H        VAL  42  18.632  22.361  -0.814
  323    HA   VAL  42           HA       VAL  42  19.555  20.221  -2.494
  324    HB   VAL  42           HB       VAL  42  17.511  22.392  -3.160
  325   HG11  VAL  42          HG11      VAL  42  17.921  19.598  -4.337
  326   HG12  VAL  42          HG12      VAL  42  16.593  20.714  -4.741
  327   HG13  VAL  42          HG13      VAL  42  18.259  21.133  -5.150
  328   HG21  VAL  42          HG21      VAL  42  17.119  19.681  -1.825
  329   HG22  VAL  42          HG22      VAL  42  16.794  21.277  -1.121
  330   HG23  VAL  42          HG23      VAL  42  15.803  20.706  -2.464
  331    H    HIS  43           H        HIS  43  20.913  20.279  -4.311
  332    HA   HIS  43           HA       HIS  43  22.469  22.635  -4.745
  333    HB2  HIS  43           HB2      HIS  43  23.351  20.339  -5.003
  334    HB3  HIS  43           HB3      HIS  43  22.180  20.030  -6.302
  335    HD1  HIS  43           HD1      HIS  43  25.662  21.545  -5.844
  336    HD2  HIS  43           HD2      HIS  43  22.427  21.546  -8.519
  337    HE1  HIS  43           HE1      HIS  43  26.460  22.620  -8.053
  338    HA   PRO  44           HA       PRO  44  19.535  24.545  -7.422
  339    HB2  PRO  44           HB2      PRO  44  20.956  26.547  -8.630
  340    HB3  PRO  44           HB3      PRO  44  20.631  26.521  -6.871
  341    HG2  PRO  44           HG2      PRO  44  23.149  25.647  -8.314
  342    HG3  PRO  44           HG3      PRO  44  23.004  26.662  -6.846
  343    HD2  PRO  44           HD2      PRO  44  23.519  23.954  -6.795
  344    HD3  PRO  44           HD3      PRO  44  22.631  24.792  -5.482
  345    H    THR  45           H        THR  45  22.570  23.757  -9.326
  346    HA   THR  45           HA       THR  45  21.265  23.868 -11.802
  347    HB   THR  45           HB       THR  45  23.504  21.989 -10.956
  348    HG1  THR  45           HG1      THR  45  24.437  23.640 -10.266
  349   HG21  THR  45          HG21      THR  45  22.995  21.665 -13.280
  350   HG22  THR  45          HG22      THR  45  23.208  23.409 -13.603
  351   HG23  THR  45          HG23      THR  45  24.585  22.394 -13.050
  352    H    ALA  46           H        ALA  46  20.882  21.506  -9.325
  353    HA   ALA  46           HA       ALA  46  20.104  19.168 -10.757
  354    HB1  ALA  46           HB1      ALA  46  18.797  20.291  -8.250
  355    HB2  ALA  46           HB2      ALA  46  19.068  18.594  -8.679
  356    HB3  ALA  46           HB3      ALA  46  20.476  19.588  -8.216
  357    H    ILE  47           H        ILE  47  18.449  22.251  -9.873
  358    HA   ILE  47           HA       ILE  47  15.844  21.523 -10.424
  359    HB   ILE  47           HB       ILE  47  17.333  24.166 -10.724
  360   HG12  ILE  47          HG12      ILE  47  15.543  23.348  -8.401
  361   HG13  ILE  47          HG13      ILE  47  17.261  22.996  -8.383
  362   HG21  ILE  47          HG21      ILE  47  15.311  24.289 -12.000
  363   HG22  ILE  47          HG22      ILE  47  14.367  23.674 -10.630
  364   HG23  ILE  47          HG23      ILE  47  15.157  25.272 -10.557
  365   HD11  ILE  47          HD11      ILE  47  16.085  25.789  -8.571
  366   HD12  ILE  47          HD12      ILE  47  16.874  25.042  -7.177
  367   HD13  ILE  47          HD13      ILE  47  17.807  25.386  -8.666
  368    H    ALA  48           H        ALA  48  18.473  22.892 -12.434
  369    HA   ALA  48           HA       ALA  48  17.008  23.353 -14.739
  370    HB1  ALA  48           HB1      ALA  48  19.170  23.593 -15.856
  371    HB2  ALA  48           HB2      ALA  48  19.238  24.341 -14.244
  372    HB3  ALA  48           HB3      ALA  48  19.987  22.752 -14.527
  373    H    MET  49           H        MET  49  18.824  20.476 -13.733
  374    HA   MET  49           HA       MET  49  18.562  18.939 -16.132
  375    HB2  MET  49           HB2      MET  49  18.741  18.143 -13.192
  376    HB3  MET  49           HB3      MET  49  18.709  16.961 -14.491
  377    HG2  MET  49           HG2      MET  49  20.753  19.160 -14.173
  378    HG3  MET  49           HG3      MET  49  20.958  17.445 -13.795
  379    HE1  MET  49           HE1      MET  49  21.122  20.074 -16.973
  380    HE2  MET  49           HE2      MET  49  22.327  19.764 -15.707
  381    HE3  MET  49           HE3      MET  49  22.609  19.153 -17.343
  382    H    MET  50           H        MET  50  16.466  19.213 -13.279
  383    HA   MET  50           HA       MET  50  14.580  17.255 -14.264
  384    HB2  MET  50           HB2      MET  50  14.443  19.297 -11.999
  385    HB3  MET  50           HB3      MET  50  13.221  18.065 -12.336
  386    HG2  MET  50           HG2      MET  50  15.520  16.530 -12.425
  387    HG3  MET  50           HG3      MET  50  16.014  17.753 -11.291
  388    HE1  MET  50           HE1      MET  50  13.156  15.761 -12.457
  389    HE2  MET  50           HE2      MET  50  13.364  14.392 -11.348
  390    HE3  MET  50           HE3      MET  50  12.101  15.602 -11.033
  391    H    GLU  51           H        GLU  51  14.865  20.816 -14.430
  392    HA   GLU  51           HA       GLU  51  12.414  21.257 -15.795
  393    HB2  GLU  51           HB2      GLU  51  15.078  22.680 -15.672
  394    HB3  GLU  51           HB3      GLU  51  13.812  23.241 -16.770
  395    HG2  GLU  51           HG2      GLU  51  12.238  23.374 -14.810
  396    HG3  GLU  51           HG3      GLU  51  13.593  23.024 -13.737
  397    H    GLU  52           H        GLU  52  15.518  19.955 -16.981
  398    HA   GLU  52           HA       GLU  52  14.827  20.188 -19.733
  399    HB2  GLU  52           HB2      GLU  52  16.585  17.976 -18.624
  400    HB3  GLU  52           HB3      GLU  52  16.501  18.579 -20.271
  401    HG2  GLU  52           HG2      GLU  52  17.180  20.895 -19.097
  402    HG3  GLU  52           HG3      GLU  52  17.815  19.786 -17.878
  403    H    VAL  53           H        VAL  53  14.057  17.768 -17.248
  404    HA   VAL  53           HA       VAL  53  12.673  16.038 -19.187
  405    HB   VAL  53           HB       VAL  53  12.542  15.995 -16.149
  406   HG11  VAL  53          HG11      VAL  53  11.994  13.578 -16.475
  407   HG12  VAL  53          HG12      VAL  53  10.758  14.627 -17.167
  408   HG13  VAL  53          HG13      VAL  53  11.943  13.838 -18.232
  409   HG21  VAL  53          HG21      VAL  53  14.458  14.644 -18.091
  410   HG22  VAL  53          HG22      VAL  53  14.849  15.762 -16.761
  411   HG23  VAL  53          HG23      VAL  53  14.254  14.136 -16.404
  412    H    GLY  54           H        GLY  54  11.842  18.806 -17.195
  413    HA2  GLY  54           HA2      GLY  54   9.890  20.135 -17.623
  414    HA3  GLY  54           HA3      GLY  54   8.995  18.692 -18.118
  415    H    ILE  55           H        ILE  55  11.131  18.810 -15.295
  416    HA   ILE  55           HA       ILE  55   8.816  18.793 -13.411
  417    HB   ILE  55           HB       ILE  55  11.330  17.122 -13.157
  418   HG12  ILE  55          HG12      ILE  55   8.648  15.819 -13.695
  419   HG13  ILE  55          HG13      ILE  55   9.609  16.361 -15.059
  420   HG21  ILE  55          HG21      ILE  55  10.451  17.391 -10.949
  421   HG22  ILE  55          HG22      ILE  55   8.763  17.261 -11.521
  422   HG23  ILE  55          HG23      ILE  55   9.811  15.848 -11.451
  423   HD11  ILE  55          HD11      ILE  55  10.609  14.418 -12.968
  424   HD12  ILE  55          HD12      ILE  55  10.152  14.073 -14.648
  425   HD13  ILE  55          HD13      ILE  55  11.549  15.118 -14.307
  426    H    ASP  56           H        ASP  56  10.125  19.159 -11.034
  427    HA   ASP  56           HA       ASP  56  12.169  21.270 -11.291
  428    HB2  ASP  56           HB2      ASP  56  10.127  22.572 -11.451
  429    HB3  ASP  56           HB3      ASP  56   9.371  21.644 -10.145
  430    H    ILE  57           H        ILE  57  13.152  21.685  -9.216
  431    HA   ILE  57           HA       ILE  57  12.323  19.967  -6.978
  432    HB   ILE  57           HB       ILE  57  15.193  20.451  -6.967
  433   HG12  ILE  57          HG12      ILE  57  14.174  18.444  -8.972
  434   HG13  ILE  57          HG13      ILE  57  15.084  19.897  -9.355
  435   HG21  ILE  57          HG21      ILE  57  15.179  18.152  -6.040
  436   HG22  ILE  57          HG22      ILE  57  13.956  19.144  -5.296
  437   HG23  ILE  57          HG23      ILE  57  13.490  17.956  -6.560
  438   HD11  ILE  57          HD11      ILE  57  16.062  17.416  -7.967
  439   HD12  ILE  57          HD12      ILE  57  16.756  18.307  -9.337
  440   HD13  ILE  57          HD13      ILE  57  16.873  18.973  -7.694
  441    H    SER  58           H        SER  58  13.369  23.112  -8.080
  442    HA   SER  58           HA       SER  58  14.153  24.494  -5.883
  443    HB2  SER  58           HB2      SER  58  11.827  25.568  -7.482
  444    HB3  SER  58           HB3      SER  58  13.265  26.409  -6.883
  445    HG   SER  58           HG       SER  58  12.910  24.657  -9.066
  446    H    GLY  59           H        GLY  59  10.844  23.315  -6.526
  447    HA2  GLY  59           HA2      GLY  59   9.558  24.791  -4.429
  448    HA3  GLY  59           HA3      GLY  59   8.866  23.508  -5.431
  449    H    GLN  60           H        GLN  60  11.512  21.984  -4.130
  450    HA   GLN  60           HA       GLN  60  10.197  21.265  -1.610
  451    HB2  GLN  60           HB2      GLN  60  10.613  18.945  -2.037
  452    HB3  GLN  60           HB3      GLN  60   9.676  19.651  -3.367
  453    HG2  GLN  60           HG2      GLN  60  11.613  19.627  -4.835
  454    HG3  GLN  60           HG3      GLN  60  12.662  19.129  -3.500
  455   HE21  GLN  60          HE22      GLN  60  13.336  17.084  -4.299
  456   HE22  GLN  60          HE21      GLN  60  12.186  15.757  -4.239
  457    H    THR  61           H        THR  61  11.788  19.968  -0.194
  458    HA   THR  61           HA       THR  61  14.413  21.355  -0.256
  459    HB   THR  61           HB       THR  61  14.143  21.298   2.256
  460    HG1  THR  61           HG1      THR  61  12.506  19.817   2.553
  461   HG21  THR  61          HG21      THR  61  12.642  23.229   2.310
  462   HG22  THR  61          HG22      THR  61  13.697  23.314   0.888
  463   HG23  THR  61          HG23      THR  61  11.999  22.809   0.704
  464    H    SER  62           H        SER  62  16.062  20.371   1.117
  465    HA   SER  62           HA       SER  62  16.512  17.572   0.534
  466    HB2  SER  62           HB2      SER  62  18.580  18.324   2.039
  467    HB3  SER  62           HB3      SER  62  18.429  18.828   0.353
  468    HG   SER  62           HG       SER  62  18.992  20.453   1.823
  469    H    ASP  63           H        ASP  63  17.336  16.160   2.412
  470    HA   ASP  63           HA       ASP  63  16.125  16.683   5.031
  471    HB2  ASP  63           HB2      ASP  63  14.834  14.946   3.018
  472    HB3  ASP  63           HB3      ASP  63  15.249  14.059   4.473
  473    HA   PRO  64           HA       PRO  64  19.568  13.787   5.824
  474    HB2  PRO  64           HB2      PRO  64  19.565  13.741   8.528
  475    HB3  PRO  64           HB3      PRO  64  20.036  15.214   7.634
  476    HG2  PRO  64           HG2      PRO  64  17.363  14.573   8.911
  477    HG3  PRO  64           HG3      PRO  64  18.296  16.097   9.001
  478    HD2  PRO  64           HD2      PRO  64  16.216  15.639   7.214
  479    HD3  PRO  64           HD3      PRO  64  17.554  16.783   6.901
  480    H    ILE  65           H        ILE  65  19.747  11.621   6.354
  481    HA   ILE  65           HA       ILE  65  17.526   9.869   6.288
  482    HB   ILE  65           HB       ILE  65  19.813   9.280   5.738
  483   HG12  ILE  65          HG12      ILE  65  18.683   7.435   7.885
  484   HG13  ILE  65          HG13      ILE  65  17.966   7.641   6.279
  485   HG21  ILE  65          HG21      ILE  65  21.498   8.694   7.384
  486   HG22  ILE  65          HG22      ILE  65  21.017  10.359   7.669
  487   HG23  ILE  65          HG23      ILE  65  20.403   9.069   8.726
  488   HD11  ILE  65          HD11      ILE  65  20.104   6.973   5.247
  489   HD12  ILE  65          HD12      ILE  65  20.754   6.585   6.865
  490   HD13  ILE  65          HD13      ILE  65  19.364   5.697   6.218
  491    H    GLU  66           H        GLU  66  19.078  11.416   9.042
  492    HA   GLU  66           HA       GLU  66  18.082   9.974  11.169
  493    HB2  GLU  66           HB2      GLU  66  18.459  12.998  11.103
  494    HB3  GLU  66           HB3      GLU  66  18.569  11.931  12.506
  495    HG2  GLU  66           HG2      GLU  66  20.551  10.802  11.329
  496    HG3  GLU  66           HG3      GLU  66  20.503  12.126  10.156
  497    H    ASN  67           H        ASN  67  16.253  12.157   9.078
  498    HA   ASN  67           HA       ASN  67  14.240  12.768  11.085
  499    HB2  ASN  67           HB2      ASN  67  14.999  14.322   9.256
  500    HB3  ASN  67           HB3      ASN  67  14.223  13.257   8.088
  501   HD21  ASN  67          HD22      ASN  67  12.908  15.099   7.462
  502   HD22  ASN  67          HD21      ASN  67  11.516  15.550   8.436
  503    H    PHE  68           H        PHE  68  14.783   9.941   9.186
  504    HA   PHE  68           HA       PHE  68  11.897   9.212   9.317
  505    HB2  PHE  68           HB2      PHE  68  13.964   8.697   7.147
  506    HB3  PHE  68           HB3      PHE  68  12.347   7.984   7.216
  507    HD1  PHE  68           HD1      PHE  68  14.240  11.112   6.617
  508    HD2  PHE  68           HD2      PHE  68  10.372   9.207   6.684
  509    HE1  PHE  68           HE1      PHE  68  13.236  13.107   5.549
  510    HE2  PHE  68           HE2      PHE  68   9.354  11.241   5.653
  511    HZ   PHE  68           HZ       PHE  68  10.790  13.199   5.094
  512    H    ASN  69           H        ASN  69  11.907   6.724   8.647
  513    HA   ASN  69           HA       ASN  69  13.776   5.165  10.321
  514    HB2  ASN  69           HB2      ASN  69  11.651   3.796  10.959
  515    HB3  ASN  69           HB3      ASN  69  12.060   5.247  11.873
  516   HD21  ASN  69          HD21      ASN  69  10.359   5.036   8.658
  517   HD22  ASN  69          HD22      ASN  69   8.888   5.785   9.255
  518    H    ALA  70           H        ALA  70  14.365   3.370   9.347
  519    HA   ALA  70           HA       ALA  70  13.959   2.925   6.615
  520    HB1  ALA  70           HB1      ALA  70  15.920   2.105   8.003
  521    HB2  ALA  70           HB2      ALA  70  14.853   0.915   8.768
  522    HB3  ALA  70           HB3      ALA  70  15.193   0.808   7.032
  523    H    ASP  71           H        ASP  71  12.158   1.621   9.345
  524    HA   ASP  71           HA       ASP  71  11.121  -0.702   8.182
  525    HB2  ASP  71           HB2      ASP  71  11.044  -0.179  10.580
  526    HB3  ASP  71           HB3      ASP  71   9.922   1.150  10.276
  527    H    ASP  72           H        ASP  72  10.290   2.617   7.463
  528    HA   ASP  72           HA       ASP  72   7.588   2.012   6.593
  529    HB2  ASP  72           HB2      ASP  72   8.216   4.119   7.735
  530    HB3  ASP  72           HB3      ASP  72   9.259   4.540   6.369
  531    H    TYR  73           H        TYR  73  10.825   1.879   5.225
  532    HA   TYR  73           HA       TYR  73   9.838   2.437   2.552
  533    HB2  TYR  73           HB2      TYR  73  12.596   2.511   3.777
  534    HB3  TYR  73           HB3      TYR  73  12.271   2.744   2.057
  535    HD1  TYR  73           HD1      TYR  73  10.878   4.674   1.274
  536    HD2  TYR  73           HD2      TYR  73  12.115   4.296   5.383
  537    HE1  TYR  73           HE1      TYR  73  10.201   7.007   1.681
  538    HE2  TYR  73           HE2      TYR  73  11.505   6.672   5.809
  539    HH   TYR  73           HH       TYR  73  10.100   8.724   3.185
  540    H    ASP  74           H        ASP  74   9.720   0.865   1.022
  541    HA   ASP  74           HA       ASP  74  10.293  -1.922   1.768
  542    HB2  ASP  74           HB2      ASP  74   8.305  -1.375   0.397
  543    HB3  ASP  74           HB3      ASP  74   9.330  -0.633  -0.823
  544    H    VAL  75           H        VAL  75  11.553   0.688  -0.293
  545    HA   VAL  75           HA       VAL  75  13.929  -1.023  -0.915
  546    HB   VAL  75           HB       VAL  75  12.577  -1.260  -2.756
  547   HG11  VAL  75          HG11      VAL  75  12.170   1.634  -3.251
  548   HG12  VAL  75          HG12      VAL  75  11.477   0.262  -4.110
  549   HG13  VAL  75          HG13      VAL  75  10.946   0.590  -2.463
  550   HG21  VAL  75          HG21      VAL  75  13.910  -0.451  -4.562
  551   HG22  VAL  75          HG22      VAL  75  14.399   1.000  -3.660
  552   HG23  VAL  75          HG23      VAL  75  15.023  -0.580  -3.189
  553    H    VAL  76           H        VAL  76  15.846  -0.191  -0.699
  554    HA   VAL  76           HA       VAL  76  16.057   2.759  -0.233
  555    HB   VAL  76           HB       VAL  76  17.467   0.542   1.239
  556   HG11  VAL  76          HG11      VAL  76  18.524   2.141   2.598
  557   HG12  VAL  76          HG12      VAL  76  18.881   2.589   0.949
  558   HG13  VAL  76          HG13      VAL  76  17.642   3.502   1.845
  559   HG21  VAL  76          HG21      VAL  76  16.231   1.341   3.229
  560   HG22  VAL  76          HG22      VAL  76  15.311   2.459   2.201
  561   HG23  VAL  76          HG23      VAL  76  15.150   0.703   1.997
  562    H    ILE  77           H        ILE  77  17.012   3.603  -1.883
  563    HA   ILE  77           HA       ILE  77  19.225   2.219  -3.275
  564    HB   ILE  77           HB       ILE  77  17.493   4.609  -4.012
  565   HG12  ILE  77          HG12      ILE  77  16.162   2.650  -4.270
  566   HG13  ILE  77          HG13      ILE  77  16.707   3.154  -5.864
  567   HG21  ILE  77          HG21      ILE  77  19.741   3.274  -5.561
  568   HG22  ILE  77          HG22      ILE  77  18.612   4.506  -6.196
  569   HG23  ILE  77          HG23      ILE  77  19.735   4.920  -4.917
  570   HD11  ILE  77          HD11      ILE  77  18.399   1.375  -5.891
  571   HD12  ILE  77          HD12      ILE  77  17.929   0.859  -4.259
  572   HD13  ILE  77          HD13      ILE  77  16.784   0.702  -5.608
  573    H    SER  78           H        SER  78  20.974   2.555  -2.024
  574    HA   SER  78           HA       SER  78  21.489   5.283  -0.988
  575    HB2  SER  78           HB2      SER  78  23.135   2.739  -0.988
  576    HB3  SER  78           HB3      SER  78  23.745   4.340  -0.482
  577    HG   SER  78           HG       SER  78  21.375   3.166   0.532
  578    H    LEU  79           H        LEU  79  23.215   6.438  -1.862
  579    HA   LEU  79           HA       LEU  79  24.471   5.781  -4.358
  580    HB2  LEU  79           HB2      LEU  79  23.524   8.286  -5.083
  581    HB3  LEU  79           HB3      LEU  79  23.130   6.750  -5.761
  582    HG   LEU  79           HG       LEU  79  21.132   6.724  -4.027
  583   HD11  LEU  79          HD11      LEU  79  20.416   8.804  -3.220
  584   HD12  LEU  79          HD12      LEU  79  22.160   8.761  -2.892
  585   HD13  LEU  79          HD13      LEU  79  21.539   9.698  -4.250
  586   HD21  LEU  79          HD21      LEU  79  19.736   8.030  -5.605
  587   HD22  LEU  79          HD22      LEU  79  21.202   8.549  -6.459
  588   HD23  LEU  79          HD23      LEU  79  20.761   6.832  -6.405
  589    H    CYS  80           H        CYS  80  25.561   5.696  -2.105
  590    HA   CYS  80           HA       CYS  80  26.734   8.261  -1.216
  591    HB2  CYS  80           HB2      CYS  80  27.470   5.367  -0.561
  592    HB3  CYS  80           HB3      CYS  80  28.109   6.833   0.222
  593    HG   CYS  80           HG       CYS  80  25.837   7.706   1.144
  594    H    GLY  81           H        GLY  81  27.364   5.439  -3.303
  595    HA2  GLY  81           HA2      GLY  81  28.335   5.479  -5.345
  596    HA3  GLY  81           HA3      GLY  81  28.920   7.128  -5.092
  597    H    CYS  82           H        CYS  82  30.504   6.758  -2.775
  598    HA   CYS  82           HA       CYS  82  32.844   5.549  -3.895
  599    HB2  CYS  82           HB2      CYS  82  32.370   6.509  -1.029
  600    HB3  CYS  82           HB3      CYS  82  33.932   6.337  -1.840
  601    HG   CYS  82           HG       CYS  82  33.481   8.102  -3.721
  602    H    GLY  83           H        GLY  83  30.675   3.658  -3.468
  603    HA2  GLY  83           HA2      GLY  83  30.097   1.660  -2.650
  604    HA3  GLY  83           HA3      GLY  83  31.832   1.336  -2.394
  605    H    VAL  84           H        VAL  84  30.358   4.006  -0.731
  606    HA   VAL  84           HA       VAL  84  30.619   2.843   1.899
  607    HB   VAL  84           HB       VAL  84  29.723   5.473   0.804
  608   HG11  VAL  84          HG11      VAL  84  29.804   4.727   3.755
  609   HG12  VAL  84          HG12      VAL  84  29.630   6.375   3.117
  610   HG13  VAL  84          HG13      VAL  84  28.359   5.190   2.821
  611   HG21  VAL  84          HG21      VAL  84  32.164   5.033   0.816
  612   HG22  VAL  84          HG22      VAL  84  31.732   6.345   1.918
  613   HG23  VAL  84          HG23      VAL  84  32.089   4.729   2.560
  614    H    ASN  85           H        ASN  85  28.767   2.603   3.293
  615    HA   ASN  85           HA       ASN  85  26.190   1.988   1.989
  616    HB2  ASN  85           HB2      ASN  85  28.012  -0.005   2.076
  617    HB3  ASN  85           HB3      ASN  85  27.440  -0.144   3.733
  618   HD21  ASN  85          HD22      ASN  85  27.009  -1.458   0.752
  619   HD22  ASN  85          HD21      ASN  85  25.302  -1.844   0.825
  620    H    LEU  86           H        LEU  86  24.795   0.948   3.965
  621    HA   LEU  86           HA       LEU  86  24.846   3.118   6.016
  622    HB2  LEU  86           HB2      LEU  86  22.509   1.497   4.947
  623    HB3  LEU  86           HB3      LEU  86  22.439   2.844   6.078
  624    HG   LEU  86           HG       LEU  86  23.183   2.942   3.117
  625   HD11  LEU  86          HD11      LEU  86  20.790   2.707   3.604
  626   HD12  LEU  86          HD12      LEU  86  20.848   4.116   4.696
  627   HD13  LEU  86          HD13      LEU  86  21.140   4.312   2.958
  628   HD21  LEU  86          HD21      LEU  86  24.571   4.592   4.264
  629   HD22  LEU  86          HD22      LEU  86  23.293   5.394   3.360
  630   HD23  LEU  86          HD23      LEU  86  23.151   5.234   5.129
  631    HA   PRO  87           HA       PRO  87  25.619  -0.474   8.748
  632    HB2  PRO  87           HB2      PRO  87  25.380   1.768  10.748
  633    HB3  PRO  87           HB3      PRO  87  26.525   0.398  10.711
  634    HG2  PRO  87           HG2      PRO  87  27.301   2.874   9.897
  635    HG3  PRO  87           HG3      PRO  87  27.817   1.413   8.993
  636    HD2  PRO  87           HD2      PRO  87  25.596   3.349   8.320
  637    HD3  PRO  87           HD3      PRO  87  26.807   2.587   7.247
  638    HA   PRO  88           HA       PRO  88  21.559   0.313  11.092
  639    HB2  PRO  88           HB2      PRO  88  19.782   2.316  10.429
  640    HB3  PRO  88           HB3      PRO  88  21.182   2.552  11.509
  641    HG2  PRO  88           HG2      PRO  88  21.073   3.100   8.514
  642    HG3  PRO  88           HG3      PRO  88  21.581   4.217   9.827
  643    HD2  PRO  88           HD2      PRO  88  23.276   2.807   8.362
  644    HD3  PRO  88           HD3      PRO  88  23.572   3.012  10.118
  645    H    GLU  89           H        GLU  89  19.093   0.155  10.662
  646    HA   GLU  89           HA       GLU  89  18.664  -2.109   9.168
  647    HB2  GLU  89           HB2      GLU  89  16.581  -0.040   9.963
  648    HB3  GLU  89           HB3      GLU  89  16.269  -1.741   9.630
  649    HG2  GLU  89           HG2      GLU  89  17.864  -0.619  11.962
  650    HG3  GLU  89           HG3      GLU  89  16.206  -1.193  12.002
  651    H    TRP  90           H        TRP  90  18.812   1.050   7.873
  652    HA   TRP  90           HA       TRP  90  17.019   0.935   5.687
  653    HB2  TRP  90           HB2      TRP  90  19.740   2.244   6.025
  654    HB3  TRP  90           HB3      TRP  90  18.604   2.587   4.728
  655    HD1  TRP  90           HD1      TRP  90  19.072   3.219   8.460
  656    HE1  TRP  90           HE1      TRP  90  17.670   5.170   9.167
  657    HE3  TRP  90           HE3      TRP  90  16.211   3.560   4.272
  658    HZ2  TRP  90           HZ2      TRP  90  15.377   6.654   8.086
  659    HZ3  TRP  90           HZ3      TRP  90  14.323   5.157   4.185
  660    HH2  TRP  90           HH2      TRP  90  13.907   6.708   6.058
  661    H    VAL  91           H        VAL  91  20.057  -0.865   6.272
  662    HA   VAL  91           HA       VAL  91  20.283  -1.364   3.408
  663    HB   VAL  91           HB       VAL  91  22.271  -0.943   4.807
  664   HG11  VAL  91          HG11      VAL  91  21.921  -3.751   5.931
  665   HG12  VAL  91          HG12      VAL  91  23.227  -2.607   6.271
  666   HG13  VAL  91          HG13      VAL  91  21.603  -2.265   6.858
  667   HG21  VAL  91          HG21      VAL  91  22.327  -3.664   3.454
  668   HG22  VAL  91          HG22      VAL  91  22.499  -2.086   2.655
  669   HG23  VAL  91          HG23      VAL  91  23.715  -2.627   3.820
  670    H    THR  92           H        THR  92  18.561  -2.674   6.116
  671    HA   THR  92           HA       THR  92  18.582  -5.362   4.970
  672    HB   THR  92           HB       THR  92  17.850  -6.074   7.253
  673    HG1  THR  92           HG1      THR  92  16.896  -4.209   8.017
  674   HG21  THR  92          HG21      THR  92  20.310  -5.888   6.614
  675   HG22  THR  92          HG22      THR  92  20.317  -4.316   7.457
  676   HG23  THR  92          HG23      THR  92  19.952  -5.803   8.348
  677    H    GLN  93           H        GLN  93  16.928  -3.084   4.057
  678    HA   GLN  93           HA       GLN  93  14.163  -4.058   4.449
  679    HB2  GLN  93           HB2      GLN  93  15.195  -1.801   2.682
  680    HB3  GLN  93           HB3      GLN  93  13.508  -2.206   3.015
  681    HG2  GLN  93           HG2      GLN  93  15.557  -1.082   4.948
  682    HG3  GLN  93           HG3      GLN  93  14.084  -0.316   4.393
  683   HE21  GLN  93          HE22      GLN  93  15.418  -1.791   7.044
  684   HE22  GLN  93          HE21      GLN  93  13.965  -2.410   7.810
  685    H    GLU  94           H        GLU  94  12.955  -4.245   2.218
  686    HA   GLU  94           HA       GLU  94  13.785  -6.716   1.250
  687    HB2  GLU  94           HB2      GLU  94  11.782  -4.696   0.209
  688    HB3  GLU  94           HB3      GLU  94  12.019  -6.255  -0.559
  689    HG2  GLU  94           HG2      GLU  94  10.122  -6.384   0.938
  690    HG3  GLU  94           HG3      GLU  94  11.413  -7.462   1.443
  691    H    ILE  95           H        ILE  95  14.487  -3.537  -0.180
  692    HA   ILE  95           HA       ILE  95  16.166  -4.937  -2.235
  693    HB   ILE  95           HB       ILE  95  14.249  -2.675  -2.623
  694   HG12  ILE  95          HG12      ILE  95  14.298  -5.582  -3.500
  695   HG13  ILE  95          HG13      ILE  95  13.033  -4.710  -2.622
  696   HG21  ILE  95          HG21      ILE  95  16.185  -3.966  -4.639
  697   HG22  ILE  95          HG22      ILE  95  15.049  -2.651  -5.000
  698   HG23  ILE  95          HG23      ILE  95  16.405  -2.351  -3.938
  699   HD11  ILE  95          HD11      ILE  95  12.255  -5.108  -4.828
  700   HD12  ILE  95          HD12      ILE  95  12.626  -3.368  -4.714
  701   HD13  ILE  95          HD13      ILE  95  13.754  -4.486  -5.539
  702    H    PHE  96           H        PHE  96  18.221  -3.963  -2.442
  703    HA   PHE  96           HA       PHE  96  18.684  -1.327  -1.369
  704    HB2  PHE  96           HB2      PHE  96  19.249  -2.692   0.570
  705    HB3  PHE  96           HB3      PHE  96  20.234  -3.765  -0.430
  706    HD1  PHE  96           HD1      PHE  96  22.426  -3.001  -1.354
  707    HD2  PHE  96           HD2      PHE  96  20.016  -0.406   1.116
  708    HE1  PHE  96           HE1      PHE  96  24.236  -1.293  -1.374
  709    HE2  PHE  96           HE2      PHE  96  21.897   1.203   1.224
  710    HZ   PHE  96           HZ       PHE  96  23.996   0.772  -0.016
  711    H    GLU  97           H        GLU  97  20.178  -0.270  -2.612
  712    HA   GLU  97           HA       GLU  97  22.225  -1.716  -4.105
  713    HB2  GLU  97           HB2      GLU  97  20.163   0.071  -5.471
  714    HB3  GLU  97           HB3      GLU  97  21.782  -0.179  -6.122
  715    HG2  GLU  97           HG2      GLU  97  21.408  -2.616  -6.141
  716    HG3  GLU  97           HG3      GLU  97  19.701  -2.339  -5.718
  717    H    ASP  98           H        ASP  98  23.872  -0.200  -4.778
  718    HA   ASP  98           HA       ASP  98  23.779   2.499  -3.600
  719    HB2  ASP  98           HB2      ASP  98  25.374   1.298  -2.251
  720    HB3  ASP  98           HB3      ASP  98  26.255   0.785  -3.700
  721    H    TRP  99           H        TRP  99  23.225   3.637  -5.445
  722    HA   TRP  99           HA       TRP  99  24.280   2.929  -8.081
  723    HB2  TRP  99           HB2      TRP  99  22.626   5.316  -7.225
  724    HB3  TRP  99           HB3      TRP  99  23.053   4.907  -8.859
  725    HD1  TRP  99           HD1      TRP  99  22.188   1.633  -7.468
  726    HE1  TRP  99           HE1      TRP  99  19.776   0.996  -7.976
  727    HE3  TRP  99           HE3      TRP  99  20.453   6.261  -8.732
  728    HZ2  TRP  99           HZ2      TRP  99  17.252   2.423  -8.612
  729    HZ3  TRP  99           HZ3      TRP  99  18.050   6.614  -9.191
  730    HH2  TRP  99           HH2      TRP  99  16.476   4.719  -9.100
  731    H    GLN 100           H        GLN 100  26.436   3.067  -8.129
  732    HA   GLN 100           HA       GLN 100  27.975   5.340  -7.328
  733    HB2  GLN 100           HB2      GLN 100  28.815   3.026  -7.718
  734    HB3  GLN 100           HB3      GLN 100  28.583   3.241  -9.456
  735    HG2  GLN 100           HG2      GLN 100  30.297   4.924  -9.562
  736    HG3  GLN 100           HG3      GLN 100  30.297   5.151  -7.810
  737   HE21  GLN 100          HE22      GLN 100  31.163   3.445  -6.424
  738   HE22  GLN 100          HE21      GLN 100  32.296   2.265  -7.060
  739    H    LEU 101           H        LEU 101  27.980   7.300  -8.184
  740    HA   LEU 101           HA       LEU 101  27.141   7.896 -10.955
  741    HB2  LEU 101           HB2      LEU 101  25.732   8.620  -8.353
  742    HB3  LEU 101           HB3      LEU 101  25.526   9.605  -9.796
  743    HG   LEU 101           HG       LEU 101  24.780   6.642  -9.659
  744   HD11  LEU 101          HD11      LEU 101  22.479   7.430  -9.385
  745   HD12  LEU 101          HD12      LEU 101  23.502   7.849  -8.011
  746   HD13  LEU 101          HD13      LEU 101  23.080   9.104  -9.194
  747   HD21  LEU 101          HD21      LEU 101  25.131   7.391 -11.942
  748   HD22  LEU 101          HD22      LEU 101  23.411   7.147 -11.618
  749   HD23  LEU 101          HD23      LEU 101  24.074   8.794 -11.679
  750    H    GLU 102           H        GLU 102  27.814  10.085 -11.492
  751    HA   GLU 102           HA       GLU 102  30.027  10.994  -9.891
  752    HB2  GLU 102           HB2      GLU 102  29.001  11.832 -12.630
  753    HB3  GLU 102           HB3      GLU 102  30.427  12.533 -11.846
  754    HG2  GLU 102           HG2      GLU 102  31.443  10.249 -11.710
  755    HG3  GLU 102           HG3      GLU 102  30.069   9.605 -12.612
  756    H    ASP 103           H        ASP 103  28.801  11.529  -8.112
  757    HA   ASP 103           HA       ASP 103  26.886  13.095  -7.326
  758    HB2  ASP 103           HB2      ASP 103  28.132  12.538  -5.592
  759    HB3  ASP 103           HB3      ASP 103  29.671  12.879  -6.381
  760    HA   PRO 104           HA       PRO 104  27.458  16.382 -10.255
  761    HB2  PRO 104           HB2      PRO 104  24.700  17.113  -9.343
  762    HB3  PRO 104           HB3      PRO 104  25.405  17.021 -11.005
  763    HG2  PRO 104           HG2      PRO 104  23.861  15.006 -10.018
  764    HG3  PRO 104           HG3      PRO 104  25.304  14.700 -11.044
  765    HD2  PRO 104           HD2      PRO 104  25.018  14.399  -8.066
  766    HD3  PRO 104           HD3      PRO 104  25.965  13.437  -9.245
  767    H    ASP 105           H        ASP 105  27.298  16.906  -6.863
  768    HA   ASP 105           HA       ASP 105  26.582  19.629  -6.806
  769    HB2  ASP 105           HB2      ASP 105  26.510  18.280  -4.829
  770    HB3  ASP 105           HB3      ASP 105  28.274  18.082  -4.844
  771    H    GLY 106           H        GLY 106  27.627  20.722  -8.463
  772    HA2  GLY 106           HA2      GLY 106  29.046  22.681  -8.541
  773    HA3  GLY 106           HA3      GLY 106  30.334  21.769  -7.749
  774    H    GLN 107           H        GLN 107  28.583  19.985 -10.221
  775    HA   GLN 107           HA       GLN 107  31.107  19.882 -11.746
  776    HB2  GLN 107           HB2      GLN 107  28.584  18.261 -12.160
  777    HB3  GLN 107           HB3      GLN 107  30.213  17.894 -12.738
  778    HG2  GLN 107           HG2      GLN 107  29.391  17.921  -9.826
  779    HG3  GLN 107           HG3      GLN 107  29.431  16.505 -10.868
  780   HE21  GLN 107          HE22      GLN 107  30.701  15.986  -8.804
  781   HE22  GLN 107          HE21      GLN 107  32.451  16.141  -8.950
  782    H    SER 108           H        SER 108  30.592  19.294 -14.198
  783    HA   SER 108           HA       SER 108  29.591  21.692 -15.525
  784    HB2  SER 108           HB2      SER 108  30.629  19.000 -16.515
  785    HB3  SER 108           HB3      SER 108  30.399  20.449 -17.522
  786    HG   SER 108           HG       SER 108  32.577  20.201 -16.840
  787    H    LEU 109           H        LEU 109  27.827  21.613 -17.133
  788    HA   LEU 109           HA       LEU 109  25.511  20.281 -16.259
  789    HB2  LEU 109           HB2      LEU 109  26.165  21.340 -19.037
  790    HB3  LEU 109           HB3      LEU 109  24.567  20.784 -18.544
  791    HG   LEU 109           HG       LEU 109  26.052  23.099 -17.236
  792   HD11  LEU 109          HD11      LEU 109  25.433  23.605 -19.572
  793   HD12  LEU 109          HD12      LEU 109  23.755  23.119 -19.247
  794   HD13  LEU 109          HD13      LEU 109  24.449  24.544 -18.441
  795   HD21  LEU 109          HD21      LEU 109  23.827  23.635 -16.248
  796   HD22  LEU 109          HD22      LEU 109  23.167  22.136 -16.933
  797   HD23  LEU 109          HD23      LEU 109  24.436  22.079 -15.688
  798    H    GLU 110           H        GLU 110  27.947  19.180 -18.598
  799    HA   GLU 110           HA       GLU 110  26.402  17.004 -19.601
  800    HB2  GLU 110           HB2      GLU 110  29.296  17.804 -19.587
  801    HB3  GLU 110           HB3      GLU 110  28.895  16.146 -20.038
  802    HG2  GLU 110           HG2      GLU 110  29.021  17.621 -22.022
  803    HG3  GLU 110           HG3      GLU 110  27.459  16.838 -21.832
  804    H    VAL 111           H        VAL 111  28.461  17.316 -16.711
  805    HA   VAL 111           HA       VAL 111  28.386  14.494 -16.018
  806    HB   VAL 111           HB       VAL 111  28.851  16.944 -14.299
  807   HG11  VAL 111          HG11      VAL 111  28.188  15.160 -12.830
  808   HG12  VAL 111          HG12      VAL 111  29.191  13.983 -13.713
  809   HG13  VAL 111          HG13      VAL 111  29.952  15.256 -12.747
  810   HG21  VAL 111          HG21      VAL 111  31.248  16.308 -14.458
  811   HG22  VAL 111          HG22      VAL 111  30.822  14.985 -15.563
  812   HG23  VAL 111          HG23      VAL 111  30.590  16.673 -16.054
  813    H    PHE 112           H        PHE 112  26.448  17.414 -15.154
  814    HA   PHE 112           HA       PHE 112  24.571  16.099 -13.474
  815    HB2  PHE 112           HB2      PHE 112  24.472  18.596 -15.182
  816    HB3  PHE 112           HB3      PHE 112  23.030  17.952 -14.450
  817    HD1  PHE 112           HD2      PHE 112  26.259  19.535 -13.688
  818    HD2  PHE 112           HD1      PHE 112  22.504  18.080 -12.135
  819    HE1  PHE 112           HE2      PHE 112  26.708  20.659 -11.531
  820    HE2  PHE 112           HE1      PHE 112  22.966  19.218  -9.979
  821    HZ   PHE 112           HZ       PHE 112  25.121  20.432  -9.662
  822    H    ARG 113           H        ARG 113  24.341  16.733 -17.037
  823    HA   ARG 113           HA       ARG 113  22.000  15.281 -17.529
  824    HB2  ARG 113           HB2      ARG 113  24.440  15.962 -19.196
  825    HB3  ARG 113           HB3      ARG 113  23.162  14.957 -19.882
  826    HG2  ARG 113           HG2      ARG 113  21.580  16.625 -19.873
  827    HG3  ARG 113           HG3      ARG 113  22.307  17.467 -18.510
  828    HD2  ARG 113           HD2      ARG 113  24.055  18.382 -19.830
  829    HD3  ARG 113           HD3      ARG 113  23.489  17.508 -21.282
  830    HE   ARG 113           HE       ARG 113  21.297  18.958 -20.290
  831   HH11  ARG 113          HH11      ARG 113  24.582  19.795 -21.500
  832   HH12  ARG 113          HH12      ARG 113  24.074  21.332 -22.110
  833   HH21  ARG 113          HH21      ARG 113  20.655  20.920 -21.176
  834   HH22  ARG 113          HH22      ARG 113  21.800  22.012 -21.907
  835    H    THR 114           H        THR 114  25.394  13.964 -17.429
  836    HA   THR 114           HA       THR 114  24.688  11.365 -18.233
  837    HB   THR 114           HB       THR 114  26.920  12.440 -16.441
  838    HG1  THR 114           HG1      THR 114  27.037  13.361 -18.421
  839   HG21  THR 114          HG21      THR 114  26.668   9.805 -17.920
  840   HG22  THR 114          HG22      THR 114  28.161  10.429 -17.163
  841   HG23  THR 114          HG23      THR 114  26.752  10.049 -16.155
  842    H    VAL 115           H        VAL 115  24.966  12.812 -14.910
  843    HA   VAL 115           HA       VAL 115  24.145  10.424 -13.618
  844    HB   VAL 115           HB       VAL 115  24.240  13.286 -12.752
  845   HG11  VAL 115          HG11      VAL 115  23.555  10.876 -11.016
  846   HG12  VAL 115          HG12      VAL 115  24.007  12.463 -10.387
  847   HG13  VAL 115          HG13      VAL 115  22.524  12.287 -11.322
  848   HG21  VAL 115          HG21      VAL 115  26.163  12.420 -11.407
  849   HG22  VAL 115          HG22      VAL 115  25.932  10.824 -12.144
  850   HG23  VAL 115          HG23      VAL 115  26.415  12.217 -13.139
  851    H    ARG 116           H        ARG 116  22.211  13.309 -14.679
  852    HA   ARG 116           HA       ARG 116  19.726  12.453 -13.680
  853    HB2  ARG 116           HB2      ARG 116  19.765  14.635 -14.601
  854    HB3  ARG 116           HB3      ARG 116  20.496  14.099 -16.124
  855    HG2  ARG 116           HG2      ARG 116  18.477  13.012 -16.847
  856    HG3  ARG 116           HG3      ARG 116  17.739  13.171 -15.263
  857    HD2  ARG 116           HD2      ARG 116  16.692  14.635 -16.750
  858    HD3  ARG 116           HD3      ARG 116  17.540  15.613 -15.592
  859    HE   ARG 116           HE       ARG 116  18.910  16.455 -17.289
  860   HH11  ARG 116          HH11      ARG 116  17.140  13.644 -18.575
  861   HH12  ARG 116          HH12      ARG 116  17.483  14.016 -20.220
  862   HH21  ARG 116          HH21      ARG 116  19.226  17.028 -19.517
  863   HH22  ARG 116          HH22      ARG 116  18.746  15.914 -20.750
  864    H    GLY 117           H        GLY 117  21.340  11.601 -16.786
  865    HA2  GLY 117           HA2      GLY 117  19.184  10.038 -17.725
  866    HA3  GLY 117           HA3      GLY 117  20.886   9.887 -18.260
  867    H    GLN 118           H        GLN 118  22.166   9.007 -15.909
  868    HA   GLN 118           HA       GLN 118  21.470   6.258 -15.883
  869    HB2  GLN 118           HB2      GLN 118  23.168   7.935 -13.990
  870    HB3  GLN 118           HB3      GLN 118  22.937   6.193 -13.830
  871    HG2  GLN 118           HG2      GLN 118  23.787   6.087 -16.317
  872    HG3  GLN 118           HG3      GLN 118  24.397   7.715 -15.989
  873   HE21  GLN 118          HE22      GLN 118  26.600   7.580 -15.473
  874   HE22  GLN 118          HE21      GLN 118  27.308   6.328 -14.483
  875    H    VAL 119           H        VAL 119  21.078   8.707 -13.323
  876    HA   VAL 119           HA       VAL 119  19.575   7.277 -11.492
  877    HB   VAL 119           HB       VAL 119  19.412  10.236 -12.204
  878   HG11  VAL 119          HG11      VAL 119  18.397   8.857  -9.679
  879   HG12  VAL 119          HG12      VAL 119  18.413  10.605  -9.993
  880   HG13  VAL 119          HG13      VAL 119  17.368   9.536 -10.937
  881   HG21  VAL 119          HG21      VAL 119  20.872  10.566 -10.290
  882   HG22  VAL 119          HG22      VAL 119  20.748   8.860  -9.832
  883   HG23  VAL 119          HG23      VAL 119  21.636   9.324 -11.291
  884    H    LYS 120           H        LYS 120  18.132   9.225 -14.319
  885    HA   LYS 120           HA       LYS 120  15.528   8.524 -13.498
  886    HB2  LYS 120           HB2      LYS 120  16.049  10.344 -15.111
  887    HB3  LYS 120           HB3      LYS 120  16.552   9.137 -16.311
  888    HG2  LYS 120           HG2      LYS 120  14.232   8.170 -16.256
  889    HG3  LYS 120           HG3      LYS 120  13.772   9.423 -15.089
  890    HD2  LYS 120           HD2      LYS 120  12.994  10.287 -17.144
  891    HD3  LYS 120           HD3      LYS 120  14.498  11.152 -16.865
  892    HE2  LYS 120           HE2      LYS 120  14.588  10.507 -19.143
  893    HE3  LYS 120           HE3      LYS 120  15.653   9.364 -18.323
  894    HZ1  LYS 120           HZ1      LYS 120  12.872   8.846 -19.210
  895    HZ2  LYS 120           HZ2      LYS 120  14.223   8.219 -19.862
  896    HZ3  LYS 120           HZ3      LYS 120  13.749   7.750 -18.367
  897    H    GLU 121           H        GLU 121  17.714   6.886 -15.790
  898    HA   GLU 121           HA       GLU 121  15.892   4.879 -16.580
  899    HB2  GLU 121           HB2      GLU 121  17.700   4.684 -17.958
  900    HB3  GLU 121           HB3      GLU 121  18.740   5.511 -16.795
  901    HG2  GLU 121           HG2      GLU 121  19.431   3.628 -15.708
  902    HG3  GLU 121           HG3      GLU 121  18.229   2.573 -16.498
  903    H    ARG 122           H        ARG 122  18.200   5.054 -13.861
  904    HA   ARG 122           HA       ARG 122  17.740   2.337 -12.998
  905    HB2  ARG 122           HB2      ARG 122  18.918   4.750 -11.585
  906    HB3  ARG 122           HB3      ARG 122  18.899   3.101 -10.943
  907    HG2  ARG 122           HG2      ARG 122  20.435   2.264 -12.475
  908    HG3  ARG 122           HG3      ARG 122  20.280   3.646 -13.563
  909    HD2  ARG 122           HD2      ARG 122  21.221   5.142 -11.824
  910    HD3  ARG 122           HD3      ARG 122  21.399   3.776 -10.729
  911    HE   ARG 122           HE       ARG 122  23.017   4.394 -13.124
  912   HH11  ARG 122          HH11      ARG 122  22.414   2.050 -10.523
  913   HH12  ARG 122          HH12      ARG 122  23.987   1.346 -10.624
  914   HH21  ARG 122          HH21      ARG 122  25.109   3.612 -13.142
  915   HH22  ARG 122          HH22      ARG 122  25.572   2.256 -12.161
  916    H    VAL 123           H        VAL 123  16.335   5.511 -11.800
  917    HA   VAL 123           HA       VAL 123  14.519   4.480  -9.989
  918    HB   VAL 123           HB       VAL 123  14.244   6.791 -11.952
  919   HG11  VAL 123          HG11      VAL 123  12.534   6.114  -9.518
  920   HG12  VAL 123          HG12      VAL 123  12.518   7.643 -10.436
  921   HG13  VAL 123          HG13      VAL 123  11.992   6.149 -11.206
  922   HG21  VAL 123          HG21      VAL 123  14.776   8.202 -10.019
  923   HG22  VAL 123          HG22      VAL 123  14.899   6.775  -8.979
  924   HG23  VAL 123          HG23      VAL 123  16.079   7.040 -10.247
  925    H    GLU 124           H        GLU 124  14.051   4.790 -13.613
  926    HA   GLU 124           HA       GLU 124  11.480   3.622 -13.594
  927    HB2  GLU 124           HB2      GLU 124  13.628   3.637 -15.765
  928    HB3  GLU 124           HB3      GLU 124  11.997   3.023 -16.010
  929    HG2  GLU 124           HG2      GLU 124  11.052   5.238 -15.492
  930    HG3  GLU 124           HG3      GLU 124  12.673   5.879 -15.227
  931    H    ASN 125           H        ASN 125  14.689   2.153 -13.727
  932    HA   ASN 125           HA       ASN 125  13.884  -0.518 -14.209
  933    HB2  ASN 125           HB2      ASN 125  16.270   0.671 -14.200
  934    HB3  ASN 125           HB3      ASN 125  16.324   0.120 -12.531
  935   HD21  ASN 125          HD22      ASN 125  16.716  -0.713 -15.826
  936   HD22  ASN 125          HD21      ASN 125  16.957  -2.434 -15.623
  937    H    LEU 126           H        LEU 126  14.494   1.262 -11.186
  938    HA   LEU 126           HA       LEU 126  13.904  -0.907  -9.464
  939    HB2  LEU 126           HB2      LEU 126  14.620   0.351  -7.814
  940    HB3  LEU 126           HB3      LEU 126  15.103   1.464  -9.068
  941    HG   LEU 126           HG       LEU 126  12.719   2.482  -8.750
  942   HD11  LEU 126          HD11      LEU 126  11.982   0.606  -7.139
  943   HD12  LEU 126          HD12      LEU 126  13.099   1.280  -5.970
  944   HD13  LEU 126          HD13      LEU 126  11.739   2.261  -6.552
  945   HD21  LEU 126          HD21      LEU 126  14.933   3.528  -8.081
  946   HD22  LEU 126          HD22      LEU 126  13.504   4.049  -7.182
  947   HD23  LEU 126          HD23      LEU 126  14.638   2.897  -6.456
  948    H    ILE 127           H        ILE 127  11.828   1.755 -10.608
  949    HA   ILE 127           HA       ILE 127   9.413   0.982  -9.372
  950    HB   ILE 127           HB       ILE 127  10.174   2.388 -11.956
  951   HG12  ILE 127          HG12      ILE 127   8.607   3.389  -9.538
  952   HG13  ILE 127          HG13      ILE 127  10.369   3.504  -9.655
  953   HG21  ILE 127          HG21      ILE 127   7.751   2.987 -12.269
  954   HG22  ILE 127          HG22      ILE 127   8.135   1.306 -12.572
  955   HG23  ILE 127          HG23      ILE 127   7.362   1.745 -11.034
  956   HD11  ILE 127          HD11      ILE 127  10.059   4.861 -11.787
  957   HD12  ILE 127          HD12      ILE 127   8.326   4.941 -11.411
  958   HD13  ILE 127          HD13      ILE 127   9.500   5.636 -10.295
  959    H    ALA 128           H        ALA 128  10.947  -0.304 -12.372
  960    HA   ALA 128           HA       ALA 128   8.655  -1.660 -13.287
  961    HB1  ALA 128           HB1      ALA 128  10.680  -1.265 -14.667
  962    HB2  ALA 128           HB2      ALA 128  11.566  -2.475 -13.707
  963    HB3  ALA 128           HB3      ALA 128  10.180  -2.967 -14.697
  964    H    LYS 129           H        LYS 129  10.960  -2.571 -10.841
  965    HA   LYS 129           HA       LYS 129  10.329  -5.336 -10.581
  966    HB2  LYS 129           HB2      LYS 129  11.588  -3.334  -8.716
  967    HB3  LYS 129           HB3      LYS 129  11.612  -5.085  -8.457
  968    HG2  LYS 129           HG2      LYS 129  12.914  -5.429 -10.498
  969    HG3  LYS 129           HG3      LYS 129  12.761  -3.728 -10.938
  970    HD2  LYS 129           HD2      LYS 129  13.885  -3.291  -8.598
  971    HD3  LYS 129           HD3      LYS 129  14.448  -4.958  -8.778
  972    HE2  LYS 129           HE2      LYS 129  14.882  -2.606 -10.685
  973    HE3  LYS 129           HE3      LYS 129  16.108  -3.299  -9.625
  974    HZ1  LYS 129           HZ1      LYS 129  16.202  -3.964 -11.996
  975    HZ2  LYS 129           HZ2      LYS 129  16.147  -5.254 -10.971
  976    HZ3  LYS 129           HZ3      LYS 129  14.823  -4.801 -11.832
  977    H    ILE 130           H        ILE 130   8.759  -2.403  -9.359
  978    HA   ILE 130           HA       ILE 130   7.204  -3.923  -7.426
  979    HB   ILE 130           HB       ILE 130   7.124  -1.618  -6.343
  980   HG12  ILE 130          HG12      ILE 130   9.310  -0.996  -8.248
  981   HG13  ILE 130          HG13      ILE 130   7.795  -0.130  -7.989
  982   HG21  ILE 130          HG21      ILE 130   9.875  -2.940  -6.590
  983   HG22  ILE 130          HG22      ILE 130   9.220  -2.146  -5.131
  984   HG23  ILE 130          HG23      ILE 130   8.545  -3.678  -5.667
  985   HD11  ILE 130          HD11      ILE 130  10.198  -0.335  -6.134
  986   HD12  ILE 130          HD12      ILE 130   9.646   1.089  -7.018
  987   HD13  ILE 130          HD13      ILE 130   8.667   0.433  -5.671
  988    H    SER 131           H        SER 131   6.860  -1.679 -10.076
  989    HA   SER 131           HA       SER 131   4.349  -0.692  -9.974
  990    HB2  SER 131           HB2      SER 131   5.547  -2.248 -12.300
  991    HB3  SER 131           HB3      SER 131   4.149  -1.165 -12.410
  992    HG   SER 131           HG       SER 131   6.153  -0.167 -12.972