*HEADER    TRANSCRIPTION REGULATOR                 19-MAY-08   2K3X              
*TITLE     SOLUTION STRUCTURE OF EAF3 CHROMO BARREL DOMAIN                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHROMATIN MODIFICATION-RELATED PROTEIN EAF3;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1 TO 113;                                     
*COMPND   5 SYNONYM: ESA1-ASSOCIATED FACTOR 3;                                   
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 GENE: EAF3, YPR023C, YP9367.03C;                                     
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PET22B(+)                                  
*KEYWDS    EAF3, CHROMO BARREL DOMAIN, HISTONE DEACETYLASE, METHYLATED           
*KEYWDS   2 HISTONES H3K36 AND H3K4, CHROMATIN REGULATOR, DNA DAMAGE,            
*KEYWDS   3 DNA REPAIR, NUCLEUS, PHOSPHOPROTEIN, TRANSCRIPTION,                  
*KEYWDS   4 TRANSCRIPTION REGULATION, TRANSCRIPTION REGULATOR                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.MER, C.XU                                                           
*REVDAT   1   16-SEP-08 2K3X    0                                                


#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 100., rk3=100.,  &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 CG1 CG2 HB
 &rst iat=22,26,30,25, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,34,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=38,43,41,42, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=36,46,39,40, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=50,55,53,54, &end
#
#  chirality for residue 4 atoms:  CB CD1 CD2 HG
 &rst iat=52,57,61,56, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=48,65,51,52, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=69,74,72,73, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=71,77,75,76, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=67,80,70,71, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=84,89,87,88, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=86,92,90,91, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=82,97,85,86, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=101,106,104,105, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=103,109,107,108, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=99,112,102,103, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=116,121,119,120, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=114,132,117,118, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=134,142,137,138, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=146,151,149,150, &end
#
#  chirality for residue 10 atoms:  CB CD1 CD2 HG
 &rst iat=148,153,157,152, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=144,161,147,148, &end
#
#  chirality for residue 11 atoms:  N C HA2 HA3
 &rst iat=163,168,166,167, &end
#
#  chirality for residue 12 atoms:  N C HA2 HA3
 &rst iat=170,175,173,174, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=179,184,182,183, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=181,187,185,186, &end
#
#  chirality for residue 13 atoms:  CG NE HD2 HD3
 &rst iat=184,190,188,189, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=177,199,180,181, &end
#
#  chirality for residue 14 atoms:  CA SG HB2 HB3
 &rst iat=203,208,206,207, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=201,210,204,205, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=214,219,217,218, &end
#
#  chirality for residue 15 atoms:  CB CD1 CD2 HG
 &rst iat=216,221,225,220, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=212,229,215,216, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=231,239,234,235, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=243,248,246,247, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=241,259,244,245, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=263,268,266,267, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=261,276,264,265, &end
#
#  chirality for residue 19 atoms:  N C HA2 HA3
 &rst iat=278,283,281,282, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=295,289,293,294, &end
#
#  chirality for residue 20 atoms:  CB CD HG2 HG3
 &rst iat=292,286,290,291, &end
#
#  chirality for residue 20 atoms:  CG N HD2 HD3
 &rst iat=289,285,287,288, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=285,297,296,292, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=301,306,304,305, &end
#
#  chirality for residue 21 atoms:  CB CD1 CD2 HG
 &rst iat=303,308,312,307, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=299,316,302,303, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=320,325,323,324, &end
#
#  chirality for residue 22 atoms:  CB SD HG2 HG3
 &rst iat=322,328,326,327, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=318,333,321,322, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=337,342,340,341, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=335,354,338,339, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=358,363,361,362, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=356,369,359,360, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=371,379,374,375, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=383,388,386,387, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=385,391,389,390, &end
#
#  chirality for residue 26 atoms:  CD NZ HE2 HE3
 &rst iat=391,397,395,396, &end
#
#  chirality for residue 26 atoms:  CG CE HD2 HD3
 &rst iat=388,394,392,393, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=381,401,384,385, &end
#
#  chirality for residue 27 atoms:  CA CG2 CG1 HB
 &rst iat=405,409,413,408, &end
#
#  chirality for residue 27 atoms:  CB CD1 HG12 HG13
 &rst iat=407,416,414,415, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=403,420,406,407, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=424,429,427,428, &end
#
#  chirality for residue 28 atoms:  CB CD1 CD2 HG
 &rst iat=426,431,435,430, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=422,439,425,426, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=443,448,446,447, &end
#
#  chirality for residue 29 atoms:  CB CD HG2 HG3
 &rst iat=445,451,449,450, &end
#
#  chirality for residue 29 atoms:  CD NZ HE2 HE3
 &rst iat=451,457,455,456, &end
#
#  chirality for residue 29 atoms:  CG CE HD2 HD3
 &rst iat=448,454,452,453, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=441,461,444,445, &end
#
#  chirality for residue 30 atoms:  CA CG2 CG1 HB
 &rst iat=465,469,473,468, &end
#
#  chirality for residue 30 atoms:  CB CD1 HG12 HG13
 &rst iat=467,476,474,475, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=463,480,466,467, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=484,489,487,488, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=482,504,485,486, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=508,513,511,512, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=506,516,509,510, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=528,522,526,527, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=525,519,523,524, &end
#
#  chirality for residue 33 atoms:  CG N HD2 HD3
 &rst iat=522,518,520,521, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=518,530,529,525, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=534,539,537,538, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=532,541,535,536, &end
#
#  chirality for residue 35 atoms:  CA OG HB2 HB3
 &rst iat=545,550,548,549, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=543,552,546,547, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=556,561,559,560, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=558,564,562,563, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=564,570,568,569, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=561,567,565,566, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=554,574,557,558, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=578,583,581,582, &end
#
#  chirality for residue 37 atoms:  CB SD HG2 HG3
 &rst iat=580,586,584,585, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=576,591,579,580, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=595,600,598,599, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=593,612,596,597, &end
#
#  chirality for residue 39 atoms:  CA CG2 OG1 HB
 &rst iat=616,620,624,619, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=614,626,617,618, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=630,635,633,634, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=628,637,631,632, &end
#
#  chirality for residue 41 atoms:  CA CG2 CG1 HB
 &rst iat=641,645,649,644, &end
#
#  chirality for residue 41 atoms:  CB CD1 HG12 HG13
 &rst iat=643,652,650,651, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=639,656,642,643, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=668,662,666,667, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=665,659,663,664, &end
#
#  chirality for residue 42 atoms:  CG N HD2 HD3
 &rst iat=662,658,660,661, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=658,670,669,665, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=674,679,677,678, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=672,684,675,676, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=688,693,691,692, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=686,696,689,690, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=700,705,703,704, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=702,708,706,707, &end
#
#  chirality for residue 45 atoms:  CD NZ HE2 HE3
 &rst iat=708,714,712,713, &end
#
#  chirality for residue 45 atoms:  CG CE HD2 HD3
 &rst iat=705,711,709,710, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=698,718,701,702, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=730,724,728,729, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=727,721,725,726, &end
#
#  chirality for residue 46 atoms:  CG N HD2 HD3
 &rst iat=724,720,722,723, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=720,732,731,727, &end
#
#  chirality for residue 47 atoms:  N C HA2 HA3
 &rst iat=734,739,737,738, &end
#
#  chirality for residue 48 atoms:  N C HA2 HA3
 &rst iat=741,746,744,745, &end
#
#  chirality for residue 49 atoms:  CA OG HB2 HB3
 &rst iat=750,755,753,754, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=748,757,751,752, &end
#
#  chirality for residue 50 atoms:  CA OG HB2 HB3
 &rst iat=761,766,764,765, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=759,768,762,763, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=772,777,775,776, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=774,780,778,779, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=770,785,773,774, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=787,795,790,791, &end
#
#  chirality for residue 53 atoms:  CA CG2 OG1 HB
 &rst iat=799,803,807,802, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=797,809,800,801, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=813,818,816,817, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=815,821,819,820, &end
#
#  chirality for residue 54 atoms:  CD NZ HE2 HE3
 &rst iat=821,827,825,826, &end
#
#  chirality for residue 54 atoms:  CG CE HD2 HD3
 &rst iat=818,824,822,823, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=811,831,814,815, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=835,840,838,839, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=837,843,841,842, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=833,846,836,837, &end
#
#  chirality for residue 56 atoms:  CA CG2 CG1 HB
 &rst iat=850,854,858,853, &end
#
#  chirality for residue 56 atoms:  CB CD1 HG12 HG13
 &rst iat=852,861,859,860, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=848,865,851,852, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=869,874,872,873, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=871,877,875,876, &end
#
#  chirality for residue 57 atoms:  CD NZ HE2 HE3
 &rst iat=877,883,881,882, &end
#
#  chirality for residue 57 atoms:  CG CE HD2 HD3
 &rst iat=874,880,878,879, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=867,887,870,871, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=899,893,897,898, &end
#
#  chirality for residue 58 atoms:  CB CD HG2 HG3
 &rst iat=896,890,894,895, &end
#
#  chirality for residue 58 atoms:  CG N HD2 HD3
 &rst iat=893,889,891,892, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=889,901,900,896, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=905,910,908,909, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=907,913,911,912, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=903,918,906,907, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=922,927,925,926, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=924,930,928,929, &end
#
#  chirality for residue 60 atoms:  CD NZ HE2 HE3
 &rst iat=930,936,934,935, &end
#
#  chirality for residue 60 atoms:  CG CE HD2 HD3
 &rst iat=927,933,931,932, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=920,940,923,924, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=944,949,947,948, &end
#
#  chirality for residue 61 atoms:  CB CD1 CD2 HG
 &rst iat=946,951,955,950, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=942,959,945,946, &end
#
#  chirality for residue 62 atoms:  N C HA2 HA3
 &rst iat=961,966,964,965, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=970,975,973,974, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=972,978,976,977, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=968,981,971,972, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=985,990,988,989, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=983,993,986,987, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=997,1002,1000,1001, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=999,1005,1003,1004, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=995,1008,998,999, &end
#
#  chirality for residue 66 atoms:  CA OG HB2 HB3
 &rst iat=1012,1017,1015,1016, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1010,1019,1013,1014, &end
#
#  chirality for residue 67 atoms:  CA CG2 CG1 HB
 &rst iat=1023,1027,1031,1026, &end
#
#  chirality for residue 67 atoms:  CB CD1 HG12 HG13
 &rst iat=1025,1034,1032,1033, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1021,1038,1024,1025, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1050,1044,1048,1049, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1047,1041,1045,1046, &end
#
#  chirality for residue 68 atoms:  CG N HD2 HD3
 &rst iat=1044,1040,1042,1043, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1040,1052,1051,1047, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1056,1061,1059,1060, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1058,1064,1062,1063, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1054,1067,1057,1058, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1071,1076,1074,1075, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1073,1079,1077,1078, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1069,1082,1072,1073, &end
#
#  chirality for residue 71 atoms:  CA CG2 CG1 HB
 &rst iat=1086,1090,1094,1089, &end
#
#  chirality for residue 71 atoms:  CB CD1 HG12 HG13
 &rst iat=1088,1097,1095,1096, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1084,1101,1087,1088, &end
#
#  chirality for residue 72 atoms:  CA CG2 CG1 HB
 &rst iat=1105,1109,1113,1108, &end
#
#  chirality for residue 72 atoms:  CB CD1 HG12 HG13
 &rst iat=1107,1116,1114,1115, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1103,1120,1106,1107, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1124,1129,1127,1128, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1122,1134,1125,1126, &end
#
#  chirality for residue 74 atoms:  N C HA2 HA3
 &rst iat=1136,1141,1139,1140, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1145,1150,1148,1149, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1147,1153,1151,1152, &end
#
#  chirality for residue 75 atoms:  CD NZ HE2 HE3
 &rst iat=1153,1159,1157,1158, &end
#
#  chirality for residue 75 atoms:  CG CE HD2 HD3
 &rst iat=1150,1156,1154,1155, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1143,1163,1146,1147, &end
#
#  chirality for residue 76 atoms:  CA SG HB2 HB3
 &rst iat=1167,1172,1170,1171, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1165,1174,1168,1169, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1178,1183,1181,1182, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1176,1194,1179,1180, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1198,1203,1201,1202, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1196,1214,1199,1200, &end
#
#  chirality for residue 79 atoms:  CA CG2 CG1 HB
 &rst iat=1218,1222,1226,1221, &end
#
#  chirality for residue 79 atoms:  CB CD1 HG12 HG13
 &rst iat=1220,1229,1227,1228, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1216,1233,1219,1220, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1237,1242,1240,1241, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1235,1250,1238,1239, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1254,1259,1257,1258, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1252,1271,1255,1256, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1275,1280,1278,1279, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1277,1283,1281,1282, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1273,1288,1276,1277, &end
#
#  chirality for residue 83 atoms:  N C HA2 HA3
 &rst iat=1290,1295,1293,1294, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1299,1304,1302,1303, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1297,1319,1300,1301, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1323,1328,1326,1327, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1325,1331,1329,1330, &end
#
#  chirality for residue 85 atoms:  CD NZ HE2 HE3
 &rst iat=1331,1337,1335,1336, &end
#
#  chirality for residue 85 atoms:  CG CE HD2 HD3
 &rst iat=1328,1334,1332,1333, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1321,1341,1324,1325, &end
#
#  chirality for residue 86 atoms:  CA OG HB2 HB3
 &rst iat=1345,1350,1348,1349, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1343,1352,1346,1347, &end
#
#  chirality for residue 87 atoms:  CA OG HB2 HB3
 &rst iat=1356,1361,1359,1360, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1354,1363,1357,1358, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1367,1372,1370,1371, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1365,1387,1368,1369, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1391,1396,1394,1395, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1389,1399,1392,1393, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1403,1408,1406,1407, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1405,1411,1409,1410, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1401,1414,1404,1405, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1418,1423,1421,1422, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1416,1438,1419,1420, &end
#
#  chirality for residue 92 atoms:  CA CG1 CG2 HB
 &rst iat=1442,1446,1450,1445, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1440,1454,1443,1444, &end
#
#  chirality for residue 93 atoms:  N C HA2 HA3
 &rst iat=1456,1461,1459,1460, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1465,1470,1468,1469, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1463,1482,1466,1467, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1486,1491,1489,1490, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1484,1494,1487,1488, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1498,1503,1501,1502, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1500,1506,1504,1505, &end
#
#  chirality for residue 96 atoms:  CG NE HD2 HD3
 &rst iat=1503,1509,1507,1508, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1496,1518,1499,1500, &end
#
#  chirality for residue 97 atoms:  CA CG2 CG1 HB
 &rst iat=1522,1526,1530,1525, &end
#
#  chirality for residue 97 atoms:  CB CD1 HG12 HG13
 &rst iat=1524,1533,1531,1532, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1520,1537,1523,1524, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1541,1546,1544,1545, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1543,1549,1547,1548, &end
#
#  chirality for residue 98 atoms:  CG NE HD2 HD3
 &rst iat=1546,1552,1550,1551, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1539,1561,1542,1543, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1563,1571,1566,1567, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1575,1580,1578,1579, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1573,1592,1576,1577, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1596,1601,1599,1600, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1594,1606,1597,1598, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1610,1615,1613,1614, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1612,1618,1616,1617, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1608,1621,1611,1612, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1625,1630,1628,1629, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1627,1633,1631,1632, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1623,1636,1626,1627, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1640,1645,1643,1644, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1638,1650,1641,1642, &end
#
#  chirality for residue 105 atoms:  CA CG2 CG1 HB
 &rst iat=1654,1658,1662,1657, &end
#
#  chirality for residue 105 atoms:  CB CD1 HG12 HG13
 &rst iat=1656,1665,1663,1664, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1652,1669,1655,1656, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1671,1679,1674,1675, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1683,1688,1686,1687, &end
#
#  chirality for residue 107 atoms:  CB SD HG2 HG3
 &rst iat=1685,1691,1689,1690, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1681,1696,1684,1685, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1700,1705,1703,1704, &end
#
#  chirality for residue 108 atoms:  CB CD HG2 HG3
 &rst iat=1702,1708,1706,1707, &end
#
#  chirality for residue 108 atoms:  CD NZ HE2 HE3
 &rst iat=1708,1714,1712,1713, &end
#
#  chirality for residue 108 atoms:  CG CE HD2 HD3
 &rst iat=1705,1711,1709,1710, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1698,1718,1701,1702, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1722,1727,1725,1726, &end
#
#  chirality for residue 109 atoms:  CB CD HG2 HG3
 &rst iat=1724,1730,1728,1729, &end
#
#  chirality for residue 109 atoms:  CD NZ HE2 HE3
 &rst iat=1730,1736,1734,1735, &end
#
#  chirality for residue 109 atoms:  CG CE HD2 HD3
 &rst iat=1727,1733,1731,1732, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1720,1740,1723,1724, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1744,1749,1747,1748, &end
#
#  chirality for residue 110 atoms:  CB CD HG2 HG3
 &rst iat=1746,1752,1750,1751, &end
#
#  chirality for residue 110 atoms:  CG NE HD2 HD3
 &rst iat=1749,1755,1753,1754, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1742,1764,1745,1746, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1768,1773,1771,1772, &end
#
#  chirality for residue 111 atoms:  CB CD1 CD2 HG
 &rst iat=1770,1775,1779,1774, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1766,1783,1769,1770, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1785,1793,1788,1789, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1797,1802,1800,1801, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1795,1807,1798,1799, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1811,1816,1814,1815, &end
#
#  chirality for residue 114 atoms:  CB CD1 CD2 HG
 &rst iat=1813,1818,1822,1817, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1809,1826,1812,1813, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1830,1835,1833,1834, &end
#
#  chirality for residue 115 atoms:  CB CD HG2 HG3
 &rst iat=1832,1838,1836,1837, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1828,1841,1831,1832, &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=38,36,34,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=50,48,46,38, &end
#
#  trans-omega constraint for residue 5
 &rst iat=69,67,65,50, &end
#
#  trans-omega constraint for residue 6
 &rst iat=84,82,80,69, &end
#
#  trans-omega constraint for residue 7
 &rst iat=101,99,97,84, &end
#
#  trans-omega constraint for residue 8
 &rst iat=116,114,112,101, &end
#
#  trans-omega constraint for residue 9
 &rst iat=136,134,132,116, &end
#
#  trans-omega constraint for residue 10
 &rst iat=146,144,142,136, &end
#
#  trans-omega constraint for residue 11
 &rst iat=165,163,161,146, &end
#
#  trans-omega constraint for residue 12
 &rst iat=172,170,168,165, &end
#
#  trans-omega constraint for residue 13
 &rst iat=179,177,175,172, &end
#
#  trans-omega constraint for residue 14
 &rst iat=203,201,199,179, &end
#
#  trans-omega constraint for residue 15
 &rst iat=214,212,210,203, &end
#
#  trans-omega constraint for residue 16
 &rst iat=233,231,229,214, &end
#
#  trans-omega constraint for residue 17
 &rst iat=243,241,239,233, &end
#
#  trans-omega constraint for residue 18
 &rst iat=263,261,259,243, &end
#
#  trans-omega constraint for residue 19
 &rst iat=280,278,276,263, &end
#
#  trans-omega constraint for residue 20
 &rst iat=295,285,283,280, &end
#
#  trans-omega constraint for residue 21
 &rst iat=301,299,297,295, &end
#
#  trans-omega constraint for residue 22
 &rst iat=320,318,316,301, &end
#
#  trans-omega constraint for residue 23
 &rst iat=337,335,333,320, &end
#
#  trans-omega constraint for residue 24
 &rst iat=358,356,354,337, &end
#
#  trans-omega constraint for residue 25
 &rst iat=373,371,369,358, &end
#
#  trans-omega constraint for residue 26
 &rst iat=383,381,379,373, &end
#
#  trans-omega constraint for residue 27
 &rst iat=405,403,401,383, &end
#
#  trans-omega constraint for residue 28
 &rst iat=424,422,420,405, &end
#
#  trans-omega constraint for residue 29
 &rst iat=443,441,439,424, &end
#
#  trans-omega constraint for residue 30
 &rst iat=465,463,461,443, &end
#
#  trans-omega constraint for residue 31
 &rst iat=484,482,480,465, &end
#
#  trans-omega constraint for residue 32
 &rst iat=508,506,504,484, &end
#
#  trans-omega constraint for residue 33
 &rst iat=528,518,516,508, &end
#
#  trans-omega constraint for residue 34
 &rst iat=534,532,530,528, &end
#
#  trans-omega constraint for residue 35
 &rst iat=545,543,541,534, &end
#
#  trans-omega constraint for residue 36
 &rst iat=556,554,552,545, &end
#
#  trans-omega constraint for residue 37
 &rst iat=578,576,574,556, &end
#
#  trans-omega constraint for residue 38
 &rst iat=595,593,591,578, &end
#
#  trans-omega constraint for residue 39
 &rst iat=616,614,612,595, &end
#
#  trans-omega constraint for residue 40
 &rst iat=630,628,626,616, &end
#
#  trans-omega constraint for residue 41
 &rst iat=641,639,637,630, &end
#
#  trans-omega constraint for residue 42
 &rst iat=668,658,656,641, &end
#
#  trans-omega constraint for residue 43
 &rst iat=674,672,670,668, &end
#
#  trans-omega constraint for residue 44
 &rst iat=688,686,684,674, &end
#
#  trans-omega constraint for residue 45
 &rst iat=700,698,696,688, &end
#
#  trans-omega constraint for residue 46
 &rst iat=730,720,718,700, &end
#
#  trans-omega constraint for residue 47
 &rst iat=736,734,732,730, &end
#
#  trans-omega constraint for residue 48
 &rst iat=743,741,739,736, &end
#
#  trans-omega constraint for residue 49
 &rst iat=750,748,746,743, &end
#
#  trans-omega constraint for residue 50
 &rst iat=761,759,757,750, &end
#
#  trans-omega constraint for residue 51
 &rst iat=772,770,768,761, &end
#
#  trans-omega constraint for residue 52
 &rst iat=789,787,785,772, &end
#
#  trans-omega constraint for residue 53
 &rst iat=799,797,795,789, &end
#
#  trans-omega constraint for residue 54
 &rst iat=813,811,809,799, &end
#
#  trans-omega constraint for residue 55
 &rst iat=835,833,831,813, &end
#
#  trans-omega constraint for residue 56
 &rst iat=850,848,846,835, &end
#
#  trans-omega constraint for residue 57
 &rst iat=869,867,865,850, &end
#
#  trans-omega constraint for residue 58
 &rst iat=899,889,887,869, &end
#
#  trans-omega constraint for residue 59
 &rst iat=905,903,901,899, &end
#
#  trans-omega constraint for residue 60
 &rst iat=922,920,918,905, &end
#
#  trans-omega constraint for residue 61
 &rst iat=944,942,940,922, &end
#
#  trans-omega constraint for residue 62
 &rst iat=963,961,959,944, &end
#
#  trans-omega constraint for residue 63
 &rst iat=970,968,966,963, &end
#
#  trans-omega constraint for residue 64
 &rst iat=985,983,981,970, &end
#
#  trans-omega constraint for residue 65
 &rst iat=997,995,993,985, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1012,1010,1008,997, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1023,1021,1019,1012, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1050,1040,1038,1023, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1056,1054,1052,1050, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1071,1069,1067,1056, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1086,1084,1082,1071, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1105,1103,1101,1086, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1124,1122,1120,1105, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1138,1136,1134,1124, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1145,1143,1141,1138, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1167,1165,1163,1145, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1178,1176,1174,1167, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1198,1196,1194,1178, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1218,1216,1214,1198, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1237,1235,1233,1218, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1254,1252,1250,1237, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1275,1273,1271,1254, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1292,1290,1288,1275, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1299,1297,1295,1292, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1323,1321,1319,1299, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1345,1343,1341,1323, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1356,1354,1352,1345, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1367,1365,1363,1356, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1391,1389,1387,1367, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1403,1401,1399,1391, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1418,1416,1414,1403, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1442,1440,1438,1418, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1458,1456,1454,1442, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1465,1463,1461,1458, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1486,1484,1482,1465, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1498,1496,1494,1486, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1522,1520,1518,1498, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1541,1539,1537,1522, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1565,1563,1561,1541, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1575,1573,1571,1565, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1596,1594,1592,1575, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1610,1608,1606,1596, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1625,1623,1621,1610, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1640,1638,1636,1625, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1654,1652,1650,1640, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1673,1671,1669,1654, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1683,1681,1679,1673, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1700,1698,1696,1683, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1722,1720,1718,1700, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1744,1742,1740,1722, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1768,1766,1764,1744, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1787,1785,1783,1768, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1797,1795,1793,1787, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1811,1809,1807,1797, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1830,1828,1826,1811, &end
# 1843 atoms read from pdb file EAF3_1.pdb.
# 9 ALA PHI:  (8 PHE C)-(9 ALA N)-(9 ALA CA)-(9 ALA C) -150.5 -70.5
 &rst     iat =   132,   134,   136,   142,
   r1 = -151.5, r2 = -150.5, r3 = -70.5, r4 = -69.5,
   rk2 =   50.0, rk3 =   50.0,    &end

# 9 ALA PSI:  (9 ALA N)-(9 ALA CA)-(9 ALA C)-(10 LEU N)  95.0 175.0
 &rst     iat =   134,   136,   142,   144,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 13 ARG PHI:  (12 GLY C)-(13 ARG N)-(13 ARG CA)-(13 ARG C) -146.0 -66.0
 &rst     iat =   175,   177,   179,   199,
   r1 = -147.0, r2 = -146.0, r3 = -66.0, r4 = -65.0,
 &end

# 13 ARG PSI:  (13 ARG N)-(13 ARG CA)-(13 ARG C)-(14 CYS N)  95.0 175.0
 &rst     iat =   177,   179,   199,   201,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 14 CYS PHI:  (13 ARG C)-(14 CYS N)-(14 CYS CA)-(14 CYS C) -170.0 -70.0
 &rst     iat =   199,   201,   203,   210,
   r1 = -171.0, r2 = -170.0, r3 = -70.0, r4 = -69.0,
 &end

# 14 CYS PSI:  (14 CYS N)-(14 CYS CA)-(14 CYS C)-(15 LEU N) 108.8 188.8
 &rst     iat =   201,   203,   210,   212,
   r1 = 107.8, r2 = 108.8, r3 = 188.8, r4 = 189.8,
 &end

# 15 LEU PHI:  (14 CYS C)-(15 LEU N)-(15 LEU CA)-(15 LEU C) -179.0 -99.0
 &rst     iat =   210,   212,   214,   229,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 15 LEU PSI:  (15 LEU N)-(15 LEU CA)-(15 LEU C)-(16 ALA N)  95.0 175.0
 &rst     iat =   212,   214,   229,   231,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 16 ALA PHI:  (15 LEU C)-(16 ALA N)-(16 ALA CA)-(16 ALA C) -179.0 -99.0
 &rst     iat =   229,   231,   233,   239,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 16 ALA PSI:  (16 ALA N)-(16 ALA CA)-(16 ALA C)-(17 PHE N)  95.0 175.0
 &rst     iat =   231,   233,   239,   241,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 17 PHE PHI:  (16 ALA C)-(17 PHE N)-(17 PHE CA)-(17 PHE C) -151.6 -71.6
 &rst     iat =   239,   241,   243,   259,
   r1 = -152.6, r2 = -151.6, r3 = -71.6, r4 = -70.6,
 &end

# 17 PHE PSI:  (17 PHE N)-(17 PHE CA)-(17 PHE C)-(18 HIE N)  82.4 162.4
 &rst     iat =   241,   243,   259,   261,
   r1 =  81.4, r2 =  82.4, r3 = 162.4, r4 = 163.4,
 &end

# 21 LEU PHI:  (20 PRO C)-(21 LEU N)-(21 LEU CA)-(21 LEU C) -179.0 -99.0
 &rst     iat =   297,   299,   301,   316,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 21 LEU PSI:  (21 LEU N)-(21 LEU CA)-(21 LEU C)-(22 MET N)  85.0 185.0
 &rst     iat =   299,   301,   316,   318,
   r1 =  84.0, r2 =  85.0, r3 = 185.0, r4 = 186.0,
 &end

# 22 MET PHI:  (21 LEU C)-(22 MET N)-(22 MET CA)-(22 MET C) -167.0 -87.0
 &rst     iat =   316,   318,   320,   333,
   r1 = -168.0, r2 = -167.0, r3 = -87.0, r4 = -86.0,
 &end

# 22 MET PSI:  (22 MET N)-(22 MET CA)-(22 MET C)-(23 TYR N)  98.0 178.0
 &rst     iat =   318,   320,   333,   335,
   r1 =  97.0, r2 =  98.0, r3 = 178.0, r4 = 179.0,
 &end

# 23 TYR PHI:  (22 MET C)-(23 TYR N)-(23 TYR CA)-(23 TYR C) -179.0 -99.0
 &rst     iat =   333,   335,   337,   354,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 23 TYR PSI:  (23 TYR N)-(23 TYR CA)-(23 TYR C)-(24 GLU N)  95.0 175.0
 &rst     iat =   335,   337,   354,   356,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 24 GLU PHI:  (23 TYR C)-(24 GLU N)-(24 GLU CA)-(24 GLU C) -136.7 -56.7
 &rst     iat =   354,   356,   358,   369,
   r1 = -137.7, r2 = -136.7, r3 = -56.7, r4 = -55.7,
 &end

# 24 GLU PSI:  (24 GLU N)-(24 GLU CA)-(24 GLU C)-(25 ALA N)  80.9 160.9
 &rst     iat =   356,   358,   369,   371,
   r1 =  79.9, r2 =  80.9, r3 = 160.9, r4 = 161.9,
 &end

# 25 ALA PHI:  (24 GLU C)-(25 ALA N)-(25 ALA CA)-(25 ALA C) -179.0 -99.0
 &rst     iat =   369,   371,   373,   379,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 25 ALA PSI:  (25 ALA N)-(25 ALA CA)-(25 ALA C)-(26 LYS N)  95.0 175.0
 &rst     iat =   371,   373,   379,   381,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 26 LYS PHI:  (25 ALA C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -157.6 -77.6
 &rst     iat =   379,   381,   383,   401,
   r1 = -158.6, r2 = -157.6, r3 = -77.6, r4 = -76.6,
 &end

# 26 LYS PSI:  (26 LYS N)-(26 LYS CA)-(26 LYS C)-(27 ILE N)  82.4 162.4
 &rst     iat =   381,   383,   401,   403,
   r1 =  81.4, r2 =  82.4, r3 = 162.4, r4 = 163.4,
 &end

# 27 ILE PHI:  (26 LYS C)-(27 ILE N)-(27 ILE CA)-(27 ILE C) -120.2 -40.2
 &rst     iat =   401,   403,   405,   420,
   r1 = -121.2, r2 = -120.2, r3 = -40.2, r4 = -39.2,
 &end

# 27 ILE PSI:  (27 ILE N)-(27 ILE CA)-(27 ILE C)-(28 LEU N)  95.0 175.0
 &rst     iat =   403,   405,   420,   422,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 29 LYS PHI:  (28 LEU C)-(29 LYS N)-(29 LYS CA)-(29 LYS C) -174.0 -94.0
 &rst     iat =   439,   441,   443,   461,
   r1 = -175.0, r2 = -174.0, r3 = -94.0, r4 = -93.0,
 &end

# 29 LYS PSI:  (29 LYS N)-(29 LYS CA)-(29 LYS C)-(30 ILE N) 107.0 187.0
 &rst     iat =   441,   443,   461,   463,
   r1 = 106.0, r2 = 107.0, r3 = 187.0, r4 = 188.0,
 &end

# 30 ILE PHI:  (29 LYS C)-(30 ILE N)-(30 ILE CA)-(30 ILE C) -179.0 -99.0
 &rst     iat =   461,   463,   465,   480,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 30 ILE PSI:  (30 ILE N)-(30 ILE CA)-(30 ILE C)-(31 TRP N)  85.0 165.0
 &rst     iat =   463,   465,   480,   482,
   r1 =  84.0, r2 =  85.0, r3 = 165.0, r4 = 166.0,
 &end

# 31 TRP PHI:  (30 ILE C)-(31 TRP N)-(31 TRP CA)-(31 TRP C) -175.0 -75.0
 &rst     iat =   480,   482,   484,   504,
   r1 = -176.0, r2 = -175.0, r3 = -75.0, r4 = -74.0,
 &end

# 31 TRP PSI:  (31 TRP N)-(31 TRP CA)-(31 TRP C)-(32 ASP N)  95.0 175.0
 &rst     iat =   482,   484,   504,   506,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 32 ASP PHI:  (31 TRP C)-(32 ASP N)-(32 ASP CA)-(32 ASP C) -179.0 -99.0
 &rst     iat =   504,   506,   508,   516,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 32 ASP PSI:  (32 ASP N)-(32 ASP CA)-(32 ASP C)-(33 PRO N)  95.0 175.0
 &rst     iat =   506,   508,   516,   518,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 34 SER PHI:  (33 PRO C)-(34 SER N)-(34 SER CA)-(34 SER C) -100.0 -20.0
 &rst     iat =   530,   532,   534,   541,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 34 SER PSI:  (34 SER N)-(34 SER CA)-(34 SER C)-(35 SER N) -90.0 -10.0
 &rst     iat =   532,   534,   541,   543,
   r1 = -91.0, r2 = -90.0, r3 = -10.0, r4 =  -9.0,
 &end

# 35 SER PHI:  (34 SER C)-(35 SER N)-(35 SER CA)-(35 SER C) -136.0 -56.0
 &rst     iat =   541,   543,   545,   552,
   r1 = -137.0, r2 = -136.0, r3 = -56.0, r4 = -55.0,
 &end

# 35 SER PSI:  (35 SER N)-(35 SER CA)-(35 SER C)-(36 LYS N) -44.0  36.0
 &rst     iat =   543,   545,   552,   554,
   r1 = -45.0, r2 = -44.0, r3 =  36.0, r4 =  37.0,
 &end

# 37 MET PHI:  (36 LYS C)-(37 MET N)-(37 MET CA)-(37 MET C) -179.0 -99.0
 &rst     iat =   574,   576,   578,   591,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 37 MET PSI:  (37 MET N)-(37 MET CA)-(37 MET C)-(38 TYR N) 113.0 193.0
 &rst     iat =   576,   578,   591,   593,
   r1 = 112.0, r2 = 113.0, r3 = 193.0, r4 = 194.0,
 &end

# 38 TYR PHI:  (37 MET C)-(38 TYR N)-(38 TYR CA)-(38 TYR C) -169.0 -89.0
 &rst     iat =   591,   593,   595,   612,
   r1 = -170.0, r2 = -169.0, r3 = -89.0, r4 = -88.0,
 &end

# 38 TYR PSI:  (38 TYR N)-(38 TYR CA)-(38 TYR C)-(39 THR N)  92.0 192.0
 &rst     iat =   593,   595,   612,   614,
   r1 =  91.0, r2 =  92.0, r3 = 192.0, r4 = 193.0,
 &end

# 39 THR PHI:  (38 TYR C)-(39 THR N)-(39 THR CA)-(39 THR C) -179.0 -99.0
 &rst     iat =   612,   614,   616,   626,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 39 THR PSI:  (39 THR N)-(39 THR CA)-(39 THR C)-(40 SER N)  95.0 175.0
 &rst     iat =   614,   616,   626,   628,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 40 SER PHI:  (39 THR C)-(40 SER N)-(40 SER CA)-(40 SER C) -162.0 -82.0
 &rst     iat =   626,   628,   630,   637,
   r1 = -163.0, r2 = -162.0, r3 = -82.0, r4 = -81.0,
 &end

# 40 SER PSI:  (40 SER N)-(40 SER CA)-(40 SER C)-(41 ILE N)  97.0 177.0
 &rst     iat =   628,   630,   637,   639,
   r1 =  96.0, r2 =  97.0, r3 = 177.0, r4 = 178.0,
 &end

# 41 ILE PHI:  (40 SER C)-(41 ILE N)-(41 ILE CA)-(41 ILE C) -179.0 -99.0
 &rst     iat =   637,   639,   641,   656,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 41 ILE PSI:  (41 ILE N)-(41 ILE CA)-(41 ILE C)-(42 PRO N)  95.0 175.0
 &rst     iat =   639,   641,   656,   658,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 56 ILE PHI:  (55 GLU C)-(56 ILE N)-(56 ILE CA)-(56 ILE C) -144.0 -64.0
 &rst     iat =   846,   848,   850,   865,
   r1 = -145.0, r2 = -144.0, r3 = -64.0, r4 = -63.0,
 &end

# 56 ILE PSI:  (56 ILE N)-(56 ILE CA)-(56 ILE C)-(57 LYS N)  95.0 175.0
 &rst     iat =   848,   850,   865,   867,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 57 LYS PHI:  (56 ILE C)-(57 LYS N)-(57 LYS CA)-(57 LYS C) -148.8 -68.8
 &rst     iat =   865,   867,   869,   887,
   r1 = -149.8, r2 = -148.8, r3 = -68.8, r4 = -67.8,
 &end

# 57 LYS PSI:  (57 LYS N)-(57 LYS CA)-(57 LYS C)-(58 PRO N)  95.0 175.0
 &rst     iat =   867,   869,   887,   889,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 59 GLN PHI:  (58 PRO C)-(59 GLN N)-(59 GLN CA)-(59 GLN C) -155.6 -75.6
 &rst     iat =   901,   903,   905,   918,
   r1 = -156.6, r2 = -155.6, r3 = -75.6, r4 = -74.6,
 &end

# 59 GLN PSI:  (59 GLN N)-(59 GLN CA)-(59 GLN C)-(60 LYS N) 110.0 190.0
 &rst     iat =   903,   905,   918,   920,
   r1 = 109.0, r2 = 110.0, r3 = 190.0, r4 = 191.0,
 &end

# 69 GLU PHI:  (68 PRO C)-(69 GLU N)-(69 GLU CA)-(69 GLU C) -105.4 -25.4
 &rst     iat =  1052,  1054,  1056,  1067,
   r1 = -106.4, r2 = -105.4, r3 = -25.4, r4 = -24.4,
 &end

# 69 GLU PSI:  (69 GLU N)-(69 GLU CA)-(69 GLU C)-(70 GLU N) -73.4   6.6
 &rst     iat =  1054,  1056,  1067,  1069,
   r1 = -74.4, r2 = -73.4, r3 =   6.6, r4 =   7.6,
 &end

# 70 GLU PHI:  (69 GLU C)-(70 GLU N)-(70 GLU CA)-(70 GLU C) -114.7 -34.7
 &rst     iat =  1067,  1069,  1071,  1082,
   r1 = -115.7, r2 = -114.7, r3 = -34.7, r4 = -33.7,
 &end

# 70 GLU PSI:  (70 GLU N)-(70 GLU CA)-(70 GLU C)-(71 ILE N) -65.2  14.8
 &rst     iat =  1069,  1071,  1082,  1084,
   r1 = -66.2, r2 = -65.2, r3 =  14.8, r4 =  15.8,
 &end

# 71 ILE PHI:  (70 GLU C)-(71 ILE N)-(71 ILE CA)-(71 ILE C) -137.7 -57.7
 &rst     iat =  1082,  1084,  1086,  1101,
   r1 = -138.7, r2 = -137.7, r3 = -57.7, r4 = -56.7,
 &end

# 71 ILE PSI:  (71 ILE N)-(71 ILE CA)-(71 ILE C)-(72 ILE N) -55.1  24.9
 &rst     iat =  1084,  1086,  1101,  1103,
   r1 = -56.1, r2 = -55.1, r3 =  24.9, r4 =  25.9,
 &end

# 72 ILE PHI:  (71 ILE C)-(72 ILE N)-(72 ILE CA)-(72 ILE C) -100.0 -20.0
 &rst     iat =  1101,  1103,  1105,  1120,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 72 ILE PSI:  (72 ILE N)-(72 ILE CA)-(72 ILE C)-(73 ASN N) -90.0 -10.0
 &rst     iat =  1103,  1105,  1120,  1122,
   r1 = -91.0, r2 = -90.0, r3 = -10.0, r4 =  -9.0,
 &end

# 76 CYS PHI:  (75 LYS C)-(76 CYS N)-(76 CYS CA)-(76 CYS C) -179.0 -99.0
 &rst     iat =  1163,  1165,  1167,  1174,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 76 CYS PSI:  (76 CYS N)-(76 CYS CA)-(76 CYS C)-(77 PHE N) 104.0 184.0
 &rst     iat =  1165,  1167,  1174,  1176,
   r1 = 103.0, r2 = 104.0, r3 = 184.0, r4 = 185.0,
 &end

# 77 PHE PHI:  (76 CYS C)-(77 PHE N)-(77 PHE CA)-(77 PHE C) -179.0 -99.0
 &rst     iat =  1174,  1176,  1178,  1194,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 77 PHE PSI:  (77 PHE N)-(77 PHE CA)-(77 PHE C)-(78 PHE N)  85.0 165.0
 &rst     iat =  1176,  1178,  1194,  1196,
   r1 =  84.0, r2 =  85.0, r3 = 165.0, r4 = 166.0,
 &end

# 78 PHE PHI:  (77 PHE C)-(78 PHE N)-(78 PHE CA)-(78 PHE C) -140.0 -60.0
 &rst     iat =  1194,  1196,  1198,  1214,
   r1 = -141.0, r2 = -140.0, r3 = -60.0, r4 = -59.0,
 &end

# 78 PHE PSI:  (78 PHE N)-(78 PHE CA)-(78 PHE C)-(79 ILE N)  87.0 167.0
 &rst     iat =  1196,  1198,  1214,  1216,
   r1 =  86.0, r2 =  87.0, r3 = 167.0, r4 = 168.0,
 &end

# 79 ILE PHI:  (78 PHE C)-(79 ILE N)-(79 ILE CA)-(79 ILE C) -162.0 -82.0
 &rst     iat =  1214,  1216,  1218,  1233,
   r1 = -163.0, r2 = -162.0, r3 = -82.0, r4 = -81.0,
 &end

# 79 ILE PSI:  (79 ILE N)-(79 ILE CA)-(79 ILE C)-(80 HIE N) 110.0 190.0
 &rst     iat =  1216,  1218,  1233,  1235,
   r1 = 109.0, r2 = 110.0, r3 = 190.0, r4 = 191.0,
 &end

# 80 HIS PHI:  (79 ILE C)-(80 HIE N)-(80 HIE CA)-(80 HIE C) -158.0 -78.0
 &rst     iat =  1233,  1235,  1237,  1250,
   r1 = -159.0, r2 = -158.0, r3 = -78.0, r4 = -77.0,
 &end

# 80 HIS PSI:  (80 HIE N)-(80 HIE CA)-(80 HIE C)-(81 TYR N)  89.0 169.0
 &rst     iat =  1235,  1237,  1250,  1252,
   r1 =  88.0, r2 =  89.0, r3 = 169.0, r4 = 170.0,
 &end

# 83 GLY PHI:  (82 GLN C)-(83 GLY N)-(83 GLY CA)-(83 GLY C)  51.1 131.1
 &rst     iat =  1288,  1290,  1292,  1295,
   r1 =  50.1, r2 =  51.1, r3 = 131.1, r4 = 132.1,
 &end

# 83 GLY PSI:  (83 GLY N)-(83 GLY CA)-(83 GLY C)-(84 TRP N) -41.1  38.9
 &rst     iat =  1290,  1292,  1295,  1297,
   r1 = -42.1, r2 = -41.1, r3 =  38.9, r4 =  39.9,
 &end

# 87 SER PHI:  (86 SER C)-(87 SER N)-(87 SER CA)-(87 SER C) -116.0 -36.0
 &rst     iat =  1352,  1354,  1356,  1363,
   r1 = -117.0, r2 = -116.0, r3 = -36.0, r4 = -35.0,
 &end

# 87 SER PSI:  (87 SER N)-(87 SER CA)-(87 SER C)-(88 TRP N) -65.0  15.0
 &rst     iat =  1354,  1356,  1363,  1365,
   r1 = -66.0, r2 = -65.0, r3 =  15.0, r4 =  16.0,
 &end

# 90 GLU PHI:  (89 ASP C)-(90 GLU N)-(90 GLU CA)-(90 GLU C) -179.0 -99.0
 &rst     iat =  1399,  1401,  1403,  1414,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 90 GLU PSI:  (90 GLU N)-(90 GLU CA)-(90 GLU C)-(91 TRP N)  95.0 175.0
 &rst     iat =  1401,  1403,  1414,  1416,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 91 TRP PHI:  (90 GLU C)-(91 TRP N)-(91 TRP CA)-(91 TRP C) -137.0 -57.0
 &rst     iat =  1414,  1416,  1418,  1438,
   r1 = -138.0, r2 = -137.0, r3 = -57.0, r4 = -56.0,
 &end

# 91 TRP PSI:  (91 TRP N)-(91 TRP CA)-(91 TRP C)-(92 VAL N)  95.0 175.0
 &rst     iat =  1416,  1418,  1438,  1440,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 92 VAL PHI:  (91 TRP C)-(92 VAL N)-(92 VAL CA)-(92 VAL C) -179.0 -99.0
 &rst     iat =  1438,  1440,  1442,  1454,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 92 VAL PSI:  (92 VAL N)-(92 VAL CA)-(92 VAL C)-(93 GLY N) 117.0 197.0
 &rst     iat =  1440,  1442,  1454,  1456,
   r1 = 116.0, r2 = 117.0, r3 = 197.0, r4 = 198.0,
 &end

# 93 GLY PHI:  (92 VAL C)-(93 GLY N)-(93 GLY CA)-(93 GLY C) -141.0 -61.0
 &rst     iat =  1454,  1456,  1458,  1461,
   r1 = -142.0, r2 = -141.0, r3 = -61.0, r4 = -60.0,
 &end

# 93 GLY PSI:  (93 GLY N)-(93 GLY CA)-(93 GLY C)-(94 TYR N) 117.0 197.0
 &rst     iat =  1456,  1458,  1461,  1463,
   r1 = 116.0, r2 = 117.0, r3 = 197.0, r4 = 198.0,
 &end

# 94 TYR PHI:  (93 GLY C)-(94 TYR N)-(94 TYR CA)-(94 TYR C) -100.0 -20.0
 &rst     iat =  1461,  1463,  1465,  1482,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 94 TYR PSI:  (94 TYR N)-(94 TYR CA)-(94 TYR C)-(95 ASP N) -70.0  10.0
 &rst     iat =  1463,  1465,  1482,  1484,
   r1 = -71.0, r2 = -70.0, r3 =  10.0, r4 =  11.0,
 &end

# 97 ILE PHI:  (96 ARG C)-(97 ILE N)-(97 ILE CA)-(97 ILE C) -169.0 -89.0
 &rst     iat =  1518,  1520,  1522,  1537,
   r1 = -170.0, r2 = -169.0, r3 = -89.0, r4 = -88.0,
 &end

# 97 ILE PSI:  (97 ILE N)-(97 ILE CA)-(97 ILE C)-(98 ARG N)  96.0 176.0
 &rst     iat =  1520,  1522,  1537,  1539,
   r1 =  95.0, r2 =  96.0, r3 = 176.0, r4 = 177.0,
 &end

# 98 ARG PHI:  (97 ILE C)-(98 ARG N)-(98 ARG CA)-(98 ARG C) -179.0 -99.0
 &rst     iat =  1537,  1539,  1541,  1561,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 98 ARG PSI:  (98 ARG N)-(98 ARG CA)-(98 ARG C)-(99 ALA N)  95.0 175.0
 &rst     iat =  1539,  1541,  1561,  1563,
   r1 =  94.0, r2 =  95.0, r3 = 175.0, r4 = 176.0,
 &end

# 100 TYR PHI:  (99 ALA C)-(100 TYR N)-(100 TYR CA)-(100 TYR C) -130.0 -50.0
 &rst     iat =  1571,  1573,  1575,  1592,
   r1 = -131.0, r2 = -130.0, r3 = -50.0, r4 = -49.0,
 &end

# 100 TYR PSI:  (100 TYR N)-(100 TYR CA)-(100 TYR C)-(101 ASN N)  80.0 160.0
 &rst     iat =  1573,  1575,  1592,  1594,
   r1 =  79.0, r2 =  80.0, r3 = 160.0, r4 = 161.0,
 &end

# 101 ASN PHI:  (100 TYR C)-(101 ASN N)-(101 ASN CA)-(101 ASN C) -179.0 -99.0
 &rst     iat =  1592,  1594,  1596,  1606,
   r1 = -180.0, r2 = -179.0, r3 = -99.0, r4 = -98.0,
 &end

# 101 ASN PSI:  (101 ASN N)-(101 ASN CA)-(101 ASN C)-(102 GLU N) 111.0 191.0
 &rst     iat =  1594,  1596,  1606,  1608,
   r1 = 110.0, r2 = 111.0, r3 = 191.0, r4 = 192.0,
 &end

# 102 GLU PHI:  (101 ASN C)-(102 GLU N)-(102 GLU CA)-(102 GLU C) -102.1 -22.1
 &rst     iat =  1606,  1608,  1610,  1621,
   r1 = -103.1, r2 = -102.1, r3 = -22.1, r4 = -21.1,
 &end

# 102 GLU PSI:  (102 GLU N)-(102 GLU CA)-(102 GLU C)-(103 GLU N) -75.7   4.3
 &rst     iat =  1608,  1610,  1621,  1623,
   r1 = -76.7, r2 = -75.7, r3 =   4.3, r4 =   5.3,
 &end

# 103 GLU PHI:  (102 GLU C)-(103 GLU N)-(103 GLU CA)-(103 GLU C) -103.8 -23.8
 &rst     iat =  1621,  1623,  1625,  1636,
   r1 = -104.8, r2 = -103.8, r3 = -23.8, r4 = -22.8,
 &end

# 103 GLU PSI:  (103 GLU N)-(103 GLU CA)-(103 GLU C)-(104 ASN N) -83.0  -3.0
 &rst     iat =  1623,  1625,  1636,  1638,
   r1 = -84.0, r2 = -83.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 104 ASN PHI:  (103 GLU C)-(104 ASN N)-(104 ASN CA)-(104 ASN C) -103.7 -23.7
 &rst     iat =  1636,  1638,  1640,  1650,
   r1 = -104.7, r2 = -103.7, r3 = -23.7, r4 = -22.7,
 &end

# 104 ASN PSI:  (104 ASN N)-(104 ASN CA)-(104 ASN C)-(105 ILE N) -80.5  -0.5
 &rst     iat =  1638,  1640,  1650,  1652,
   r1 = -81.5, r2 = -80.5, r3 =  -0.5, r4 =   0.5,
 &end

# 105 ILE PHI:  (104 ASN C)-(105 ILE N)-(105 ILE CA)-(105 ILE C) -106.1 -26.1
 &rst     iat =  1650,  1652,  1654,  1669,
   r1 = -107.1, r2 = -106.1, r3 = -26.1, r4 = -25.1,
 &end

# 105 ILE PSI:  (105 ILE N)-(105 ILE CA)-(105 ILE C)-(106 ALA N) -79.1   0.9
 &rst     iat =  1652,  1654,  1669,  1671,
   r1 = -80.1, r2 = -79.1, r3 =   0.9, r4 =   1.9,
 &end

# 106 ALA PHI:  (105 ILE C)-(106 ALA N)-(106 ALA CA)-(106 ALA C) -102.6 -22.6
 &rst     iat =  1669,  1671,  1673,  1679,
   r1 = -103.6, r2 = -102.6, r3 = -22.6, r4 = -21.6,
 &end

# 106 ALA PSI:  (106 ALA N)-(106 ALA CA)-(106 ALA C)-(107 MET N) -79.6   0.4
 &rst     iat =  1671,  1673,  1679,  1681,
   r1 = -80.6, r2 = -79.6, r3 =   0.4, r4 =   1.4,
 &end

# 107 MET PHI:  (106 ALA C)-(107 MET N)-(107 MET CA)-(107 MET C) -106.8 -26.8
 &rst     iat =  1679,  1681,  1683,  1696,
   r1 = -107.8, r2 = -106.8, r3 = -26.8, r4 = -25.8,
 &end

# 107 MET PSI:  (107 MET N)-(107 MET CA)-(107 MET C)-(108 LYS N) -77.7   2.3
 &rst     iat =  1681,  1683,  1696,  1698,
   r1 = -78.7, r2 = -77.7, r3 =   2.3, r4 =   3.3,
 &end

# 108 LYS PHI:  (107 MET C)-(108 LYS N)-(108 LYS CA)-(108 LYS C) -105.6 -25.6
 &rst     iat =  1696,  1698,  1700,  1718,
   r1 = -106.6, r2 = -105.6, r3 = -25.6, r4 = -24.6,
 &end

# 108 LYS PSI:  (108 LYS N)-(108 LYS CA)-(108 LYS C)-(109 LYS N) -83.7  -3.7
 &rst     iat =  1698,  1700,  1718,  1720,
   r1 = -84.7, r2 = -83.7, r3 =  -3.7, r4 =  -2.7,
 &end

# 109 LYS PHI:  (108 LYS C)-(109 LYS N)-(109 LYS CA)-(109 LYS C) -101.7 -21.7
 &rst     iat =  1718,  1720,  1722,  1740,
   r1 = -102.7, r2 = -101.7, r3 = -21.7, r4 = -20.7,
 &end

# 109 LYS PSI:  (109 LYS N)-(109 LYS CA)-(109 LYS C)-(110 ARG N) -83.8  -3.8
 &rst     iat =  1720,  1722,  1740,  1742,
   r1 = -84.8, r2 = -83.8, r3 =  -3.8, r4 =  -2.8,
 &end

# 110 ARG PHI:  (109 LYS C)-(110 ARG N)-(110 ARG CA)-(110 ARG C) -105.2 -25.2
 &rst     iat =  1740,  1742,  1744,  1764,
   r1 = -106.2, r2 = -105.2, r3 = -25.2, r4 = -24.2,
 &end

# 110 ARG PSI:  (110 ARG N)-(110 ARG CA)-(110 ARG C)-(111 LEU N) -79.4   0.6
 &rst     iat =  1742,  1744,  1764,  1766,
   r1 = -80.4, r2 = -79.4, r3 =   0.6, r4 =   1.6,
 &end

# 111 LEU PHI:  (110 ARG C)-(111 LEU N)-(111 LEU CA)-(111 LEU C) -105.4 -25.4
 &rst     iat =  1764,  1766,  1768,  1783,
   r1 = -106.4, r2 = -105.4, r3 = -25.4, r4 = -24.4,
 &end

# 111 LEU PSI:  (111 LEU N)-(111 LEU CA)-(111 LEU C)-(112 ALA N) -73.5   6.5
 &rst     iat =  1766,  1768,  1783,  1785,
   r1 = -74.5, r2 = -73.5, r3 =   6.5, r4 =   7.5,
 &end

# 112 ALA PHI:  (111 LEU C)-(112 ALA N)-(112 ALA CA)-(112 ALA C) -100.0 -20.0
 &rst     iat =  1783,  1785,  1787,  1793,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 112 ALA PSI:  (112 ALA N)-(112 ALA CA)-(112 ALA C)-(113 ASN N) -90.0 -10.0
 &rst     iat =  1785,  1787,  1793,  1795,
   r1 = -91.0, r2 = -90.0, r3 = -10.0, r4 =  -9.0,
 &end

#
#  15   LEU    H  98   ARG  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,1562, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  15   LEU    N  98   ARG  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 212,1562, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  16   ALA    H  23   TYR  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 355, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  16   ALA    N  23   TYR  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 355, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23   TYR    H  16   ALA  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 240, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23   TYR    N  16   ALA  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 240, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25   ALA    H  14   CYS  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 211, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25   ALA    N  14   CYS  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 211, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  28   LEU    H  78   PHE  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 423,1215, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  28   LEU    N  78   PHE  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 422,1215, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  30   ILE    H  39   THR  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 627, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  30   ILE    N  39   THR  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 627, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31   TRP    H  76   CYS  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483,1175, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31   TRP    N  76   CYS  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 482,1175, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  56   ILE    H  40   SER  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 638, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  56   ILE    N  40   SER  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 848, 638, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  76   CYS    H  31   TRP  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1166, 505, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  76   CYS    N  31   TRP  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1165, 505, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  77   PHE    H  92   VAL  O  2.30
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1455, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  77   PHE    N  92   VAL  O  3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1176,1455, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  78   PHE    H  29   LYS  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1197, 462, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  78   PHE    N  29   LYS  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1196, 462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80   HIE    H  26   LYS  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1236, 402, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  80   HIE    N  26   LYS  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1235, 402, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  82   GLN    H  24   GLU  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1274, 370, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  82   GLN    N  24   GLU  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1273, 370, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  90   GLU    H  79   ILE  O  2.30
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1234, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  90   GLU    N  79   ILE  O  3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1401,1234, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  92   VAL    H  77   PHE  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1195, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92   VAL    N  77   PHE  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1440,1195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  97   ILE    H  93   GLY  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1462, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  97   ILE    N  93   GLY  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1520,1462, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  98   ARG    H  15   LEU  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1540, 230, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  98   ARG    N  15   LEU  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1539, 230, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105   ILE    H 101   ASN  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1607, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 105   ILE    N 101   ASN  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1652,1607, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 106   ALA    H 102   GLU  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1622, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 106   ALA    N 102   GLU  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1622, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107   MET    H 103   GLU  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1637, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 107   MET    N 103   GLU  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1681,1637, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 108   LYS    H 104   ASN  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1699,1651, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 108   LYS    N 104   ASN  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1698,1651, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 109   LYS    H 105   ILE  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1670, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 109   LYS    N 105   ILE  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1720,1670, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 110   ARG    H 106   ALA  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1743,1680, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 110   ARG    N 106   ALA  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1742,1680, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 111   LEU    H 107   MET  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1697, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 111   LEU    N 107   MET  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1766,1697, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 112   ALA    H 108   LYS  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1719, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 112   ALA    N 108   LYS  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1785,1719, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31   TRP  HE1  72   ILE  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1121, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31   TRP  NE1  72   ILE  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 492,1121, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 108   LYS   HZ  24   GLU OE  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
 igr1=1715,1716,1717,
 igr2= 367, 368,
 &end
#
# 108   LYS   NZ  24   GLU OE  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1714,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 367, 368,
 &end
#
#  80   HIE  HD2  89   ASP OD  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
 igr2=1397,1398,
 &end
#
#  80   HIE  CD2  89   ASP OD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1397,1398,
 &end
#
#   2   VAL    H   2   VAL   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  23, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   2   VAL    H   2   VAL  QQG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=  27,  28,  29,  31,  32,  33,
 &end
#
#   2   VAL   HA   3   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  37, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   2   VAL   HB   3   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  25,  37, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   2   VAL  QQG   3   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  37, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#   2   VAL  QQG   5   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  68, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#   2   VAL  QQG   5   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  27,  28,  29,  31,  32,  33,
 igr2=  72,  73,
 &end
#
#   2   VAL    H   3   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  37, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   2   VAL    H   3   ASP   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  39, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   2   VAL   HA   3   ASP   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  39, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   2   VAL  QQG   3   ASP   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  39, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  27,  28,  29,  31,  32,  33,
 &end
#
#   3   ASP   HA   3   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  37, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   3   ASP  HB2   3   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  41,  37, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   3   ASP  HB3   3   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  37, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   3   ASP   QB   3   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  37, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=  41,  42,
 &end
#
#   3   ASP   HA   4   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  49, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   3   ASP   QB   4   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  49, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=  41,  42,
 &end
#
#   3   ASP   HA   5   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  68, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   3   ASP   HA   4   LEU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=  53,  54,
 &end
#
#   3   ASP   QB   5   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  68, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  41,  42,
 &end
#
#   3   ASP   HA   6   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  83, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   3   ASP   HA   4   LEU   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  51, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   4   LEU   HA   4   LEU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  49, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#   4   LEU   QB   4   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  49, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=  53,  54,
 &end
#
#   4   LEU   HG   4   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  49, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   4   LEU   HA   5   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  68, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   4   LEU   QB   5   GLU    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  68, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1=  53,  54,
 &end
#
#   4   LEU   HG   5   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  56,  68, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   4   LEU   HA   6   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  83, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   4   LEU   HA   7   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 100, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   4   LEU   HA   7   GLU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 104, 105,
 &end
#
#   4   LEU   HA   7   GLU  HG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 107, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   4   LEU   HA   7   GLU  HG3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 108, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   4   LEU    H   6   GLN   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=  90,  91,
 &end
#
#   4   LEU  QQD   7   GLU  HG3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 108, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  58,  59,  60,  62,  63,  64,
 &end
#
#   4   LEU    H   5   GLU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  68, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#   4   LEU    H   5   GLU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  70, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   4   LEU    H   6   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  83, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   5   GLU   HA   5   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  68, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   5   GLU   HA   6   GLN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  83, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   5   GLU   QB   6   GLN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=  72,  73,
 &end
#
#   5   GLU   QG   6   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  83, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=  75,  76,
 &end
#
#   5   GLU    H   6   GLN    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  83, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#   5   GLU    H   7   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  68, 100, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   5   GLU   HA   7   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  70, 100, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   6   GLN    H   6   GLN   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  85, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   6   GLN    H   6   GLN   QG  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=  90,  91,
 &end
#
#   6   GLN   HA   6   GLN   QG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=  90,  91,
 &end
#
#   6   GLN   HA   7   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 100, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   6   GLN   QB   7   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=  87,  88,
 &end
#
#   6   GLN   QG   7   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 100, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=  90,  91,
 &end
#
#   6   GLN   QG 101   ASN  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  90,  91,
 igr2=1604,1605,
 &end
#
#   6   GLN   QB   7   GLU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 102, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  87,  88,
 &end
#
#   6   GLN    H   7   GLU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 100, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#   6   GLN    H   7   GLU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 102, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   6   GLN    H   7   GLU   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 107, 108,
 &end
#
#   6   GLN   QG   8   PHE    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 115, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=  90,  91,
 &end
#
#   6   GLN   QG 102   GLU    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1609, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=  90,  91,
 &end
#
#   6   GLN   QG 104   ASN  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  90,  91,
 igr2=1648,1649,
 &end
#
#   6   GLN    H 100   TYR   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1578,1579,
 &end
#
#   6   GLN   QB  99   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=  87,  88,
 igr2=1568,1569,1570,
 &end
#
#   6   GLN   HA  99   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1568,1569,1570,
 &end
#
#   7   GLU    H   7   GLU   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 102, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   7   GLU    H   7   GLU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 104, 105,
 &end
#
#   7   GLU    H   7   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 107, 108,
 &end
#
#   7   GLU   HA   7   GLU   QG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 107, 108,
 &end
#
#   7   GLU    H   8   PHE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 115, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#   7   GLU    H   8   PHE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 100, 117, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   7   GLU   HA   8   PHE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 115, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#   7   GLU   QB   8   PHE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 115, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 104, 105,
 &end
#
#   7   GLU   QG   8   PHE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 115, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 107, 108,
 &end
#
#   7   GLU   QB   9   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 104, 105,
 igr2= 139, 140, 141,
 &end
#
#   7   GLU   QB   9   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 104, 105,
 &end
#
#   7   GLU    H   8   PHE   QD  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2= 123, 131,
 &end
#
#   7   GLU    H 101   ASN  QD2  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1604,1605,
 &end
#
#   7   GLU   QB  99   ALA    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1564, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 104, 105,
 &end
#
#   7   GLU  HG2  99   ALA   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 107,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1568,1569,1570,
 &end
#
#   7   GLU  HG3  99   ALA   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 108,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1568,1569,1570,
 &end
#
#   7   GLU   QG   8   PHE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 107, 108,
 igr2= 123, 131,
 &end
#
#   7   GLU   HA  99   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1568,1569,1570,
 &end
#
#   7   GLU   QG   9   ALA   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 137, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 107, 108,
 &end
#
#   7   GLU   HA   8   PHE   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 119, 120,
 &end
#
#   7   GLU   HA  94   TYR   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 102,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1474,1479,
 &end
#
#   7   GLU   HA  94   TYR   HH  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1477, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   7   GLU   QB  99   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 104, 105,
 igr2=1568,1569,1570,
 &end
#
#   7   GLU   HA  99   ALA    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 102,1564, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   7   GLU   QB  94   TYR   HH  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1477, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 104, 105,
 &end
#
#   8   PHE    H   8   PHE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 117, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   8   PHE    H   8   PHE   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 119, 120,
 &end
#
#   8   PHE    H   8   PHE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 123, 131,
 &end
#
#   8   PHE   HA   9   ALA    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 135, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#   8   PHE    H   9   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 135, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   8   PHE   QB   9   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 135, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QD   9   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 135, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 123, 131,
 &end
#
#   8   PHE   HA  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 417, 418, 419,
 &end
#
#   8   PHE  HB2  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 119,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 417, 418, 419,
 &end
#
#   8   PHE  HB3  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 417, 418, 419,
 &end
#
#   8   PHE   QD  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 123, 131,
 igr2= 417, 418, 419,
 &end
#
#   8   PHE   QD   9   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 123, 131,
 igr2= 139, 140, 141,
 &end
#
#   8   PHE    H  27   ILE  QG2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 410, 411, 412,
 &end
#
#   8   PHE   QD 100   TYR    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1574, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 123, 131,
 &end
#
#   8   PHE   QB  12   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 171, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE    H  94   TYR   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1474,1479,
 &end
#
#   8   PHE   HA  12   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 171, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   8   PHE   HA   9   ALA   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 137, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   8   PHE   HA   9   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 139, 140, 141,
 &end
#
#   8   PHE   HA  12   GLY   QA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 173, 174,
 &end
#
#   8   PHE   HA  99   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,1564, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   8   PHE   HA  99   ALA   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,1566, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   8   PHE   HA  14   CYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 204, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   8   PHE   HA  94   TYR   HH  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,1477, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   8   PHE   HA 100   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,1574, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   8   PHE   QB  77   PHE  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1185, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  77   PHE  HD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1193, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  77   PHE  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  77   PHE  HE2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1191, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  77   PHE   HZ  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  94   TYR  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1474, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  94   TYR  HE2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1479, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  94   TYR   HH  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1477, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  99   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 &end
#
#   8   PHE   QB  99   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 119, 120,
 igr2=1568,1569,1570,
 &end
#
#   8   PHE  HD1  77   PHE   HZ  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 123,1189, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   8   PHE  HD2  77   PHE   HZ  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 131,1189, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   8   PHE  HE1  77   PHE   HZ  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 125,1189, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   8   PHE  HE2  77   PHE   HZ  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 129,1189, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   8   PHE    H  94   TYR   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1474,1479,
 &end
#
#   8   PHE    H  94   TYR   HH  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,1477, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   8   PHE    H  99   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,1566, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   8   PHE   HA  99   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,1564, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   8   PHE   HA  99   ALA   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 117,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1568,1569,1570,
 &end
#
#   8   PHE    H  99   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 115,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1568,1569,1570,
 &end
#
#   9   ALA    H   9   ALA   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 137, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   9   ALA    H   9   ALA   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 139, 140, 141,
 &end
#
#   9   ALA    H  10   LEU    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 145, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#   9   ALA   HA  10   LEU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 145, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#   9   ALA   QB  10   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 145, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 139, 140, 141,
 &end
#
#   9   ALA   QB  11   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 164, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 139, 140, 141,
 &end
#
#   9   ALA   HA  12   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 171, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   9   ALA   QB  12   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 171, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 139, 140, 141,
 &end
#
#   9   ALA    H  13   ARG    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 178, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   9   ALA   QB  12   GLY  HA2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 173, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 139, 140, 141,
 &end
#
#   9   ALA   QB  12   GLY  HA3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 174, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 139, 140, 141,
 &end
#
#   9   ALA    H  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 417, 418, 419,
 &end
#
#   9   ALA   QB  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 139, 140, 141,
 igr2= 417, 418, 419,
 &end
#
#   9   ALA   QB  99   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 139, 140, 141,
 igr2=1568,1569,1570,
 &end
#
#   9   ALA    H  99   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1568,1569,1570,
 &end
#
#   9   ALA    H  98   ARG   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,1542, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#   9   ALA    H  10   LEU   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2= 149, 150,
 &end
#
#   9   ALA    H  12   GLY  HA2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 173, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   9   ALA    H  12   GLY  HA3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 174, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   9   ALA   HA  12   GLY   QA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 173, 174,
 &end
#
#   9   ALA    H  13   ARG    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 178, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   9   ALA    H  11   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 164, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   9   ALA    H  12   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 171, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#   9   ALA    H  12   GLY  HA2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 173, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   9   ALA    H  12   GLY  HA3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 174, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   9   ALA    H  12   GLY   QA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 173, 174,
 &end
#
#   9   ALA    H  27   ILE   HB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 408, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   9   ALA    H  27   ILE  QG1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 414, 415,
 &end
#
#   9   ALA    H 100   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,1574, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   9   ALA    H  99   ALA   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 135,1566, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   9   ALA   HA  11   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 164, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#   9   ALA   HA  12   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 171, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#   9   ALA   HA  12   GLY   QA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 173, 174,
 &end
#
#   9   ALA   HA  27   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 417, 418, 419,
 &end
#
#   9   ALA   QB  11   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 164, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 139, 140, 141,
 &end
#
#   9   ALA   QB  12   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 171, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 139, 140, 141,
 &end
#
#  10   LEU    H  10   LEU   HA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 147, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  10   LEU    H  10   LEU  HB2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 149, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  10   LEU    H  10   LEU  HB3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 145, 150, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  10   LEU    H  10   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 145,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU   HA  10   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU   QB  10   LEU  QQD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 149, 150,
 igr2= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU   HA  12   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 171, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  10   LEU   HA  11   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 164, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  10   LEU   QB  11   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 164, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 149, 150,
 &end
#
#  10   LEU  QQD  11   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 164, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU  QQD  40   SER   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU  QQD  41   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU   QB  12   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 171, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 149, 150,
 &end
#
#  10   LEU  QQD  12   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 171, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU  QQD  30   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU  QQD  41   ILE   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 644, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU  QQD  39   THR   HB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 619, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 154, 155, 156, 158, 159, 160,
 &end
#
#  10   LEU   HA  27   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 147,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 410, 411, 412,
 &end
#
#  10   LEU   QB  41   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 149, 150,
 igr2= 646, 647, 648,
 &end
#
#  10   LEU   QB  13   ARG    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 178, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 149, 150,
 &end
#
#  10   LEU   QB  43   ASN   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 149, 150,
 igr2= 677, 678,
 &end
#
#  11   GLY    H  11   GLY   QA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 166, 167,
 &end
#
#  11   GLY   QA  12   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 171, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 166, 167,
 &end
#
#  11   GLY    H  12   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 171, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  11   GLY    H  27   ILE   HB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 408, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  11   GLY    H  27   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 417, 418, 419,
 &end
#
#  11   GLY    H  99   ALA   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1568,1569,1570,
 &end
#
#  11   GLY    H  26   LYS   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 389, 390,
 &end
#
#  11   GLY    H  41   ILE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 653, 654, 655,
 &end
#
#  11   GLY    H  41   ILE  QG2 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2= 646, 647, 648,
 &end
#
#  11   GLY   QA  41   ILE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 166, 167,
 igr2= 653, 654, 655,
 &end
#
#  11   GLY   QA  26   LYS   QE  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 166, 167,
 igr2= 395, 396,
 &end
#
#  11   GLY   QA  27   ILE   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 166, 167,
 &end
#
#  12   GLY    H  12   GLY   QA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 173, 174,
 &end
#
#  12   GLY    H  13   ARG    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 178, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  12   GLY  HA2  13   ARG    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 178, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  12   GLY  HA3  13   ARG    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 178, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  12   GLY    H  99   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1568,1569,1570,
 &end
#
#  12   GLY    H 100   TYR   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1578,1579,
 &end
#
#  12   GLY    H  14   CYS    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 202, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,  &end
#
#  12   GLY    H  27   ILE   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 408, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  12   GLY    H  27   ILE  QG1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 414, 415,
 &end
#
#  12   GLY    H  27   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 417, 418, 419,
 &end
#
#  12   GLY   QA  27   ILE   HB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 408, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 173, 174,
 &end
#
#  12   GLY    H  13   ARG   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 180, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  12   GLY   QA  13   ARG   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 180, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 173, 174,
 &end
#
#  12   GLY   QA  13   ARG   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 173, 174,
 igr2= 182, 183,
 &end
#
#  12   GLY   QA 100   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1574, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 173, 174,
 &end
#
#  12   GLY  HA2 100   TYR   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1578,1579,
 &end
#
#  12   GLY  HA3 100   TYR   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1578,1579,
 &end
#
#  12   GLY   QA  14   CYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 173, 174,
 &end
#
#  12   GLY   QA  27   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 173, 174,
 igr2= 417, 418, 419,
 &end
#
#  12   GLY   QA  99   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1566, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 173, 174,
 &end
#
#  12   GLY   QA 100   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1574, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 173, 174,
 &end
#
#  13   ARG    H  13   ARG   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 180, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  13   ARG    H  13   ARG   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 182, 183,
 &end
#
#  13   ARG    H  13   ARG   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 185, 186,
 &end
#
#  13   ARG    H  13   ARG  HD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 188, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  13   ARG    H  13   ARG  HD3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 189, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  13   ARG    H  14   CYS    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 202, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  13   ARG   HA  14   CYS    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 202, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  13   ARG   QG  14   CYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 185, 186,
 &end
#
#  13   ARG  HD2  14   CYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 202, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  13   ARG  HD3  14   CYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 202, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  13   ARG   QD  14   CYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 188, 189,
 &end
#
#  13   ARG   HA  27   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 417, 418, 419,
 &end
#
#  13   ARG    H  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 417, 418, 419,
 &end
#
#  13   ARG  HD2 100   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1582,1591,
 &end
#
#  13   ARG  HD3 100   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1582,1591,
 &end
#
#  13   ARG   QD 100   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 188, 189,
 igr2=1582,1591,
 &end
#
#  13   ARG   QD 100   TYR   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 188, 189,
 igr2=1584,1589,
 &end
#
#  13   ARG   HA  26   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 384, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  13   ARG   HA  27   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 404, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  13   ARG   HA  27   ILE   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 408, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  13   ARG   HA  27   ILE  QG1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 180,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 414, 415,
 &end
#
#  13   ARG   QB  27   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 182, 183,
 &end
#
#  13   ARG    H 100   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1574, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  13   ARG    H 100   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178,1576, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  13   ARG    H 100   TYR   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1578,1579,
 &end
#
#  13   ARG    H 100   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1582,1591,
 &end
#
#  13   ARG   QG  26   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 384, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 185, 186,
 &end
#
#  13   ARG   QG  26   LYS   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 185, 186,
 igr2= 389, 390,
 &end
#
#  13   ARG   QD  82   GLN   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 188, 189,
 igr2=1281,1282,
 &end
#
#  13   ARG   HA  25   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 180, 372, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  13   ARG   QB 100   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1574, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 182, 183,
 &end
#
#  13   ARG   QB 100   TYR   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 182, 183,
 &end
#
#  13   ARG   QD 100   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1574, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 188, 189,
 &end
#
#  13   ARG   QB  15   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 182, 183,
 igr2= 222, 223, 224, 226, 227, 228,
 &end
#
#  13   ARG    H  99   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 178,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1568,1569,1570,
 &end
#
#  14   CYS    H  14   CYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 204, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  14   CYS    H  14   CYS   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 206, 207,
 &end
#
#  14   CYS   HA  15   LEU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 213, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  14   CYS    H  15   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 213, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  14   CYS   QB  15   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 206, 207,
 &end
#
#  14   CYS    H  24   GLU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 359, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  14   CYS    H  25   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 372, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  14   CYS    H  25   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 376, 377, 378,
 &end
#
#  14   CYS    H  26   LYS   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 384, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  14   CYS    H  27   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 404, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  14   CYS   HA  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 417, 418, 419,
 &end
#
#  14   CYS   QB  27   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 206, 207,
 igr2= 417, 418, 419,
 &end
#
#  14   CYS    H  25   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 376, 377, 378,
 &end
#
#  14   CYS    H  27   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 417, 418, 419,
 &end
#
#  14   CYS    H  27   ILE  QG2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 410, 411, 412,
 &end
#
#  14   CYS   HA  27   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 417, 418, 419,
 &end
#
#  14   CYS   QB  27   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 206, 207,
 igr2= 417, 418, 419,
 &end
#
#  14   CYS   QB  97   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 206, 207,
 igr2=1534,1535,1536,
 &end
#
#  14   CYS   QB  97   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 206, 207,
 igr2=1531,1532,
 &end
#
#  14   CYS   QB  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 206, 207,
 igr2=1527,1528,1529,
 &end
#
#  14   CYS   HA 100   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 204,1574, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  15   LEU   HA  15   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 213, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  15   LEU  HB2  15   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 213, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  15   LEU  HB3  15   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 213, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  15   LEU  QQD  15   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 213, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU   HA  16   ALA    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 232, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  15   LEU   QB  16   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 217, 218,
 &end
#
#  15   LEU   HG  16   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 232, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  15   LEU  QQD  16   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU    H  16   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 232, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  15   LEU   HA  24   GLU   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 359, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  15   LEU   HA  25   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 372, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  15   LEU    H  25   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 376, 377, 378,
 &end
#
#  15   LEU   HA  25   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 376, 377, 378,
 &end
#
#  15   LEU  QQD  25   ALA   HA  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1666,1667,1668,
 &end
#
#  15   LEU  QQD  24   GLU  HG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 364, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD  24   GLU  HG3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 365, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD  24   GLU   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 108   LYS  HE2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1712, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 108   LYS  HE3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1713, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 108   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1712,1713,
 &end
#
#  15   LEU  QQD 100   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 104   ASN   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 104   ASN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1643,1644,
 &end
#
#  15   LEU  QQD 104   ASN  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1648,1649,
 &end
#
#  15   LEU  QQD 100   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1582,1591,
 &end
#
#  15   LEU  QQD 100   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1584,1589,
 &end
#
#  15   LEU  QQD  22   MET  HG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 326, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD  22   MET  HG3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD  22   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2= 330, 331, 332,
 &end
#
#  15   LEU  QQD 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1693,1694,1695,
 &end
#
#  15   LEU   HG 104   ASN  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1648,1649,
 &end
#
#  15   LEU  QQD 104   ASN  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1648,1649,
 &end
#
#  15   LEU    H  97   ILE   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 213,1523, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  15   LEU    H  97   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1531,1532,
 &end
#
#  15   LEU    H  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1534,1535,1536,
 &end
#
#  15   LEU    H  98   ARG    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,1540, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  15   LEU    H  99   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,1564, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  15   LEU    H  99   ALA   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,1566, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  15   LEU   HG  22   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 330, 331, 332,
 &end
#
#  15   LEU   HG 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1693,1694,1695,
 &end
#
#  15   LEU    H 100   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,1574, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  15   LEU    H 100   TYR   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1578,1579,
 &end
#
#  15   LEU   QB  23   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 217, 218,
 &end
#
#  15   LEU    H  22   MET   QG  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2= 326, 327,
 &end
#
#  15   LEU  QQD  22   MET   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2= 326, 327,
 &end
#
#  15   LEU    H  79   ILE   HB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 213,1221, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,  &end
#
#  15   LEU   HG 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 220,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1666,1667,1668,
 &end
#
#  15   LEU  QQD 104   ASN   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1641, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 104   ASN    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 105   ILE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1655, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD  24   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2= 364, 365,
 &end
#
#  15   LEU  QQD 101   ASN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1595, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU  QQD 100   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 igr2=1582,1591,
 &end
#
#  15   LEU  QQD 100   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1576, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  15   LEU   QB  26   LYS   HA 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 384, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 217, 218,
 &end
#
#  15   LEU  QQD 105   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 222, 223, 224, 226, 227, 228,
 &end
#
#  16   ALA    H  16   ALA   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 234, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  16   ALA    H  16   ALA   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 236, 237, 238,
 &end
#
#  16   ALA    H  17   PHE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 242, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  16   ALA   HA  17   PHE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 242, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  16   ALA    H  25   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 372, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  16   ALA    H  24   GLU   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 359, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  16   ALA    H  23   TYR    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 336, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  16   ALA    H  23   TYR   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 340, 341,
 &end
#
#  16   ALA   HA  98   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 234,1540, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  16   ALA   HA  97   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 234,1521, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  16   ALA   HA  97   ILE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 234,1523, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  16   ALA   HA  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1527,1528,1529,
 &end
#
#  16   ALA   QB  97   ILE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1523, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 &end
#
#  16   ALA   QB  97   ILE   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 &end
#
#  16   ALA   QB  97   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 igr2=1531,1532,
 &end
#
#  16   ALA   QB  97   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 igr2=1527,1528,1529,
 &end
#
#  16   ALA   QB  97   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 236, 237, 238,
 igr2=1534,1535,1536,
 &end
#
#  16   ALA   QB  25   ALA   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 236, 237, 238,
 igr2= 376, 377, 378,
 &end
#
#  16   ALA   QB  81   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 igr2=1261,1270,
 &end
#
#  16   ALA   QB  81   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 igr2=1263,1268,
 &end
#
#  16   ALA   QB  81   TYR   HH  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1266, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 &end
#
#  16   ALA    H  25   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 376, 377, 378,
 &end
#
#  16   ALA   HA 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1693,1694,1695,
 &end
#
#  16   ALA    H  22   MET   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 326, 327,
 &end
#
#  16   ALA    H  81   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1263,1268,
 &end
#
#  16   ALA    H  81   TYR   HH  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,1266, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  16   ALA   QB  79   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 igr2=1230,1231,1232,
 &end
#
#  16   ALA   QB  98   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 236, 237, 238,
 &end
#
#  16   ALA    H  24   GLU   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2= 361, 362,
 &end
#
#  16   ALA    H  24   GLU   QG  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2= 364, 365,
 &end
#
#  16   ALA    H  81   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1261,1270,
 &end
#
#  16   ALA    H  17   PHE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 250, 258,
 &end
#
#  16   ALA   QB  92   VAL    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 236, 237, 238,
 &end
#
#  16   ALA   HA  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 234,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1527,1528,1529,
 &end
#
#  16   ALA   QB  18   HIE  HD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 236, 237, 238,
 &end
#
#  17   PHE    H  17   PHE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 244, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  17   PHE    H  17   PHE  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 246, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  17   PHE    H  17   PHE  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 247, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  17   PHE    H  17   PHE   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 246, 247,
 &end
#
#  17   PHE    H  17   PHE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 250, 258,
 &end
#
#  17   PHE   QB  17   PHE   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 246, 247,
 igr2= 250, 258,
 &end
#
#  17   PHE   HA  22   MET   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 321, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  17   PHE   HA  23   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 336, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  17   PHE   HA  18   HIE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 262, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  17   PHE   HA  19   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 279, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  17   PHE    H  18   HIE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 262, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  17   PHE   QD  18   HIE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 250, 258,
 &end
#
#  17   PHE   QE  18   HIE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 262, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 252, 256,
 &end
#
#  17   PHE  HB2  18   HIE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 262, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  17   PHE  HB3  18   HIE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 262, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  17   PHE   QD 111   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 250, 258,
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  17   PHE  HE1 111   LEU  QD1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1776,1777,1778,
 &end
#
#  17   PHE  HE2 111   LEU  QD1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1776,1777,1778,
 &end
#
#  17   PHE   QE 111   LEU  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 252, 256,
 igr2=1780,1781,1782,
 &end
#
#  17   PHE   QE 111   LEU  QQD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 252, 256,
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  17   PHE   QD  22   MET    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 250, 258,
 &end
#
#  17   PHE  HD1  22   MET   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 321, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  17   PHE  HD2  22   MET   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 321, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  17   PHE  HD1  22   MET   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 323, 324,
 &end
#
#  17   PHE  HD2  22   MET   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 323, 324,
 &end
#
#  17   PHE  HE1  22   MET   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 323, 324,
 &end
#
#  17   PHE  HE2  22   MET   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 323, 324,
 &end
#
#  17   PHE   QD  22   MET  HG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 326, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 250, 258,
 &end
#
#  17   PHE   QD  22   MET  HG3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 250, 258,
 &end
#
#  17   PHE   QD  22   MET   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 250, 258,
 igr2= 326, 327,
 &end
#
#  17   PHE  HE2  22   MET   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 326, 327,
 &end
#
#  17   PHE   HZ 111   LEU  QD1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1776,1777,1778,
 &end
#
#  17   PHE   HZ 111   LEU  QD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1780,1781,1782,
 &end
#
#  17   PHE   QE  22   MET    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 252, 256,
 &end
#
#  17   PHE    H  96   ARG   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1499, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  17   PHE    H  96   ARG   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1501,1502,
 &end
#
#  17   PHE    H  97   ILE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1523, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  17   PHE    H  98   ARG    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1540, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  17   PHE    H  24   GLU    H  9.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 357, r1= 1.30,  r2= 1.8, r3= 9.00, r4= 9.50,  &end
#
#  17   PHE   QB  19   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 246, 247,
 &end
#
#  17   PHE   HA  23   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 244, 336, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  17   PHE  HD1 107   MET   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1686,1687,
 &end
#
#  17   PHE  HD2 107   MET   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1686,1687,
 &end
#
#  17   PHE  HD1 107   MET   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1689,1690,
 &end
#
#  17   PHE  HD2 107   MET   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 258,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1689,1690,
 &end
#
#  17   PHE   QD 107   MET   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 250, 258,
 igr2=1693,1694,1695,
 &end
#
#  17   PHE   HZ 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1693,1694,1695,
 &end
#
#  17   PHE  HE1 107   MET   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1686,1687,
 &end
#
#  17   PHE  HE2 107   MET   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1686,1687,
 &end
#
#  17   PHE  HE1 107   MET   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1689,1690,
 &end
#
#  17   PHE  HE2 107   MET   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1689,1690,
 &end
#
#  17   PHE  HE1 107   MET   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 252,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1693,1694,1695,
 &end
#
#  17   PHE  HE2 107   MET   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 256,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1693,1694,1695,
 &end
#
#  17   PHE   HZ 107   MET   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1689,1690,
 &end
#
#  17   PHE   HZ 111   LEU   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 254,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1771,1772,
 &end
#
#  17   PHE   QB  96   ARG   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 246, 247,
 igr2=1501,1502,
 &end
#
#  17   PHE   QB  96   ARG   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 246, 247,
 igr2=1504,1505,
 &end
#
#  17   PHE   QB  97   ILE    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1521, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 246, 247,
 &end
#
#  17   PHE   QB  97   ILE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1523, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 246, 247,
 &end
#
#  17   PHE   QB  97   ILE   HB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 246, 247,
 &end
#
#  17   PHE   QB  97   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 246, 247,
 igr2=1531,1532,
 &end
#
#  17   PHE   QB 107   MET   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 246, 247,
 igr2=1686,1687,
 &end
#
#  17   PHE   QB 107   MET   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 246, 247,
 igr2=1689,1690,
 &end
#
#  17   PHE   QB 107   MET   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 246, 247,
 igr2=1693,1694,1695,
 &end
#
#  17   PHE   QB 111   LEU  QQD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 246, 247,
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  17   PHE   HA 107   MET   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1689,1690,
 &end
#
#  17   PHE   HA 107   MET   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 244,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1693,1694,1695,
 &end
#
#  17   PHE    H  92   VAL  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1451,1452,1453,
 &end
#
#  17   PHE    H  96   ARG    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 242,1497, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  18   HIE    H  18   HIE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 264, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  18   HIE    H  18   HIE  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 266, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  18   HIE    H  18   HIE  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 267, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  18   HIE    H  18   HIE   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 262,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 266, 267,
 &end
#
#  18   HIE   HA  19   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 279, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  18   HIE   QB  19   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 279, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 266, 267,
 &end
#
#  18   HIE    H  19   GLY    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 279, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  18   HIE    H  21   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 300, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  18   HIE    H  22   MET   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 321, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  18   HIE    H  23   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 336, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  18   HIE   QB  21   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 266, 267,
 &end
#
#  18   HIE  HE1  88   TRP  HZ3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 271,1383, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  18   HIE  HE1  88   TRP  HH2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 271,1381, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  18   HIE  HD2  81   TYR   HH  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1266, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  18   HIE  HE1  81   TYR  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 271,1261, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  18   HIE  HE1  81   TYR  HD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 271,1270, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  18   HIE  HE1  81   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 271,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1263,1268,
 &end
#
#  18   HIE  HE1  81   TYR   HH  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 271,1266, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  18   HIE  HD2  96   ARG   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 275,1499, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  18   HIE  HD2  96   ARG   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1501,1502,
 &end
#
#  18   HIE  HD2  96   ARG   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1504,1505,
 &end
#
#  18   HIE  HD2  81   TYR   QD  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1261,1270,
 &end
#
#  19   GLY    H  19   GLY   QA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 279,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 281, 282,
 &end
#
#  19   GLY   QA  20   PRO  HD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 287, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 281, 282,
 &end
#
#  19   GLY   QA  20   PRO  HD3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 281, 282,
 &end
#
#  19   GLY   QA  20   PRO   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 281, 282,
 igr2= 287, 288,
 &end
#
#  19   GLY   QA  21   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 281, 282,
 &end
#
#  19   GLY    H  22   MET    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 319, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  19   GLY    H  22   MET   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 321, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  20   PRO   HA  21   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 300, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  20   PRO  HB2  21   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 293, 300, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  20   PRO  HB3  21   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 300, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  20   PRO   QB  21   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 293, 294,
 &end
#
#  20   PRO   QG  21   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 290, 291,
 &end
#
#  20   PRO  HD2  21   LEU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 287, 300, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  20   PRO  HD3  21   LEU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 300, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  20   PRO   QD  21   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 300, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 287, 288,
 &end
#
#  20   PRO   QB  21   LEU   HG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 293, 294,
 &end
#
#  20   PRO   QB  21   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 293, 294,
 igr2= 309, 310, 311, 313, 314, 315,
 &end
#
#  20   PRO   HA 111   LEU  QD1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1776,1777,1778,
 &end
#
#  20   PRO   HA 111   LEU  QD2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1780,1781,1782,
 &end
#
#  21   LEU    H  21   LEU   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 302, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  21   LEU    H  21   LEU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 304, 305,
 &end
#
#  21   LEU    H  21   LEU   HG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 307, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  21   LEU    H  21   LEU  QD1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 309, 310, 311,
 &end
#
#  21   LEU    H  21   LEU  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 313, 314, 315,
 &end
#
#  21   LEU    H  22   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 319, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  21   LEU   HA  22   MET    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 319, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  21   LEU  QD1  22   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311,
 &end
#
#  21   LEU  QD2  22   MET    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 313, 314, 315,
 &end
#
#  21   LEU  QD2  22   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 313, 314, 315,
 igr2= 330, 331, 332,
 &end
#
#  21   LEU  QD1 112   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1788, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311,
 &end
#
#  21   LEU  QD2 112   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1788, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 313, 314, 315,
 &end
#
#  21   LEU  QQD 112   ALA   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1788, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311, 313, 314, 315,
 &end
#
#  21   LEU  QD1 112   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1788, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311,
 &end
#
#  21   LEU  QQD 112   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311, 313, 314, 315,
 igr2=1790,1791,1792,
 &end
#
#  21   LEU  QQD 112   ALA    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311, 313, 314, 315,
 &end
#
#  21   LEU   QB  22   MET    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 304, 305,
 &end
#
#  21   LEU   HA 111   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  21   LEU  QD1 111   LEU  QD2  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 309, 310, 311,
 igr2=1780,1781,1782,
 &end
#
#  21   LEU  QD1 111   LEU  QD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311,
 igr2=1776,1777,1778,
 &end
#
#  21   LEU  QQD 111   LEU   HG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311, 313, 314, 315,
 &end
#
#  21   LEU   HA 111   LEU  QD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1776,1777,1778,
 &end
#
#  21   LEU   HA 111   LEU  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1780,1781,1782,
 &end
#
#  21   LEU   HA 111   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  21   LEU    H  23   TYR  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 346, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  21   LEU    H  23   TYR  HE2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 351, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  21   LEU  QD1  23   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311,
 igr2= 346, 351,
 &end
#
#  21   LEU  QD2  23   TYR   QE  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 313, 314, 315,
 igr2= 346, 351,
 &end
#
#  21   LEU  QD2  23   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 313, 314, 315,
 igr2= 344, 353,
 &end
#
#  21   LEU  QQD  84   TRP  HE1  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1308, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 309, 310, 311, 313, 314, 315,
 &end
#
#  21   LEU  QD1 114   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1810, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311,
 &end
#
#  21   LEU  QD1 114   LEU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1812, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311,
 &end
#
#  21   LEU  QD1 114   LEU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311,
 igr2=1814,1815,
 &end
#
#  21   LEU   HA 111   LEU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 302,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1771,1772,
 &end
#
#  21   LEU   HG 111   LEU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1771,1772,
 &end
#
#  21   LEU   HG 111   LEU   HG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 307,1774, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  21   LEU   HG 111   LEU  QD1  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr2=1776,1777,1778,
 &end
#
#  21   LEU   HG 111   LEU  QD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1780,1781,1782,
 &end
#
#  21   LEU   HG 112   ALA    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 307,1786, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  21   LEU   HG 114   LEU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1814,1815,
 &end
#
#  21   LEU   HG 115   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1833,1834,
 &end
#
#  21   LEU  QD1 111   LEU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311,
 igr2=1771,1772,
 &end
#
#  21   LEU  QD1 111   LEU  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311,
 igr2=1780,1781,1782,
 &end
#
#  21   LEU  QD1 115   GLU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1831, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311,
 &end
#
#  21   LEU  QD1 115   GLU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311,
 igr2=1833,1834,
 &end
#
#  21   LEU  QD1 115   GLU   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 309, 310, 311,
 igr2=1836,1837,
 &end
#
#  21   LEU  QD1 112   ALA   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1788, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 309, 310, 311,
 &end
#
#  21   LEU  QD2 108   LYS   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 313, 314, 315,
 igr2=1709,1710,
 &end
#
#  21   LEU  QD2 108   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 313, 314, 315,
 igr2=1712,1713,
 &end
#
#  21   LEU  QD2 111   LEU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 313, 314, 315,
 &end
#
#  21   LEU  QD2 111   LEU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1769, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 313, 314, 315,
 &end
#
#  21   LEU  QD2 111   LEU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 313, 314, 315,
 igr2=1771,1772,
 &end
#
#  21   LEU  QD2 111   LEU  QD1  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 313, 314, 315,
 igr2=1776,1777,1778,
 &end
#
#  21   LEU  QD2 112   ALA   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1788, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 313, 314, 315,
 &end
#
#  21   LEU  QD2 112   ALA   QB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 313, 314, 315,
 igr2=1790,1791,1792,
 &end
#
#  21   LEU  QD2 114   LEU   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 313, 314, 315,
 igr2=1814,1815,
 &end
#
#  21   LEU  QD2 115   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1829, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 313, 314, 315,
 &end
#
#  21   LEU  QD2 115   GLU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1831, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 313, 314, 315,
 &end
#
#  21   LEU  QD2 115   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 313, 314, 315,
 igr2=1833,1834,
 &end
#
#  21   LEU  QD2 115   GLU   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 313, 314, 315,
 igr2=1836,1837,
 &end
#
#  21   LEU  QD2  23   TYR   HH  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 349, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 313, 314, 315,
 &end
#
#  22   MET    H  23   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 336, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  22   MET  HG2  23   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 326, 336, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  22   MET  HG3  23   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 336, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  22   MET   QG  23   TYR    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 326, 327,
 &end
#
#  22   MET   QE  23   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 &end
#
#  22   MET   HA  22   MET    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 319, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  22   MET   QB  22   MET    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 319, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 323, 324,
 &end
#
#  22   MET   HA  23   TYR    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 336, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  22   MET   QG  23   TYR    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 326, 327,
 &end
#
#  22   MET   QB 111   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 323, 324,
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  22   MET  HG2 111   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 326,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  22   MET  HG3 111   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  22   MET   QG 111   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 326, 327,
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  22   MET   QG  23   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 326, 327,
 &end
#
#  22   MET   QE  23   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 338, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 &end
#
#  22   MET   QE 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 igr2=1693,1694,1695,
 &end
#
#  22   MET   QG 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 326, 327,
 igr2=1693,1694,1695,
 &end
#
#  22   MET   QE 108   LYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 igr2=1703,1704,
 &end
#
#  22   MET   QE 108   LYS   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 igr2=1706,1707,
 &end
#
#  22   MET   QE 108   LYS   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 330, 331, 332,
 igr2=1709,1710,
 &end
#
#  22   MET   QE 108   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 igr2=1712,1713,
 &end
#
#  22   MET    H 111   LEU  QD1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1776,1777,1778,
 &end
#
#  22   MET    H 111   LEU  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1780,1781,1782,
 &end
#
#  22   MET   QB 108   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 323, 324,
 &end
#
#  22   MET   QG 108   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 326, 327,
 &end
#
#  22   MET   QB 107   MET   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 323, 324,
 igr2=1689,1690,
 &end
#
#  22   MET    H 108   LYS   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319,1701, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  22   MET    H 108   LYS   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1709,1710,
 &end
#
#  22   MET    H 111   LEU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 319,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1771,1772,
 &end
#
#  22   MET   HA 107   MET   QE  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 321,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1693,1694,1695,
 &end
#
#  22   MET   QB 107   MET   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1684, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 323, 324,
 &end
#
#  22   MET   QB 107   MET   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 323, 324,
 igr2=1693,1694,1695,
 &end
#
#  22   MET   QG 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 326, 327,
 igr2=1693,1694,1695,
 &end
#
#  22   MET   QG 111   LEU  QQD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 326, 327,
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  22   MET   QE 108   LYS   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 330, 331, 332,
 igr2=1712,1713,
 &end
#
#  22   MET   QE 108   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 330, 331, 332,
 &end
#
#  22   MET   QE 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 igr2=1693,1694,1695,
 &end
#
#  22   MET   QE 109   LYS    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1721, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 330, 331, 332,
 &end
#
#  22   MET   QE 111   LEU  QQD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 330, 331, 332,
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
#  22   MET   QE 104   ASN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 igr2=1643,1644,
 &end
#
#  22   MET   QE  24   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 330, 331, 332,
 &end
#
#  22   MET   QE  24   GLU   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 &end
#
#  22   MET   QE 105   ILE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1655, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 &end
#
#  22   MET   QE 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 330, 331, 332,
 igr2=1666,1667,1668,
 &end
#
#  23   TYR    H  23   TYR   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 338, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  23   TYR    H  24   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 357, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  23   TYR   HA  24   GLU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 357, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  23   TYR   QB  24   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 340, 341,
 &end
#
#  23   TYR   QD  24   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 344, 353,
 &end
#
#  23   TYR   QE  24   GLU    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 346, 351,
 &end
#
#  23   TYR   QB  84   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1308, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 340, 341,
 &end
#
#  23   TYR  HD1  84   TRP  HE1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 344,1308, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  23   TYR  HD2  84   TRP  HE1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 353,1308, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  23   TYR  HE1  84   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1308, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  23   TYR  HE2  84   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 351,1308, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  23   TYR   QE  84   TRP  HE1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1308, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 346, 351,
 &end
#
#  23   TYR  HE1  84   TRP  HZ2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 346,1311, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  23   TYR  HE2  84   TRP  HZ2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 351,1311, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  23   TYR   QE  84   TRP  HZ2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 346, 351,
 &end
#
#  23   TYR   HH  84   TRP  HZ2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1311, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  23   TYR   QB  82   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 340, 341,
 &end
#
#  23   TYR   QB  81   TYR    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1253, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 340, 341,
 &end
#
#  23   TYR   QB  81   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 340, 341,
 igr2=1261,1270,
 &end
#
#  23   TYR   QB  84   TRP  HD1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1306, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 340, 341,
 &end
#
#  23   TYR   QB  84   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1308, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 340, 341,
 &end
#
#  23   TYR   QB  88   TRP  HZ3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1383, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 340, 341,
 &end
#
#  23   TYR  HD1  84   TRP  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 344,1306, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  23   TYR  HD2  84   TRP  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 353,1306, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  23   TYR   HH  84   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1308, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  23   TYR   HH  84   TRP  HZ2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1311, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  23   TYR   HH  84   TRP  HH2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 349,1313, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  23   TYR    H 107   MET   QE  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1693,1694,1695,
 &end
#
#  23   TYR   HA 108   LYS   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1706,1707,
 &end
#
#  24   GLU    H  24   GLU   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 359, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  24   GLU    H  24   GLU   QB  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 361, 362,
 &end
#
#  24   GLU    H  24   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 364, 365,
 &end
#
#  24   GLU   HA  24   GLU   QG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 364, 365,
 &end
#
#  24   GLU   HA  25   ALA    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 372, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  24   GLU   HA  25   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 376, 377, 378,
 &end
#
#  24   GLU    H  25   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 372, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  24   GLU   QB  25   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 361, 362,
 &end
#
#  24   GLU   QG  25   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 364, 365,
 &end
#
#  24   GLU    H  81   TYR   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1257,1258,
 &end
#
#  24   GLU    H  81   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1261,1270,
 &end
#
#  24   GLU   QG  82   GLN   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 364, 365,
 igr2=1278,1279,
 &end
#
#  24   GLU   QG  82   GLN   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 364, 365,
 igr2=1281,1282,
 &end
#
#  24   GLU    H  82   GLN   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1281,1282,
 &end
#
#  24   GLU   HA  79   ILE  QG2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1223,1224,1225,
 &end
#
#  24   GLU  HG2  82   GLN  QE2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1286,1287,
 &end
#
#  24   GLU  HG3  82   GLN  QE2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1286,1287,
 &end
#
#  24   GLU   QG  82   GLN  QE2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 364, 365,
 igr2=1286,1287,
 &end
#
#  24   GLU   HA  26   LYS   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 359,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 386, 387,
 &end
#
#  25   ALA    H  25   ALA   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 374, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  25   ALA    H  25   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 372,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 376, 377, 378,
 &end
#
#  25   ALA    H  26   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 382, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  25   ALA   HA  26   LYS    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 382, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  25   ALA   QB  26   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 382, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 376, 377, 378,
 &end
#
#  25   ALA   QB  79   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 376, 377, 378,
 igr2=1230,1231,1232,
 &end
#
#  25   ALA   QB  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 376, 377, 378,
 igr2=1223,1224,1225,
 &end
#
#  25   ALA   QB  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 376, 377, 378,
 igr2=1527,1528,1529,
 &end
#
#  25   ALA   QB  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 376, 377, 378,
 igr2=1534,1535,1536,
 &end
#
#  25   ALA   QB  81   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 376, 377, 378,
 igr2=1261,1270,
 &end
#
#  25   ALA   QB  81   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 376, 377, 378,
 igr2=1263,1268,
 &end
#
#  25   ALA   HA  81   TYR   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 374,1255, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  25   ALA   HA  82   GLN    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 374,1274, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  25   ALA   QB  81   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1255, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 376, 377, 378,
 &end
#
#  25   ALA   QB  81   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 376, 377, 378,
 igr2=1261,1270,
 &end
#
#  25   ALA   QB  81   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 376, 377, 378,
 igr2=1263,1268,
 &end
#
#  25   ALA   HA  82   GLN  HG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 374,1281, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  25   ALA   HA  82   GLN  HG3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 374,1282, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  26   LYS    H  26   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 384, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  26   LYS    H  26   LYS   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 386, 387,
 &end
#
#  26   LYS   QB  26   LYS   HA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 384, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 386, 387,
 &end
#
#  26   LYS   QB  26   LYS   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 386, 387,
 igr2= 392, 393,
 &end
#
#  26   LYS    H  26   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 395, 396,
 &end
#
#  26   LYS   QB  26   LYS   QE  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 386, 387,
 igr2= 395, 396,
 &end
#
#  26   LYS   QG  26   LYS   QE  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 389, 390,
 igr2= 395, 396,
 &end
#
#  26   LYS   HA  26   LYS   QG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 389, 390,
 &end
#
#  26   LYS    H  27   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 404, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  26   LYS   HA  27   ILE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 404, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  26   LYS    H  79   ILE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,1219, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  26   LYS    H  79   ILE   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,1221, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  26   LYS    H  80   HIE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 382,1236, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  26   LYS    H  80   HIE  HB2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,1240, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  26   LYS    H  80   HIE  HB3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,1241, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  26   LYS    H  80   HIE   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1240,1241,
 &end
#
#  26   LYS    H  81   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,1255, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  26   LYS    H  82   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,1274, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  26   LYS   QB  80   HIE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1236, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 386, 387,
 &end
#
#  26   LYS   QG  80   HIE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1236, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 389, 390,
 &end
#
#  26   LYS    H  97   ILE  QG1  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1531,1532,
 &end
#
#  26   LYS   HA  97   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 384,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1531,1532,
 &end
#
#  26   LYS   QB  81   TYR    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1253, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 386, 387,
 &end
#
#  26   LYS   HA  81   TYR    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 384,1253, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  26   LYS   QB  82   GLN  QE2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 386, 387,
 igr2=1286,1287,
 &end
#
#  26   LYS   QG  82   GLN  QE2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 389, 390,
 igr2=1286,1287,
 &end
#
#  26   LYS   QD  82   GLN  QE2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 392, 393,
 igr2=1286,1287,
 &end
#
#  26   LYS    H  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1223,1224,1225,
 &end
#
#  26   LYS   QB  79   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 386, 387,
 igr2=1227,1228,
 &end
#
#  26   LYS   QG  26   LYS   QE  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 389, 390,
 igr2= 395, 396,
 &end
#
#  26   LYS   QE  27   ILE  QG2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 395, 396,
 igr2= 410, 411, 412,
 &end
#
#  26   LYS   QE  28   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 395, 396,
 igr2= 432, 433, 434, 436, 437, 438,
 &end
#
#  26   LYS   QE  46   PRO   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 395, 396,
 igr2= 722, 723,
 &end
#
#  26   LYS    H  89   ASP   QB 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 382,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2=1394,1395,
 &end
#
#  26   LYS   QE  79   ILE  QG1 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 395, 396,
 igr2=1227,1228,
 &end
#
#  27   ILE   HA  27   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 404, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  27   ILE   HB  27   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 404, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  27   ILE  QG1  27   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 414, 415,
 &end
#
#  27   ILE  QG2  27   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 410, 411, 412,
 &end
#
#  27   ILE  QG2  27   ILE   HA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 406, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 410, 411, 412,
 &end
#
#  27   ILE   QD  27   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 417, 418, 419,
 &end
#
#  27   ILE   HA  28   LEU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 423, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  27   ILE   HA  28   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 423, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  27   ILE    H  28   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 423, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  27   ILE  QG2  28   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 410, 411, 412,
 &end
#
#  27   ILE   QD  97   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 417, 418, 419,
 igr2=1534,1535,1536,
 &end
#
#  27   ILE   QD  97   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 417, 418, 419,
 igr2=1527,1528,1529,
 &end
#
#  27   ILE   HA  79   ILE  QG2  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr2=1223,1224,1225,
 &end
#
#  27   ILE   QD  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 417, 418, 419,
 igr2=1223,1224,1225,
 &end
#
#  27   ILE  QG2  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 410, 411, 412,
 igr2=1223,1224,1225,
 &end
#
#  27   ILE  QG2  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 410, 411, 412,
 igr2=1223,1224,1225,
 &end
#
#  27   ILE  QG2  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 410, 411, 412,
 igr2=1223,1224,1225,
 &end
#
#  27   ILE  QG2  77   PHE  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1181, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 410, 411, 412,
 &end
#
#  27   ILE  QG2  77   PHE  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1182, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 410, 411, 412,
 &end
#
#  27   ILE   HA  79   ILE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1219, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  27   ILE   HA  80   HIE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406,1236, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  27   ILE  QG2  29   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 410, 411, 412,
 &end
#
#  27   ILE  QG1  31   TRP    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 414, 415,
 &end
#
#  27   ILE  QG2  31   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 410, 411, 412,
 &end
#
#  27   ILE  QG1  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 414, 415,
 igr2=1534,1535,1536,
 &end
#
#  27   ILE  QG1  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 414, 415,
 igr2=1223,1224,1225,
 &end
#
#  27   ILE   HA  79   ILE  QG2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1223,1224,1225,
 &end
#
#  27   ILE   QD  80   HIE    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1236, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 417, 418, 419,
 &end
#
#  27   ILE   QD  99   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 417, 418, 419,
 igr2=1568,1569,1570,
 &end
#
#  27   ILE   HB  79   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 408,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1227,1228,
 &end
#
#  27   ILE  QG2  77   PHE   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 410, 411, 412,
 igr2=1181,1182,
 &end
#
#  27   ILE   HA  77   PHE   QD  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 406,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1185,1193,
 &end
#
#  28   LEU   HA  28   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 423, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  28   LEU   HA  28   LEU   HG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 430, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  28   LEU  QD1  28   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434,
 &end
#
#  28   LEU  QD2  28   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 436, 437, 438,
 &end
#
#  28   LEU   HA  29   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 442, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  28   LEU  QQD  29   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 442, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 &end
#
#  28   LEU    H  29   LYS    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 423, 442, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  28   LEU    H  78   PHE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 423,1199, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  28   LEU    H  79   ILE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 423,1219, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  28   LEU    H  79   ILE  QG2  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1223,1224,1225,
 &end
#
#  28   LEU  QQD  78   PHE   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 igr2=1201,1202,
 &end
#
#  28   LEU  QQD  78   PHE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 igr2=1205,1213,
 &end
#
#  28   LEU  QQD  78   PHE   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 igr2=1207,1211,
 &end
#
#  28   LEU    H  78   PHE   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1201,1202,
 &end
#
#  28   LEU    H  78   PHE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1205,1213,
 &end
#
#  28   LEU  QQD  29   LYS   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 igr2= 452, 453,
 &end
#
#  28   LEU  QQD  29   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 igr2= 455, 456,
 &end
#
#  28   LEU  QQD  40   SER   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 igr2= 633, 634,
 &end
#
#  28   LEU  QQD  40   SER   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 631, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 &end
#
#  28   LEU   HG  40   SER   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 631, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  28   LEU    H  78   PHE   QE  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1207,1211,
 &end
#
#  28   LEU    H  79   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 423,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1223,1224,1225,
 &end
#
#  28   LEU  QQD  79   ILE  QG2 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 igr2=1223,1224,1225,
 &end
#
#  28   LEU   HA  41   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 653, 654, 655,
 &end
#
#  28   LEU   HA  30   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 477, 478, 479,
 &end
#
#  28   LEU   HA  56   ILE    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 849, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  28   LEU  QQD  46   PRO   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 432, 433, 434, 436, 437, 438,
 igr2= 728, 729,
 &end
#
#  29   LYS    H  29   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 444, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  29   LYS    H  29   LYS   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 446, 447,
 &end
#
#  29   LYS    H  29   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 455, 456,
 &end
#
#  29   LYS   HA  29   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 455, 456,
 &end
#
#  29   LYS   QB  29   LYS   QE  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 446, 447,
 igr2= 455, 456,
 &end
#
#  29   LYS    H  30   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 464, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  29   LYS   HA  30   ILE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 464, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  29   LYS   HA  39   THR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 615, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  29   LYS   HA  40   SER   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 444, 631, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  29   LYS   HA  40   SER   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 633, 634,
 &end
#
#  29   LYS    H  77   PHE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,1179, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  29   LYS    H  78   PHE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,1197, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  29   LYS    H  78   PHE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,1199, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  29   LYS    H  78   PHE  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,1201, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  29   LYS    H  78   PHE  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,1202, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  29   LYS    H  78   PHE   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1201,1202,
 &end
#
#  29   LYS    H  78   PHE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1205,1213,
 &end
#
#  29   LYS    H  78   PHE   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1207,1211,
 &end
#
#  29   LYS    H  79   ILE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,1219, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  29   LYS    H  79   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1223,1224,1225,
 &end
#
#  29   LYS    H  79   ILE   QD 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2=1230,1231,1232,
 &end
#
#  29   LYS   QE  38   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 455, 456,
 igr2= 602, 611,
 &end
#
#  29   LYS   QE  38   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 455, 456,
 igr2= 604, 609,
 &end
#
#  29   LYS   QB  40   SER   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 446, 447,
 igr2= 633, 634,
 &end
#
#  29   LYS   QG  40   SER   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 449, 450,
 igr2= 633, 634,
 &end
#
#  29   LYS   QE  40   SER   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 455, 456,
 igr2= 633, 634,
 &end
#
#  29   LYS   QD  38   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 452, 453,
 igr2= 602, 611,
 &end
#
#  29   LYS   QD  38   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 452, 453,
 igr2= 604, 609,
 &end
#
#  29   LYS   QE  56   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 455, 456,
 igr2= 862, 863, 864,
 &end
#
#  29   LYS   QE  38   TYR    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 455, 456,
 &end
#
#  29   LYS    H  41   ILE   HB 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 644, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  29   LYS    H  41   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 650, 651,
 &end
#
#  29   LYS   QE  91   TRP    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1417, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 455, 456,
 &end
#
#  29   LYS   QE  78   PHE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 455, 456,
 igr2=1205,1213,
 &end
#
#  29   LYS   QE  61   LEU  QQD  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 455, 456,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  29   LYS   QE  67   ILE   HB 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1026, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 455, 456,
 &end
#
#  30   ILE   HA  30   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 464, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  30   ILE   HB  30   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 464, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  30   ILE   HB  30   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 477, 478, 479,
 &end
#
#  30   ILE   HB  30   ILE  QG2  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 470, 471, 472,
 &end
#
#  30   ILE   HA  31   TRP    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 483, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  30   ILE    H  31   TRP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 483, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  30   ILE  QG2  31   TRP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 470, 471, 472,
 &end
#
#  30   ILE   QD  31   TRP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 483, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 477, 478, 479,
 &end
#
#  30   ILE    H  38   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 596, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  30   ILE    H  39   THR    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 615, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  30   ILE   HA  39   THR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 615, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  30   ILE   HA  40   SER    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 629, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  30   ILE    H  40   SER   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 631, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  30   ILE    H  40   SER    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 629, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  30   ILE   QD  39   THR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 615, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 477, 478, 479,
 &end
#
#  30   ILE    H  39   THR  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 621, 622, 623,
 &end
#
#  30   ILE  QG2  77   PHE   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 470, 471, 472,
 igr2=1187,1191,
 &end
#
#  30   ILE   QD  77   PHE   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 477, 478, 479,
 igr2=1187,1191,
 &end
#
#  30   ILE  QG2  77   PHE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1179, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 470, 471, 472,
 &end
#
#  30   ILE   HA  77   PHE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466,1179, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  30   ILE   HA  78   PHE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466,1197, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  30   ILE   HA  78   PHE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 466,1197, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  30   ILE    H  38   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 602, 611,
 &end
#
#  30   ILE   QD  39   THR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 615, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 477, 478, 479,
 &end
#
#  30   ILE  QG2  41   ILE  QG1  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 470, 471, 472,
 igr2= 650, 651,
 &end
#
#  30   ILE    H  61   LEU   QB 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 464,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2= 947, 948,
 &end
#
#  30   ILE   HB  77   PHE   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 468,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1187,1191,
 &end
#
#  30   ILE   QD  75   LYS   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 477, 478, 479,
 igr2=1154,1155,
 &end
#
#  31   TRP   HA  31   TRP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 483, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  31   TRP   HA  32   ASP    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 507, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  31   TRP    H  32   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 507, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP   QB  32   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 507, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 487, 488,
 &end
#
#  31   TRP    H  76   CYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483,1166, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP    H  76   CYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1170,1171,
 &end
#
#  31   TRP    H  77   PHE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483,1179, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP    H  78   PHE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483,1197, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP   HA  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP   HA  38   TYR   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 596, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  31   TRP   HA  38   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 594, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  31   TRP   HA  39   THR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 615, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP  HZ2  36   LYS   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 496, 557, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  31   TRP  HH2  36   LYS   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 557, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP  HE1  72   ILE   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1106, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  31   TRP  HE1  37   MET    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 577, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  31   TRP  HE1  72   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1117,1118,1119,
 &end
#
#  31   TRP  HE1  72   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1114,1115,
 &end
#
#  31   TRP  HE1  73   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1123, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP  HE1  73   ASN   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1125, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP  HE1  74   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1137, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP  HE1  76   CYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1170,1171,
 &end
#
#  31   TRP  HE1  33   PRO   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 529, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  31   TRP  HE1  33   PRO   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 526, 527,
 &end
#
#  31   TRP  HE1  33   PRO   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 523, 524,
 &end
#
#  31   TRP  HE1  33   PRO   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 520, 521,
 &end
#
#  31   TRP  HE1  67   ILE  QG2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1028,1029,1030,
 &end
#
#  31   TRP  HE1  67   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1035,1036,1037,
 &end
#
#  31   TRP  HE1  67   ILE HG12  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1032, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP  HE1  67   ILE HG13  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,1033, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  31   TRP  HE1  67   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1035,1036,1037,
 &end
#
#  31   TRP  HZ2  72   ILE  QG2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 496,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1110,1111,1112,
 &end
#
#  31   TRP  HH2  72   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1110,1111,1112,
 &end
#
#  31   TRP  HZ3  61   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  31   TRP  HH2  61   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  31   TRP    H  77   PHE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 483,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1185,1193,
 &end
#
#  31   TRP  HE1  38   TYR   QD 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2= 602, 611,
 &end
#
#  31   TRP   QB  75   LYS    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 487, 488,
 &end
#
#  31   TRP  HE1  34   SER    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 493, 533, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,  &end
#
#  31   TRP  HH2  61   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  31   TRP   HA  32   ASP   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 485,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 511, 512,
 &end
#
#  31   TRP  HH2  36   LYS   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 568, 569,
 &end
#
#  32   ASP    H  32   ASP   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 509, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  32   ASP    H  32   ASP  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 511, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP    H  32   ASP  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 512, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP    H  32   ASP   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 511, 512,
 &end
#
#  32   ASP    H  36   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 555, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP    H  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP   QB  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 511, 512,
 &end
#
#  32   ASP    H  38   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 596, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP    H  39   THR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 615, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  32   ASP  HB2  34   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 533, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP  HB3  34   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 533, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP   QB  34   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 511, 512,
 &end
#
#  32   ASP   HA  33   PRO  HD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 520, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  32   ASP   HA  33   PRO  HD3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 521, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  32   ASP   HA  33   PRO   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 509,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 520, 521,
 &end
#
#  32   ASP   HA  34   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 533, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  32   ASP    H  34   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 533, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP    H  76   CYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507,1166, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  32   ASP   HA  76   CYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 509,1166, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP   QB  35   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 511, 512,
 &end
#
#  32   ASP   QB  35   SER    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 511, 512,
 &end
#
#  32   ASP    H  33   PRO   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 523, 524,
 &end
#
#  32   ASP   HA  75   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 509,1144, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  32   ASP    H  91   TRP   QB 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2=1421,1422,
 &end
#
#  33   PRO   HA  34   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 533, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  33   PRO  HB2  34   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 533, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  33   PRO  HB3  34   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 533, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  33   PRO   QG  34   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 523, 524,
 &end
#
#  33   PRO   QD  34   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 533, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 520, 521,
 &end
#
#  33   PRO   HA  35   SER    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 544, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  33   PRO   HA  36   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 555, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  33   PRO   HA  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  33   PRO   QG  36   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 555, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 523, 524,
 &end
#
#  33   PRO   QD  75   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 520, 521,
 &end
#
#  33   PRO   QD  76   CYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1166, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 520, 521,
 &end
#
#  33   PRO   QB  74   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 526, 527,
 &end
#
#  33   PRO   HA  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  33   PRO   QB  35   SER   QB 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 526, 527,
 igr2= 548, 549,
 &end
#
#  33   PRO   HA  36   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 568, 569,
 &end
#
#  33   PRO   HA  72   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 529,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1110,1111,1112,
 &end
#
#  33   PRO   QD  73   ASN   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1125, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 520, 521,
 &end
#
#  34   SER    H  34   SER   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 535, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  34   SER    H  34   SER   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 537, 538,
 &end
#
#  34   SER    H  35   SER    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 544, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  34   SER    H  35   SER   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 546, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  34   SER    H  36   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 555, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  34   SER   HA  36   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 555, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  34   SER    H  36   LYS   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 557, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  34   SER   HA  35   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 544, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  34   SER   QB  35   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 544, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 537, 538,
 &end
#
#  34   SER    H  35   SER   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 533,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 548, 549,
 &end
#
#  34   SER   QB  35   SER   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 537, 538,
 igr2= 548, 549,
 &end
#
#  34   SER   QB  36   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 555, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 537, 538,
 &end
#
#  35   SER    H  35   SER   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 546, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  35   SER    H  35   SER   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 548, 549,
 &end
#
#  35   SER   HA  35   SER   QB  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 548, 549,
 &end
#
#  35   SER    H  36   LYS    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 555, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  35   SER   HA  36   LYS    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 555, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  35   SER   HA  36   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 557, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  35   SER   HA  36   LYS   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 559, 560,
 &end
#
#  35   SER   HA  36   LYS   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 568, 569,
 &end
#
#  35   SER   QB  36   LYS    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 555, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 548, 549,
 &end
#
#  35   SER    H  36   LYS   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 557, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  35   SER    H  36   LYS   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 544,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 559, 560,
 &end
#
#  35   SER    H  37   MET    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 577, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  35   SER   HA  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  35   SER   HA  37   MET   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 546,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 584, 585,
 &end
#
#  35   SER   QB  37   MET   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 548, 549,
 igr2= 584, 585,
 &end
#
#  35   SER   QB  37   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 548, 549,
 igr2= 588, 589, 590,
 &end
#
#  35   SER   QB  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 548, 549,
 &end
#
#  35   SER    H  72   ILE   HA 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 544,1106, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  36   LYS    H  36   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 557, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  36   LYS    H  36   LYS   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 562, 563,
 &end
#
#  36   LYS    H  36   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 568, 569,
 &end
#
#  36   LYS   HA  36   LYS   QG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 562, 563,
 &end
#
#  36   LYS   QG  36   LYS   QE  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 562, 563,
 igr2= 568, 569,
 &end
#
#  36   LYS    H  37   MET    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 577, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  36   LYS   HA  37   MET    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 577, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  36   LYS   QB  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 559, 560,
 &end
#
#  36   LYS   QG  37   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 562, 563,
 &end
#
#  36   LYS   QE  37   MET    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 577, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 568, 569,
 &end
#
#  36   LYS    H  75   LYS   QD 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 555,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2=1154,1155,
 &end
#
#  36   LYS   QG  72   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 562, 563,
 igr2=1110,1111,1112,
 &end
#
#  36   LYS   QB  61   LEU   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 559, 560,
 igr2= 947, 948,
 &end
#
#  36   LYS   QB  72   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 559, 560,
 igr2=1114,1115,
 &end
#
#  36   LYS   QB  60   LYS   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 559, 560,
 igr2= 928, 929,
 &end
#
#  36   LYS   QG  67   ILE  QG2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 562, 563,
 igr2=1028,1029,1030,
 &end
#
#  36   LYS   HA  72   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1110,1111,1112,
 &end
#
#  36   LYS   QB  37   MET   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 559, 560,
 igr2= 584, 585,
 &end
#
#  36   LYS   QG  72   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 562, 563,
 igr2=1110,1111,1112,
 &end
#
#  36   LYS   QD  72   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 565, 566,
 igr2=1110,1111,1112,
 &end
#
#  37   MET    H  37   MET   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 579, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  37   MET    H  37   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 588, 589, 590,
 &end
#
#  37   MET    H  38   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 594, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  37   MET    H  38   TYR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 596, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  37   MET    H  38   TYR   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 598, 599,
 &end
#
#  37   MET   HA  38   TYR    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 594, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  37   MET   QE  38   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 588, 589, 590,
 &end
#
#  37   MET   QE  59   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 588, 589, 590,
 &end
#
#  37   MET   QE  60   LYS    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 588, 589, 590,
 &end
#
#  37   MET   QE  58   PRO   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 588, 589, 590,
 &end
#
#  37   MET   QE  58   PRO  HD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 891, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 588, 589, 590,
 &end
#
#  37   MET   QE  58   PRO  HD3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 588, 589, 590,
 &end
#
#  37   MET    H  61   LEU    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 943, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  37   MET    H  61   LEU   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 947, 948,
 &end
#
#  37   MET    H  58   PRO   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 897, 898,
 &end
#
#  37   MET    H  72   ILE   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577,1106, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  37   MET    H  38   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 602, 611,
 &end
#
#  37   MET    H  67   ILE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 577,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1035,1036,1037,
 &end
#
#  38   TYR    H  38   TYR   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 596, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  38   TYR    H  38   TYR   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 598, 599,
 &end
#
#  38   TYR    H  38   TYR   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 602, 611,
 &end
#
#  38   TYR    H  38   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 604, 609,
 &end
#
#  38   TYR   HA  38   TYR   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 596,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 602, 611,
 &end
#
#  38   TYR    H  39   THR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 615, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR    H  58   PRO   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 900, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  38   TYR    H  59   GLN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 904, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  38   TYR   HA  39   THR    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 596, 615, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  38   TYR  HB2  39   THR    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 615, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  38   TYR  HB3  39   THR    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 599, 615, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  38   TYR   QD  39   THR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 615, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  40   SER   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 igr2= 633, 634,
 &end
#
#  38   TYR   QE  40   SER   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 604, 609,
 igr2= 633, 634,
 &end
#
#  38   TYR   QD  61   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 602, 611,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  38   TYR   QE  61   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 604, 609,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  38   TYR   QD  59   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QE  59   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR   QD  61   LEU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QE  61   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR   QD  61   LEU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QE  61   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR   QD  61   LEU   HG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 950, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QE  61   LEU   HG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 950, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR   QE  61   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 604, 609,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  38   TYR   HH  61   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 607, 943, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR   QE  40   SER   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 604, 609,
 igr2= 633, 634,
 &end
#
#  38   TYR   QD  40   SER   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 602, 611,
 igr2= 633, 634,
 &end
#
#  38   TYR   QD  40   SER    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 629, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  62   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QE  62   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR    H  58   PRO   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 897, 898,
 &end
#
#  38   TYR    H  61   LEU  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 947, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR    H  61   LEU  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 948, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR   QD  41   ILE    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  67   ILE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 igr2=1035,1036,1037,
 &end
#
#  38   TYR   QE  61   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 604, 609,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  38   TYR   QD  61   LEU   HG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 950, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QE  59   GLN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 604, 609,
 igr2= 908, 909,
 &end
#
#  38   TYR   QD  58   PRO   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR  HD1  59   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 904, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR  HD2  59   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 904, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR   QD  59   GLN   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  61   LEU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 602, 611,
 igr2= 947, 948,
 &end
#
#  38   TYR  HD1  91   TRP  HZ3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 602,1434, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR  HD2  91   TRP  HZ3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1434, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR  HD1  91   TRP  HH2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 602,1432, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR  HD2  91   TRP  HH2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 611,1432, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR  HE1  58   PRO   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 900, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  38   TYR  HE2  58   PRO   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 900, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  38   TYR  HE1  59   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 904, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR  HE2  59   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 904, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  38   TYR  HE1  59   GLN   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 604,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 908, 909,
 &end
#
#  38   TYR  HE2  59   GLN   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 609,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 908, 909,
 &end
#
#  38   TYR   QD  56   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 igr2= 855, 856, 857,
 &end
#
#  38   TYR   QD  56   ILE   HB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  56   ILE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 igr2= 862, 863, 864,
 &end
#
#  38   TYR   QD  57   LYS    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  57   LYS   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 870, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  58   PRO   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 igr2= 891, 892,
 &end
#
#  38   TYR   QD  60   LYS    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  61   LEU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  61   LEU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  61   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 602, 611,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  38   TYR   QD  62   GLY    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 &end
#
#  38   TYR   QD  65   GLU   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 igr2=1000,1001,
 &end
#
#  38   TYR   QD  65   GLU   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 602, 611,
 igr2=1003,1004,
 &end
#
#  38   TYR   QE  56   ILE   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 851, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR   QE  56   ILE   HB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR   QE  56   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 604, 609,
 igr2= 855, 856, 857,
 &end
#
#  38   TYR   QE  56   ILE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 604, 609,
 igr2= 862, 863, 864,
 &end
#
#  38   TYR   QE  57   LYS    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR   QE  57   LYS   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 870, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 604, 609,
 &end
#
#  38   TYR   QE  57   LYS   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 604, 609,
 igr2= 872, 873,
 &end
#
#  38   TYR   QB  58   PRO   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 900, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 598, 599,
 &end
#
#  38   TYR   QB  59   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 598, 599,
 &end
#
#  38   TYR   QB  61   LEU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 598, 599,
 igr2= 947, 948,
 &end
#
#  38   TYR   QB  61   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 598, 599,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  39   THR    H  39   THR   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 617, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  39   THR    H  39   THR   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 619, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  39   THR    H  39   THR  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 621, 622, 623,
 &end
#
#  39   THR   HA  40   SER    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  39   THR   HB  40   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 629, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  39   THR    H  40   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 629, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  39   THR   HA  56   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 849, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  39   THR    H  56   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 615,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 862, 863, 864,
 &end
#
#  39   THR  QG2  58   PRO  HD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 891, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 621, 622, 623,
 &end
#
#  39   THR  QG2  58   PRO  HD3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 892, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 621, 622, 623,
 &end
#
#  39   THR  QG2  58   PRO   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 621, 622, 623,
 igr2= 891, 892,
 &end
#
#  39   THR  QG2  58   PRO   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 621, 622, 623,
 igr2= 897, 898,
 &end
#
#  39   THR    H  59   GLN    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 615, 904, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,  &end
#
#  39   THR  QG2  55   GLU   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 621, 622, 623,
 igr2= 838, 839,
 &end
#
#  39   THR  QG2  59   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 621, 622, 623,
 &end
#
#  39   THR  QG2  56   ILE   HB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 853, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 621, 622, 623,
 &end
#
#  40   SER    H  40   SER   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 631, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  40   SER    H  40   SER   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 633, 634,
 &end
#
#  40   SER   HA  41   ILE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 640, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  40   SER   QB  41   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 640, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 633, 634,
 &end
#
#  40   SER    H  41   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 640, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  40   SER    H  56   ILE   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 853, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  40   SER    H  56   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 862, 863, 864,
 &end
#
#  40   SER   QB  56   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 633, 634,
 igr2= 862, 863, 864,
 &end
#
#  40   SER    H  56   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 855, 856, 857,
 &end
#
#  40   SER    H  58   PRO   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629, 900, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  40   SER    H  55   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 629,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 838, 839,
 &end
#
#  40   SER   HA  41   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 631,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 650, 651,
 &end
#
#  41   ILE    H  41   ILE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 640, 642, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  41   ILE   QD  43   ASN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 653, 654, 655,
 igr2= 677, 678,
 &end
#
#  41   ILE   HA  42   PRO  HD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 660, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  41   ILE   HA  42   PRO  HD3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 661, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  41   ILE   HA  42   PRO   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 642,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 660, 661,
 &end
#
#  41   ILE   QD  42   PRO   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 653, 654, 655,
 igr2= 660, 661,
 &end
#
#  41   ILE   HB  42   PRO   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 644,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 660, 661,
 &end
#
#  41   ILE  QG2  42   PRO  HD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 660, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 646, 647, 648,
 &end
#
#  41   ILE  QG2  42   PRO  HD3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 661, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 646, 647, 648,
 &end
#
#  41   ILE   HA  56   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 849, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  41   ILE   HA  57   LYS    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 868, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  41   ILE  QG2  55   GLU   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 646, 647, 648,
 &end
#
#  41   ILE  QG2  55   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 646, 647, 648,
 igr2= 838, 839,
 &end
#
#  41   ILE  QG2  55   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 646, 647, 648,
 igr2= 841, 842,
 &end
#
#  41   ILE   QD  56   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 653, 654, 655,
 igr2= 859, 860,
 &end
#
#  41   ILE   QD  43   ASN   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 653, 654, 655,
 igr2= 677, 678,
 &end
#
#  41   ILE  QG2  42   PRO   HA  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 669, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1= 646, 647, 648,
 &end
#
#  41   ILE   HB  56   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 644,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 859, 860,
 &end
#
#  42   PRO   HA  43   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 673, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  42   PRO   HA  44   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 669, 687, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  42   PRO   QD  56   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 660, 661,
 igr2= 862, 863, 864,
 &end
#
#  42   PRO   QD  56   ILE  QG1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 660, 661,
 igr2= 859, 860,
 &end
#
#  42   PRO   QB  53   THR  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 666, 667,
 igr2= 804, 805, 806,
 &end
#
#  42   PRO   QD  54   LYS   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 660, 661,
 igr2= 819, 820,
 &end
#
#  42   PRO   QB  54   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 814, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 666, 667,
 &end
#
#  42   PRO  HB2  51   GLN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 666,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 775, 776,
 &end
#
#  42   PRO  HB3  51   GLN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 667,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 775, 776,
 &end
#
#  43   ASN   QB  54   LYS    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 812, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1= 677, 678,
 &end
#
#  44   ASP    H  44   ASP   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 687,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 691, 692,
 &end
#
#  44   ASP   HA  45   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 689, 699, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  44   ASP   QB  45   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 691, 692,
 &end
#
#  45   LYS    H  45   LYS   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 703, 704,
 &end
#
#  45   LYS   QB  46   PRO   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 703, 704,
 igr2= 722, 723,
 &end
#
#  45   LYS   HA  46   PRO  HD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 722, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  45   LYS   HA  46   PRO  HD3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 723, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  45   LYS   HA  46   PRO   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 722, 723,
 &end
#
#  45   LYS    H  46   PRO   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 722, 723,
 &end
#
#  45   LYS    H  52   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 792, 793, 794,
 &end
#
#  46   PRO   QB  50   SER    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 728, 729,
 &end
#
#  46   PRO   QG  49   SER   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 751, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 725, 726,
 &end
#
#  46   PRO   QD  53   THR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 722, 723,
 &end
#
#  46   PRO  HD2  52   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 722,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 792, 793, 794,
 &end
#
#  46   PRO  HD3  52   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 723,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 792, 793, 794,
 &end
#
#  46   PRO   QD  52   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 722, 723,
 igr2= 792, 793, 794,
 &end
#
#  46   PRO   QD  47   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 722, 723,
 &end
#
#  46   PRO   QD  48   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 722, 723,
 &end
#
#  46   PRO   QD  52   ALA    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 788, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 722, 723,
 &end
#
#  46   PRO   QD  52   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 790, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 722, 723,
 &end
#
#  46   PRO   QG  47   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 725, 726,
 &end
#
#  46   PRO   QG  48   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 725, 726,
 &end
#
#  46   PRO   QG  49   SER    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 725, 726,
 &end
#
#  46   PRO   QB  47   GLY    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 728, 729,
 &end
#
#  46   PRO   QB  47   GLY   QA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 728, 729,
 igr2= 737, 738,
 &end
#
#  46   PRO   QB  48   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 742, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 728, 729,
 &end
#
#  46   PRO   HA  47   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 735, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  46   PRO   HA  47   GLY  HA2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 737, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  46   PRO   HA  47   GLY  HA3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 738, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  46   PRO   HA  47   GLY   QA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 731,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 737, 738,
 &end
#
#  46   PRO   HA  48   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 731, 742, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  47   GLY   QA  47   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 737, 738,
 &end
#
#  47   GLY    H  48   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 742, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  47   GLY    H  48   GLY   QA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 735,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 744, 745,
 &end
#
#  47   GLY  HA2  48   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 742, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  47   GLY  HA3  48   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 742, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  47   GLY   QA  48   GLY  HA2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 744, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 737, 738,
 &end
#
#  47   GLY   QA  48   GLY  HA3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 745, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 737, 738,
 &end
#
#  48   GLY    H  49   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 749, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  48   GLY    H  49   SER   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 751, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  48   GLY  HA2  49   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 744, 749, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  48   GLY  HA3  49   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 745, 749, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  48   GLY   QA  49   SER   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 751, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 744, 745,
 &end
#
#  48   GLY   QA  49   SER   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 744, 745,
 igr2= 753, 754,
 &end
#
#  49   SER    H  49   SER   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 751, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  49   SER    H  50   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 760, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  49   SER   HA  50   SER    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 760, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  49   SER   HA  50   SER   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 751, 762, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  49   SER   HA  50   SER   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 751,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 764, 765,
 &end
#
#  49   SER   QB  50   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 760, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 753, 754,
 &end
#
#  50   SER    H  51   GLN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 771, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  50   SER    H  51   GLN   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 760, 773, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  50   SER   HA  51   GLN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 771, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  50   SER   HA  51   GLN   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 773, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  50   SER   HA  51   GLN   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 762,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 778, 779,
 &end
#
#  50   SER   QB  51   GLN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 771, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 764, 765,
 &end
#
#  50   SER   QB  51   GLN   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 773, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 764, 765,
 &end
#
#  51   GLN    H  52   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 788, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  51   GLN    H  52   ALA   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 771, 790, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  51   GLN    H  51   GLN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 775, 776,
 &end
#
#  51   GLN   QB  52   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 788, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 775, 776,
 &end
#
#  51   GLN   QB  53   THR   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 775, 776,
 &end
#
#  51   GLN   HA  52   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 773, 788, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  51   GLN   HA  52   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 773,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 792, 793, 794,
 &end
#
#  51   GLN   QB  52   ALA   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 775, 776,
 igr2= 792, 793, 794,
 &end
#
#  51   GLN   QG  52   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 778, 779,
 igr2= 792, 793, 794,
 &end
#
#  52   ALA   HA  52   ALA    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 788, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  52   ALA   QB  52   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 788, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 792, 793, 794,
 &end
#
#  52   ALA   HA  53   THR    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 798, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  52   ALA   QB  53   THR    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 798, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 792, 793, 794,
 &end
#
#  52   ALA   QB  53   THR   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 792, 793, 794,
 &end
#
#  52   ALA   QB  56   ILE   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 851, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 792, 793, 794,
 &end
#
#  52   ALA    H  53   THR    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 788, 798, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  52   ALA   HA  53   THR   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 800, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  52   ALA   HA  53   THR   HB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 790, 802, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  53   THR    H  53   THR   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 800, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  53   THR    H  54   LYS    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 812, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  53   THR   HA  54   LYS    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 812, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  53   THR   HA  53   THR  QG2  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 804, 805, 806,
 &end
#
#  53   THR   HB  56   ILE   HB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 802, 853, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  53   THR   HA  56   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 862, 863, 864,
 &end
#
#  53   THR   HA  54   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 814, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  54   LYS    H  54   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 814, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  54   LYS   QB  54   LYS   QE  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 816, 817,
 igr2= 825, 826,
 &end
#
#  54   LYS   HA  55   GLU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 834, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  54   LYS   QB  55   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 834, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 816, 817,
 &end
#
#  54   LYS   QG  55   GLU    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 834, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 819, 820,
 &end
#
#  54   LYS   QD  55   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 834, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 822, 823,
 &end
#
#  54   LYS    H  55   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 834, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  54   LYS   QG  54   LYS   QE  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 819, 820,
 igr2= 825, 826,
 &end
#
#  54   LYS    H  56   ILE  QG2 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2= 855, 856, 857,
 &end
#
#  54   LYS    H  56   ILE  QG1  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2= 859, 860,
 &end
#
#  54   LYS    H  55   GLU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 836, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  54   LYS   HA  55   GLU   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 836, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  54   LYS   HA  55   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 814,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 838, 839,
 &end
#
#  54   LYS   HA  56   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 814, 849, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  54   LYS   QB  55   GLU   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 836, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 816, 817,
 &end
#
#  54   LYS   QB  55   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 816, 817,
 igr2= 838, 839,
 &end
#
#  54   LYS   QB  56   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 816, 817,
 &end
#
#  54   LYS   QB  56   ILE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 851, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 816, 817,
 &end
#
#  54   LYS   QB  56   ILE  QG1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 816, 817,
 igr2= 859, 860,
 &end
#
#  55   GLU    H  55   GLU   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 836, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  55   GLU    H  55   GLU   QB  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 834,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 838, 839,
 &end
#
#  55   GLU   HA  56   ILE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 849, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  55   GLU   QB  56   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 838, 839,
 &end
#
#  55   GLU   QG  56   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 849, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 841, 842,
 &end
#
#  55   GLU   HA  56   ILE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 851, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  55   GLU   HA  56   ILE   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 836, 853, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  55   GLU   HA  56   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 836,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 859, 860,
 &end
#
#  55   GLU    H  56   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 849, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  56   ILE    H  56   ILE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 851, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  56   ILE    H  56   ILE  QG1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 849,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 859, 860,
 &end
#
#  56   ILE    H  56   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 849,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 855, 856, 857,
 &end
#
#  56   ILE   HA  57   LYS    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 868, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  56   ILE  QG1  57   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 859, 860,
 &end
#
#  56   ILE  QG2  57   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 855, 856, 857,
 &end
#
#  56   ILE   QD  57   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 868, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 862, 863, 864,
 &end
#
#  56   ILE  QG2  57   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 870, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 855, 856, 857,
 &end
#
#  56   ILE   HA  57   LYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 872, 873,
 &end
#
#  56   ILE   HA  57   LYS   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 875, 876,
 &end
#
#  56   ILE    H  57   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 849, 870, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  56   ILE   HA  57   LYS   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 851, 870, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  56   ILE  QG2  59   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 855, 856, 857,
 &end
#
#  57   LYS    H  57   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 870, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  57   LYS    H  57   LYS   QB  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 872, 873,
 &end
#
#  57   LYS    H  57   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 881, 882,
 &end
#
#  57   LYS    H  58   PRO   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 868,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2= 897, 898,
 &end
#
#  57   LYS   QB  57   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 872, 873,
 igr2= 881, 882,
 &end
#
#  57   LYS   HA  58   PRO   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 870,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2= 891, 892,
 &end
#
#  57   LYS   HA  58   PRO  HD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 891, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  57   LYS   HA  58   PRO  HD3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 870, 892, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  57   LYS    H  59   GLN   HA  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 868, 906, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,  &end
#
#  57   LYS   QB  58   PRO   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 872, 873,
 igr2= 891, 892,
 &end
#
#  57   LYS   QB  58   PRO   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 872, 873,
 igr2= 894, 895,
 &end
#
#  58   PRO   HA  59   GLN    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 904, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  58   PRO   HA  59   GLN   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 900, 906, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  58   PRO   HA  59   GLN   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 900,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 908, 909,
 &end
#
#  58   PRO  HB2  59   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 897, 904, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  58   PRO  HB3  59   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 898, 904, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  58   PRO   QB  59   GLN    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 897, 898,
 &end
#
#  58   PRO   QG  59   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 894, 895,
 &end
#
#  58   PRO   QD  59   GLN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 904, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 891, 892,
 &end
#
#  58   PRO   QB  59   GLN   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 906, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 897, 898,
 &end
#
#  59   GLN    H  59   GLN   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 906, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  59   GLN   HA  60   LYS    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 921, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  59   GLN    H  60   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 904, 921, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  59   GLN   HA  60   LYS   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 906, 923, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  59   GLN   HA  60   LYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 906,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 925, 926,
 &end
#
#  59   GLN    H  61   LEU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 904,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 947, 948,
 &end
#
#  60   LYS   HA  60   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 921, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  60   LYS  HB2  60   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 925, 921, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  60   LYS  HB3  60   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 926, 921, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  60   LYS   QB  60   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 925, 926,
 &end
#
#  60   LYS   QG  60   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 928, 929,
 &end
#
#  60   LYS   QE  60   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 934, 935,
 &end
#
#  60   LYS    H  61   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 943, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  60   LYS   HA  61   LEU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 943, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  60   LYS   QE  61   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 943, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 934, 935,
 &end
#
#  60   LYS   QB  61   LEU   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 945, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 925, 926,
 &end
#
#  60   LYS   HA  61   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 923, 943, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  60   LYS   HA  61   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 923,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  60   LYS    H  61   LEU   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 921, 945, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  61   LEU    H  61   LEU   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 945, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  61   LEU    H  61   LEU   HG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 950, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  61   LEU    H  61   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 943,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  61   LEU    H  62   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 962, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  61   LEU   HA  62   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 962, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  61   LEU  HB2  62   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 947, 962, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  61   LEU  HB3  62   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 962, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  61   LEU   QB  62   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 947, 948,
 &end
#
#  61   LEU  QQD  62   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 &end
#
#  61   LEU   HG  67   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 950,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1035,1036,1037,
 &end
#
#  61   LEU  QD1  67   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 952, 953, 954,
 igr2=1035,1036,1037,
 &end
#
#  61   LEU  QD2  67   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 956, 957, 958,
 igr2=1035,1036,1037,
 &end
#
#  61   LEU  QQD  67   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 igr2=1035,1036,1037,
 &end
#
#  61   LEU  QQD  67   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 igr2=1028,1029,1030,
 &end
#
#  61   LEU  QD1  67   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 952, 953, 954,
 igr2=1032,1033,
 &end
#
#  61   LEU  QD2  67   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 956, 957, 958,
 igr2=1032,1033,
 &end
#
#  61   LEU  QQD  91   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 &end
#
#  61   LEU  QQD  65   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 996, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 &end
#
#  61   LEU  QQD  65   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 igr2=1003,1004,
 &end
#
#  61   LEU  QD2  62   GLY   QA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 956, 957, 958,
 igr2= 964, 965,
 &end
#
#  61   LEU  QD1  62   GLY   QA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 952, 953, 954,
 igr2= 964, 965,
 &end
#
#  61   LEU  QQD  62   GLY   QA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 igr2= 964, 965,
 &end
#
#  61   LEU  QQD  67   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 &end
#
#  61   LEU   HG  67   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 950,1022, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  61   LEU  QQD  65   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 996, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 &end
#
#  61   LEU  QQD  65   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 igr2=1003,1004,
 &end
#
#  61   LEU   HG  65   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 950,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1003,1004,
 &end
#
#  61   LEU  QQD  66   SER   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 igr2=1015,1016,
 &end
#
#  61   LEU  QQD  66   SER   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1013, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1= 952, 953, 954, 956, 957, 958,
 &end
#
#  61   LEU   QB  63   GLU   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1= 947, 948,
 igr2= 976, 977,
 &end
#
#  62   GLY   QA  62   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 962, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1= 964, 965,
 &end
#
#  62   GLY    H  63   GLU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 969, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  62   GLY  HA2  63   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 969, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  62   GLY  HA3  63   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 969, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  62   GLY   QA  63   GLU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,     
 igr1= 964, 965,
 &end
#
#  62   GLY    H  64   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 962, 984, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  62   GLY   QA  64   ASP    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1= 964, 965,
 &end
#
#  62   GLY  HA2  64   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 964, 984, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  62   GLY  HA3  64   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 965, 984, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  62   GLY    H  91   TRP  HZ2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 962,1430, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  62   GLY    H  91   TRP  HH2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat= 962,1432, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  63   GLU    H  64   ASP    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 984, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  63   GLU    H  63   GLU   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 969, 971, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  63   GLU    H  63   GLU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2= 973, 974,
 &end
#
#  63   GLU    H  63   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 969,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2= 976, 977,
 &end
#
#  63   GLU   HA  64   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 984, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  63   GLU   QB  64   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 973, 974,
 &end
#
#  64   ASP   HA  64   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 984, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  64   ASP   QB  64   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 984, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1= 988, 989,
 &end
#
#  64   ASP   HA  65   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 986, 996, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  64   ASP   QB  65   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 996, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1= 988, 989,
 &end
#
#  64   ASP    H  65   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 984, 996, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  65   GLU    H  65   GLU   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 996, 998, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  65   GLU    H  65   GLU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 996,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1000,1001,
 &end
#
#  65   GLU    H  65   GLU  HG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1003, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  65   GLU    H  65   GLU  HG3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1004, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  65   GLU   HA  65   GLU   QG  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 998,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1003,1004,
 &end
#
#  65   GLU    H  66   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1011, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  65   GLU   HA  66   SER    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1011, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  65   GLU   QG  66   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1011, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1003,1004,
 &end
#
#  65   GLU   HA  91   TRP  HE1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1427, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  65   GLU   QG  91   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1003,1004,
 &end
#
#  65   GLU   HA  90   GLU    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1402, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  65   GLU   HA  90   GLU   HA  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1404, r1= 1.30,  r2= 1.8, r3= 5.50, r4= 6.00,  &end
#
#  65   GLU   QG  67   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1003,1004,
 igr2=1028,1029,1030,
 &end
#
#  65   GLU   HA  92   VAL    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat= 998,1441, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  65   GLU   QB  78   PHE    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1=1000,1001,
 &end
#
#  66   SER    H  66   SER   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1013, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  66   SER    H  66   SER   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1011,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1015,1016,
 &end
#
#  66   SER   HA  67   ILE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1022, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  66   SER   QB  67   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1022, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1015,1016,
 &end
#
#  66   SER    H  67   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1022, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  66   SER    H  91   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1011,1427, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  66   SER    H  67   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1011,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1035,1036,1037,
 &end
#
#  66   SER   QB  67   ILE  QG2  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1015,1016,
 igr2=1028,1029,1030,
 &end
#
#  66   SER   HA  68   PRO   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1051, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  67   ILE    H  67   ILE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1024, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  67   ILE    H  67   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1022,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1028,1029,1030,
 &end
#
#  67   ILE    H  67   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1022,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1035,1036,1037,
 &end
#
#  67   ILE   HA  67   ILE  QG2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1028,1029,1030,
 &end
#
#  67   ILE   QD  91   TRP  HE1  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1=1035,1036,1037,
 &end
#
#  67   ILE  QG1  91   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1032,1033,
 &end
#
#  67   ILE  QG2  91   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1028,1029,1030,
 &end
#
#  67   ILE  QG2  71   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1028,1029,1030,
 &end
#
#  67   ILE  QG2  72   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1028,1029,1030,
 &end
#
#  67   ILE  QG2  71   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1028,1029,1030,
 igr2=1098,1099,1100,
 &end
#
#  67   ILE  QG2  71   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1028,1029,1030,
 igr2=1091,1092,1093,
 &end
#
#  67   ILE   QD  72   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1035,1036,1037,
 igr2=1117,1118,1119,
 &end
#
#  67   ILE  QG2  72   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1028,1029,1030,
 igr2=1117,1118,1119,
 &end
#
#  67   ILE   QD  72   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1035,1036,1037,
 igr2=1114,1115,
 &end
#
#  67   ILE   QD  76   CYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1035,1036,1037,
 igr2=1170,1171,
 &end
#
#  67   ILE   HA  68   PRO  HD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1042, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  67   ILE   HA  68   PRO  HD3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1043, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  67   ILE   HA  68   PRO   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1042,1043,
 &end
#
#  67   ILE  QG2  68   PRO  HD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1042, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1028,1029,1030,
 &end
#
#  67   ILE  QG2  68   PRO  HD3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1043, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1028,1029,1030,
 &end
#
#  67   ILE  QG2  68   PRO   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1028,1029,1030,
 igr2=1042,1043,
 &end
#
#  67   ILE    H  72   ILE  QG2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=1022,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1110,1111,1112,
 &end
#
#  67   ILE    H  71   ILE   QD  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1022,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1098,1099,1100,
 &end
#
#  67   ILE  QG2  74   GLY    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1028,1029,1030,
 &end
#
#  67   ILE    H  73   ASN    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1123, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  67   ILE   HA  91   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1427, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  67   ILE   QD  76   CYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1035,1036,1037,
 igr2=1170,1171,
 &end
#
#  67   ILE  QG2  76   CYS   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1028,1029,1030,
 igr2=1170,1171,
 &end
#
#  67   ILE   HA  67   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1024,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1035,1036,1037,
 &end
#
#  67   ILE   HA  78   PHE   HA 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1199, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  67   ILE   HA  68   PRO   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1024,1051, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  68   PRO   HA  69   GLU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1055, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  68   PRO   QB  69   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1048,1049,
 &end
#
#  68   PRO   QD  69   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1055, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1042,1043,
 &end
#
#  68   PRO   HA  70   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1070, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  68   PRO   QB  70   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1048,1049,
 &end
#
#  68   PRO   HA  71   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1085, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  68   PRO   QD  71   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1042,1043,
 igr2=1098,1099,1100,
 &end
#
#  68   PRO   QB  71   ILE   QD  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1048,1049,
 igr2=1098,1099,1100,
 &end
#
#  68   PRO   QD  71   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1042,1043,
 &end
#
#  68   PRO   QB  71   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1048,1049,
 &end
#
#  69   GLU    H  69   GLU   HA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1057, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  69   GLU    H  69   GLU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1055,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1059,1060,
 &end
#
#  69   GLU    H  69   GLU   QG  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1055,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1062,1063,
 &end
#
#  69   GLU   HA  69   GLU   QG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1057,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1062,1063,
 &end
#
#  69   GLU    H  70   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1070, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  69   GLU   HA  70   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1070, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  69   GLU   QB  70   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1059,1060,
 &end
#
#  69   GLU   QG  70   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1070, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1062,1063,
 &end
#
#  69   GLU    H  71   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1055,1085, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  69   GLU   HA  71   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1085, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  69   GLU   HA  72   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1104, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  69   GLU   QB  72   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1059,1060,
 &end
#
#  69   GLU   HA  72   ILE   HB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1057,1108, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  69   GLU   HA  72   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1057,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1110,1111,1112,
 &end
#
#  69   GLU   HA  72   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1057,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1117,1118,1119,
 &end
#
#  69   GLU   QB  72   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1059,1060,
 igr2=1110,1111,1112,
 &end
#
#  69   GLU   QG  72   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1062,1063,
 igr2=1110,1111,1112,
 &end
#
#  69   GLU   QG  72   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1062,1063,
 igr2=1117,1118,1119,
 &end
#
#  69   GLU    H  72   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1055,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1110,1111,1112,
 &end
#
#  70   GLU    H  70   GLU   HA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1072, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  70   GLU    H  70   GLU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1074,1075,
 &end
#
#  70   GLU    H  70   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1077,1078,
 &end
#
#  70   GLU    H  71   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1085, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  70   GLU    H  71   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1091,1092,1093,
 &end
#
#  70   GLU    H  72   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1104, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  70   GLU   HA  71   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1085, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  70   GLU   QB  71   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1074,1075,
 &end
#
#  70   GLU   QG  71   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1077,1078,
 &end
#
#  70   GLU   HA  72   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1104, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  70   GLU   HA  73   ASN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1123, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  70   GLU   QB  71   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1074,1075,
 igr2=1098,1099,1100,
 &end
#
#  70   GLU   QG  71   ILE  QG2  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1077,1078,
 igr2=1091,1092,1093,
 &end
#
#  71   ILE    H  71   ILE   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1085,1087, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  71   ILE    H  71   ILE   HB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1085,1089, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  71   ILE    H  71   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1085,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1091,1092,1093,
 &end
#
#  71   ILE   HB  71   ILE   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1089,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1098,1099,1100,
 &end
#
#  71   ILE    H  71   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1085,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1098,1099,1100,
 &end
#
#  71   ILE    H  72   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1085,1104, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  71   ILE  QG2  72   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1104, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1091,1092,1093,
 &end
#
#  71   ILE    H  73   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1085,1123, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  71   ILE    H  73   ASN  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1085,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1132,1133,
 &end
#
#  71   ILE   HA  74   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1087,1137, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  71   ILE   QD  93   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1457, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1098,1099,1100,
 &end
#
#  71   ILE  QG2  93   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1457, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1091,1092,1093,
 &end
#
#  71   ILE  QG2  94   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1091,1092,1093,
 &end
#
#  71   ILE    H  72   ILE   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1085,1106, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  71   ILE    H  72   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1085,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1117,1118,1119,
 &end
#
#  71   ILE   QD  76   CYS   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1098,1099,1100,
 igr2=1170,1171,
 &end
#
#  71   ILE   QD  91   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1098,1099,1100,
 &end
#
#  72   ILE    H  72   ILE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1106, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  72   ILE    H  72   ILE   HB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1108, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  72   ILE    H  72   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1104,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1114,1115,
 &end
#
#  72   ILE    H  72   ILE  QG2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1104,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1110,1111,1112,
 &end
#
#  72   ILE    H  72   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1104,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1117,1118,1119,
 &end
#
#  72   ILE   HA  72   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1106,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1117,1118,1119,
 &end
#
#  72   ILE   HB  72   ILE   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1108,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1117,1118,1119,
 &end
#
#  72   ILE    H  73   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1123, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  72   ILE   HA  73   ASN    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1123, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  72   ILE   HA  74   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1106,1137, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  72   ILE  QG2  73   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1110,1111,1112,
 &end
#
#  72   ILE  QG2  73   ASN HD21  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1132, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1110,1111,1112,
 &end
#
#  72   ILE  QG2  73   ASN HD22  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1133, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1110,1111,1112,
 &end
#
#  72   ILE  QG2  73   ASN  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1110,1111,1112,
 igr2=1132,1133,
 &end
#
#  72   ILE  QG2  73   ASN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1110,1111,1112,
 igr2=1127,1128,
 &end
#
#  72   ILE  QG2  74   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1110,1111,1112,
 &end
#
#  72   ILE   QD  74   GLY    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1117,1118,1119,
 &end
#
#  72   ILE    H  76   CYS    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=1104,1166, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  72   ILE  QG1  73   ASN   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1114,1115,
 igr2=1127,1128,
 &end
#
#  73   ASN    H  73   ASN   HA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1125, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  73   ASN  HB2  73   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1123, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  73   ASN  HB3  73   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1128,1123, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  73   ASN   QB  74   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1127,1128,
 &end
#
#  73   ASN HD21  73   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1123, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  73   ASN HD21  73   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1123, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  73   ASN  QD2  73   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1123, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1132,1133,
 &end
#
#  73   ASN   HA  74   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1125,1137, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  73   ASN  HB2  74   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1127,1137, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  73   ASN  HB3  74   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1128,1137, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  73   ASN   QB  74   GLY    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1=1127,1128,
 &end
#
#  73   ASN HD21  74   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1132,1137, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  73   ASN HD22  74   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1133,1137, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  73   ASN  QD2  74   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1137, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1132,1133,
 &end
#
#  73   ASN    H  74   GLY    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1123,1137, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  74   GLY    H  74   GLY  HA2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1139, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  74   GLY    H  74   GLY  HA3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1140, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  74   GLY    H  74   GLY   QA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1137,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1139,1140,
 &end
#
#  74   GLY    H  75   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1144, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  74   GLY  HA2  75   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1139,1144, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  74   GLY  HA3  75   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1140,1144, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  74   GLY   QA  75   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1144, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1139,1140,
 &end
#
#  74   GLY   QA  94   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1139,1140,
 &end
#
#  74   GLY   QA  94   TYR   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1139,1140,
 igr2=1468,1469,
 &end
#
#  74   GLY   QA  94   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1139,1140,
 igr2=1472,1481,
 &end
#
#  74   GLY   QA  93   GLY   QA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1139,1140,
 igr2=1459,1460,
 &end
#
#  74   GLY   QA  75   LYS   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1139,1140,
 igr2=1151,1152,
 &end
#
#  74   GLY   QA  75   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1146, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1139,1140,
 &end
#
#  75   LYS    H  75   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1146, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  75   LYS    H  75   LYS   QG  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1151,1152,
 &end
#
#  75   LYS    H  75   LYS   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1154,1155,
 &end
#
#  75   LYS   HA  75   LYS   QG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1146,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1151,1152,
 &end
#
#  75   LYS    H  76   CYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1144,1166, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  75   LYS   HA  76   CYS    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1146,1166, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  75   LYS   QB  76   CYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1166, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1148,1149,
 &end
#
#  75   LYS  HG2  76   CYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1151,1166, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  75   LYS  HG3  76   CYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1152,1166, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  75   LYS   QG  76   CYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1166, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1151,1152,
 &end
#
#  75   LYS   QE  76   CYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1166, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1157,1158,
 &end
#
#  75   LYS   QG  77   PHE  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1187, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1151,1152,
 &end
#
#  75   LYS   QG  77   PHE  HE2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1191, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1151,1152,
 &end
#
#  75   LYS   QG  77   PHE   HZ  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1151,1152,
 &end
#
#  75   LYS   QD  77   PHE   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1154,1155,
 igr2=1187,1191,
 &end
#
#  75   LYS   QD  77   PHE   HZ  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1189, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1154,1155,
 &end
#
#  75   LYS    H  94   TYR   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1144,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1468,1469,
 &end
#
#  75   LYS   QB  94   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1148,1149,
 &end
#
#  75   LYS   QG  94   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1151,1152,
 igr2=1472,1481,
 &end
#
#  75   LYS   QD  94   TYR   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1154,1155,
 igr2=1472,1481,
 &end
#
#  75   LYS   QE  76   CYS   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=1157,1158,
 igr2=1170,1171,
 &end
#
#  76   CYS   HA  76   CYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1166, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  76   CYS   QB  76   CYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1166, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1170,1171,
 &end
#
#  76   CYS   HA  76   CYS   QB  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1170,1171,
 &end
#
#  76   CYS   HA  77   PHE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1177, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  76   CYS    H  77   PHE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1177, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  76   CYS   HA  92   VAL    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1441, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  76   CYS   HA  93   GLY    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1457, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  76   CYS   HA  93   GLY   QA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1168,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1459,1460,
 &end
#
#  76   CYS    H  77   PHE  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1187, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  76   CYS    H  77   PHE  HE2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1166,1191, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  76   CYS   QB  91   TRP  HZ3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1434, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1170,1171,
 &end
#
#  76   CYS   QB  91   TRP  HE3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1170,1171,
 &end
#
#  76   CYS    H  77   PHE   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1166,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1187,1191,
 &end
#
#  76   CYS   HA  94   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1168,1464, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  77   PHE   HA  77   PHE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1177, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  77   PHE   QB  77   PHE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1177, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1181,1182,
 &end
#
#  77   PHE   QD  77   PHE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1177, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1185,1193,
 &end
#
#  77   PHE   QE  77   PHE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1177, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1187,1191,
 &end
#
#  77   PHE    H  78   PHE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1197, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  77   PHE   HA  78   PHE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1179,1197, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  77   PHE   QB  78   PHE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1197, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1181,1182,
 &end
#
#  77   PHE    H  92   VAL    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1441, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  77   PHE    H  92   VAL   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1443, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  77   PHE    H  92   VAL  QQG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1177,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  77   PHE   QB  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1181,1182,
 igr2=1223,1224,1225,
 &end
#
#  77   PHE   QD  79   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1185,1193,
 igr2=1223,1224,1225,
 &end
#
#  77   PHE    H  71   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1177,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1098,1099,1100,
 &end
#
#  77   PHE  HB2  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1181,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1534,1535,1536,
 &end
#
#  77   PHE  HB3  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1182,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1534,1535,1536,
 &end
#
#  77   PHE   QB  97   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1181,1182,
 igr2=1534,1535,1536,
 &end
#
#  77   PHE  HD1  97   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1185,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1534,1535,1536,
 &end
#
#  77   PHE  HD2  97   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1193,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1534,1535,1536,
 &end
#
#  77   PHE   QD  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1185,1193,
 igr2=1534,1535,1536,
 &end
#
#  77   PHE   QB  92   VAL  QQG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1181,1182,
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  77   PHE    H  91   TRP  HE3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1177,1436, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  77   PHE    H  79   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1177,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1223,1224,1225,
 &end
#
#  77   PHE   QB  92   VAL    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1181,1182,
 &end
#
#  77   PHE   QD  92   VAL    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1185,1193,
 &end
#
#  77   PHE   QE  92   VAL  QG2  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=1187,1191,
 igr2=1451,1452,1453,
 &end
#
#  77   PHE    H  91   TRP   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1177,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1421,1422,
 &end
#
#  77   PHE    H  93   GLY   QA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1177,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1459,1460,
 &end
#
#  77   PHE   QB  97   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1181,1182,
 igr2=1527,1528,1529,
 &end
#
#  77   PHE   QE  97   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1187,1191,
 igr2=1527,1528,1529,
 &end
#
#  77   PHE   QE  94   TYR   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1187,1191,
 igr2=1468,1469,
 &end
#
#  77   PHE   QE  94   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1464, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1187,1191,
 &end
#
#  78   PHE    H  78   PHE   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1199, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  78   PHE    H  78   PHE   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1201,1202,
 &end
#
#  78   PHE    H  78   PHE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1205,1213,
 &end
#
#  78   PHE   HA  78   PHE   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1199,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1205,1213,
 &end
#
#  78   PHE   QD  91   TRP  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1425, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1205,1213,
 &end
#
#  78   PHE   QD  91   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1205,1213,
 &end
#
#  78   PHE   HA  91   TRP   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1419, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  78   PHE   HA  91   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1417, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  78   PHE   HA  92   VAL    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1441, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  78   PHE   QD  79   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1217, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1205,1213,
 &end
#
#  78   PHE   QE  79   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1217, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1207,1211,
 &end
#
#  78   PHE   QB  91   TRP  HE3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1436, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1201,1202,
 &end
#
#  78   PHE   QB  91   TRP  HZ3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1434, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1201,1202,
 &end
#
#  78   PHE   QB  91   TRP  HZ2  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1430, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1201,1202,
 &end
#
#  78   PHE   QE  89   ASP   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1207,1211,
 igr2=1394,1395,
 &end
#
#  78   PHE    H  79   ILE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1197,1217, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  78   PHE   HA  79   ILE    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1199,1217, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  78   PHE   QE  89   ASP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1207,1211,
 &end
#
#  78   PHE   QE  90   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1207,1211,
 &end
#
#  78   PHE   QE  90   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1207,1211,
 &end
#
#  78   PHE    H  79   ILE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=1197,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1230,1231,1232,
 &end
#
#  78   PHE   QD  91   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1417, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1205,1213,
 &end
#
#  78   PHE   QD  92   VAL    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1205,1213,
 &end
#
#  78   PHE   QE  89   ASP   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1207,1211,
 igr2=1394,1395,
 &end
#
#  79   ILE    H  79   ILE   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1219, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  79   ILE    H  80   HIE    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1236, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  79   ILE   HA  80   HIE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1236, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  79   ILE   HB  80   HIE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1236, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  79   ILE  QG1  80   HIE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1236, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1227,1228,
 &end
#
#  79   ILE  QG2  80   HIE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1236, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1223,1224,1225,
 &end
#
#  79   ILE   QD  80   HIE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1236, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1230,1231,1232,
 &end
#
#  79   ILE    H  90   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1402, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  79   ILE    H  90   GLU   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1404, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  79   ILE    H  90   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1406,1407,
 &end
#
#  79   ILE    H  90   GLU   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1409,1410,
 &end
#
#  79   ILE    H  91   TRP   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1421,1422,
 &end
#
#  79   ILE    H  92   VAL    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1217,1441, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  79   ILE    H  92   VAL  QQG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  79   ILE    H  97   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1217,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1534,1535,1536,
 &end
#
#  79   ILE   QD  90   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1230,1231,1232,
 &end
#
#  79   ILE  QG1  90   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1227,1228,
 &end
#
#  79   ILE   QD  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1230,1231,1232,
 igr2=1527,1528,1529,
 &end
#
#  79   ILE  QG2  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1223,1224,1225,
 igr2=1534,1535,1536,
 &end
#
#  79   ILE   QD  92   VAL  QQG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1230,1231,1232,
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  79   ILE   QD  81   TYR   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1230,1231,1232,
 igr2=1261,1270,
 &end
#
#  79   ILE   QD  81   TYR   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1230,1231,1232,
 igr2=1263,1268,
 &end
#
#  79   ILE   QD  90   GLU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1230,1231,1232,
 igr2=1406,1407,
 &end
#
#  79   ILE   QD  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1230,1231,1232,
 igr2=1534,1535,1536,
 &end
#
#  79   ILE  QG1  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1227,1228,
 igr2=1534,1535,1536,
 &end
#
#  79   ILE   HB  90   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1402, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  79   ILE  QG1  91   TRP  HE1 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1=1227,1228,
 &end
#
#  79   ILE  QG1  89   ASP    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=1227,1228,
 &end
#
#  79   ILE   HB  81   TYR    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1221,1253, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  79   ILE   QD  90   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1230,1231,1232,
 igr2=1406,1407,
 &end
#
#  79   ILE   QD  90   GLU   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=1230,1231,1232,
 igr2=1409,1410,
 &end
#
#  79   ILE  QG1  82   GLN   QG 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1=1227,1228,
 igr2=1281,1282,
 &end
#
#  79   ILE   QD  90   GLU   QG  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=1230,1231,1232,
 igr2=1409,1410,
 &end
#
#  79   ILE   QD  92   VAL  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1230,1231,1232,
 igr2=1447,1448,1449,
 &end
#
#  79   ILE   QD  92   VAL  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1230,1231,1232,
 igr2=1451,1452,1453,
 &end
#
#  79   ILE   QD  92   VAL  QQG  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1230,1231,1232,
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  79   ILE  QG1  92   VAL  QQG  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1227,1228,
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  79   ILE  QG1  90   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1227,1228,
 igr2=1406,1407,
 &end
#
#  79   ILE   HA  89   ASP   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1392, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  79   ILE   HA  90   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1402, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  79   ILE   HA  91   TRP   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1219,1419, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  80   HIE    H  80   HIE   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1238, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  80   HIE    H  80   HIE  HB2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1240, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  80   HIE    H  80   HIE  HB3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1241, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  80   HIE    H  80   HIE  HD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1236,1249, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  80   HIE   HA  81   TYR    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1238,1253, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  80   HIE   QB  81   TYR    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1253, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1240,1241,
 &end
#
#  80   HIE   HA  89   ASP   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1238,1392, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  80   HIE   HA  90   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1238,1402, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  80   HIE   HA  89   ASP   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1238,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1394,1395,
 &end
#
#  80   HIE   HA  89   ASP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1238,1390, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  80   HIE  HE1  82   GLN   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1276, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  80   HIE  HE1  83   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1245,1291, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  80   HIE  HD2  86   SER   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1346, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  80   HIE  HD2  81   TYR    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1249,1253, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  80   HIE   HA  80   HIE  HD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1238,1249, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  80   HIE   QB  82   GLN  QE2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1240,1241,
 igr2=1286,1287,
 &end
#
#  81   TYR    H  82   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1253,1274, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  81   TYR    H  81   TYR   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1253,1255, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  81   TYR    H  81   TYR   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1253,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1257,1258,
 &end
#
#  81   TYR    H  81   TYR   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1253,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1261,1270,
 &end
#
#  81   TYR   HA  82   GLN    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1255,1274, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  81   TYR   QD  82   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1261,1270,
 &end
#
#  81   TYR    H  89   ASP   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1253,1392, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  81   TYR    H  88   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1253,1366, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  81   TYR    H  90   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1253,1402, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  81   TYR  HD1  90   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1261,1402, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  81   TYR    H  97   ILE  QG1 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=1253,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2=1531,1532,
 &end
#
#  81   TYR   QD  88   TRP    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=1261,1270,
 &end
#
#  82   GLN   HA  82   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1274, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  82   GLN  HB2  82   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1274, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  82   GLN  HB2  82   GLN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1278,1274, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  82   GLN   QB  82   GLN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1278,1279,
 &end
#
#  82   GLN   QG  82   GLN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1274, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1281,1282,
 &end
#
#  82   GLN    H  83   GLY    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1291, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  82   GLN    H  84   TRP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1298, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  82   GLN   HA  83   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1291, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  82   GLN   QB  83   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1291, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1=1278,1279,
 &end
#
#  82   GLN   QB  83   GLY  HA2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1293, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1278,1279,
 &end
#
#  82   GLN   QB  83   GLY  HA3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1294, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1278,1279,
 &end
#
#  82   GLN   HA  84   TRP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1298, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  82   GLN   QB  84   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1278,1279,
 &end
#
#  82   GLN    H  89   ASP    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1390, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  82   GLN   HA  89   ASP    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1390, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  82   GLN  QE2  84   TRP    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=1286,1287,
 &end
#
#  82   GLN    H  90   GLU    H  9.00
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1402, r1= 1.30,  r2= 1.8, r3= 9.00, r4= 9.50,  &end
#
#  82   GLN    H  83   GLY   QA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1274,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1293,1294,
 &end
#
#  82   GLN    H  84   TRP  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1274,1306, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  82   GLN   HA  84   TRP  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1276,1306, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  83   GLY    H  83   GLY  HA2  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1293, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  83   GLY    H  83   GLY  HA3  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1294, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  83   GLY    H  84   TRP    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1298, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  83   GLY   QA  84   TRP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1298, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1293,1294,
 &end
#
#  83   GLY   QA  84   TRP   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1300, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1293,1294,
 &end
#
#  83   GLY   QA  84   TRP  HE3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1317, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1293,1294,
 &end
#
#  83   GLY    H  84   TRP   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1291,1300, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  84   TRP    H  84   TRP   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1300, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  84   TRP    H  84   TRP  HB2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1302, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  84   TRP    H  84   TRP  HB3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1303, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  84   TRP    H  84   TRP  HD1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1306, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  84   TRP    H  84   TRP  HE3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1317, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  84   TRP   HA  85   LYS    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1322, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  84   TRP   HA  86   SER    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1300,1344, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  84   TRP    H  85   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1322, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  84   TRP    H  87   SER   HA 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1357, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  84   TRP    H  86   SER    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1344, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  84   TRP    H  86   SER   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1298,1346, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  84   TRP  HD1  85   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1306,1322, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  84   TRP   HA  85   LYS   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1300,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1326,1327,
 &end
#
#  84   TRP   QB  84   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1308, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1302,1303,
 &end
#
#  84   TRP   QB  84   TRP  HZ2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1311, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1302,1303,
 &end
#
#  84   TRP   QB  84   TRP  HE3  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1317, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1=1302,1303,
 &end
#
#  84   TRP  HZ3  85   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1315,1322, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  84   TRP  HE3  85   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1322, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  84   TRP  HE3  85   LYS   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1317,1324, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  85   LYS    H  85   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1324, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  85   LYS    H  85   LYS   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1326,1327,
 &end
#
#  85   LYS    H  85   LYS   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1329,1330,
 &end
#
#  85   LYS    H  85   LYS   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1332,1333,
 &end
#
#  85   LYS    H  85   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1335,1336,
 &end
#
#  85   LYS    H  86   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1344, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  85   LYS   HA  86   SER    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1344, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  85   LYS   HA  87   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1355, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  85   LYS   HA  88   TRP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1366, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  85   LYS   QB  86   SER    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,     
 igr1=1326,1327,
 &end
#
#  85   LYS   QD  86   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1332,1333,
 &end
#
#  85   LYS   QE  86   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1344, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1335,1336,
 &end
#
#  85   LYS   QG  88   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1329,1330,
 &end
#
#  85   LYS   QG  88   TRP  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1329,1330,
 &end
#
#  85   LYS   QB  88   TRP  HD1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1326,1327,
 &end
#
#  85   LYS   QB  88   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1376, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1326,1327,
 &end
#
#  85   LYS   QB  87   SER   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1326,1327,
 igr2=1359,1360,
 &end
#
#  85   LYS   QB  87   SER   HG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1362, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1326,1327,
 &end
#
#  85   LYS    H  88   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1366, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  85   LYS    H  88   TRP  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1374, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  85   LYS    H  88   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1376, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  85   LYS    H  88   TRP  HZ2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1379, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  85   LYS   QB  88   TRP   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1368, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1326,1327,
 &end
#
#  85   LYS   QG  87   SER    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1329,1330,
 &end
#
#  85   LYS   QG  88   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1329,1330,
 &end
#
#  85   LYS   QG  88   TRP  HD1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1374, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1329,1330,
 &end
#
#  85   LYS   QD  87   SER    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1332,1333,
 &end
#
#  85   LYS    H  86   SER   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1346, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  85   LYS   HA  86   SER   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1324,1346, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  85   LYS   HA  86   SER   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1324,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1348,1349,
 &end
#
#  85   LYS    H  87   SER    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1355, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  85   LYS    H  88   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1322,1366, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  85   LYS   QB  87   SER    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1326,1327,
 &end
#
#  85   LYS   QB  88   TRP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1326,1327,
 &end
#
#  86   SER    H  86   SER   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1346, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  86   SER    H  86   SER  HB2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1348, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  86   SER    H  86   SER  HB3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1349, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  86   SER    H  87   SER    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1355, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  86   SER   HA  87   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1355, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  86   SER    H  88   TRP    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1344,1366, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  86   SER   QB  87   SER    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1355, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1348,1349,
 &end
#
#  86   SER   HA  88   TRP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1366, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  86   SER   HA  89   ASP   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1392, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  86   SER   HA  89   ASP    H  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1346,1390, r1= 1.30,  r2= 1.8, r3= 5.50, r4= 6.00,  &end
#
#  86   SER   QB  88   TRP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1348,1349,
 &end
#
#  87   SER    H  87   SER   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1357, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  87   SER    H  87   SER   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1355,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1359,1360,
 &end
#
#  87   SER    H  88   TRP    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1366, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  87   SER    H  89   ASP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1390, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  87   SER   HA  88   TRP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1357,1366, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  87   SER   QB  88   TRP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1366, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1359,1360,
 &end
#
#  87   SER   HA  89   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1357,1390, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  87   SER   QB  89   ASP    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1359,1360,
 &end
#
#  87   SER  HB2  88   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1359,1376, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  87   SER  HB3  88   TRP  HE1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1360,1376, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  87   SER   HA  89   ASP   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1357,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1394,1395,
 &end
#
#  87   SER    H  88   TRP  HD1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1355,1374, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  87   SER   HA  88   TRP  HD1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1357,1374, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  88   TRP    H  88   TRP   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1368, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  88   TRP    H  88   TRP  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1370, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  88   TRP    H  88   TRP  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1371, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  88   TRP    H  88   TRP   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1366,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1370,1371,
 &end
#
#  88   TRP   HA  89   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1390, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  88   TRP   QB  89   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1390, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1370,1371,
 &end
#
#  88   TRP    H  88   TRP  HD1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1374, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  88   TRP    H  88   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1376, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  88   TRP    H  89   ASP    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1366,1390, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  88   TRP  HE1  90   GLU   QB  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=1376,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr2=1406,1407,
 &end
#
#  88   TRP    H  90   GLU   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1366,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr2=1406,1407,
 &end
#
#  88   TRP   HA  90   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1368,1402, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  88   TRP   HA  90   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1368,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1406,1407,
 &end
#
#  88   TRP   QB  90   GLU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1370,1371,
 igr2=1406,1407,
 &end
#
#  88   TRP  HE3  90   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1385,1402, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  89   ASP    H  89   ASP   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1392, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  89   ASP    H  89   ASP   QB  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1394,1395,
 &end
#
#  89   ASP    H  90   GLU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1390,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1406,1407,
 &end
#
#  89   ASP   HA  90   GLU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1402, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  89   ASP    H  90   GLU    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1390,1402, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  89   ASP   HA  91   TRP    H  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=1392,1417, r1= 1.30,  r2= 1.8, r3= 6.50, r4= 7.00,  &end
#
#  90   GLU   HA  90   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1402, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  90   GLU   QB  90   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1402, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1406,1407,
 &end
#
#  90   GLU   HA  91   TRP    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1417, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  90   GLU    H  91   TRP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1402,1417, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  90   GLU   HA  91   TRP    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1404,1417, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  90   GLU   QB  91   TRP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1417, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1406,1407,
 &end
#
#  90   GLU  HG2  92   VAL  QQG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1409,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  90   GLU  HG3  92   VAL  QQG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1410,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  90   GLU   QG  92   VAL  QQG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1409,1410,
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  91   TRP    H  91   TRP   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1419, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  91   TRP    H  92   VAL    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1441, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  91   TRP   HA  92   VAL    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1419,1441, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  91   TRP  HB2  92   VAL    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1421,1441, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  91   TRP  HB3  92   VAL    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1422,1441, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  91   TRP   QB  92   VAL    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1441, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1421,1422,
 &end
#
#  91   TRP    H  92   VAL    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1441, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  91   TRP    H  91   TRP  HD1  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1425, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  91   TRP    H  91   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1417,1427, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  91   TRP  HE3  92   VAL    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1436,1441, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  91   TRP  HE1  92   VAL    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1441, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  91   TRP   QB  91   TRP  HE1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1427, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1421,1422,
 &end
#
#  91   TRP  HE1  93   GLY    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=1427,1457, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,  &end
#
#  92   VAL    H  92   VAL   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1443, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  92   VAL    H  92   VAL   HB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1445, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  92   VAL    H  92   VAL  QQG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1441,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1447,1448,1449,1451,1452,1453,
 &end
#
#  92   VAL   HA  93   GLY    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1443,1457, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  92   VAL    H  93   GLY    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1441,1457, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  92   VAL   HB  93   GLY    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1457, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  92   VAL  QG1  97   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1447,1448,1449,
 igr2=1534,1535,1536,
 &end
#
#  92   VAL  QG2  97   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1451,1452,1453,
 igr2=1534,1535,1536,
 &end
#
#  92   VAL  QQG  97   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1447,1448,1449,1451,1452,1453,
 igr2=1534,1535,1536,
 &end
#
#  92   VAL  QG1  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1447,1448,1449,
 igr2=1527,1528,1529,
 &end
#
#  92   VAL  QG2  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1451,1452,1453,
 igr2=1527,1528,1529,
 &end
#
#  92   VAL  QQG  97   ILE  QG1  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1447,1448,1449,1451,1452,1453,
 igr2=1531,1532,
 &end
#
#  92   VAL  QQG  97   ILE   HB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1525, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1447,1448,1449,1451,1452,1453,
 &end
#
#  92   VAL  QQG  97   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1521, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1447,1448,1449,1451,1452,1453,
 &end
#
#  92   VAL   HB  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1445,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1534,1535,1536,
 &end
#
#  92   VAL   HB  96   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1497, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  92   VAL   HB  98   ARG    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1540, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,  &end
#
#  93   GLY    H  93   GLY   QA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1457,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1459,1460,
 &end
#
#  93   GLY    H  94   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1464, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  93   GLY  HA2  94   TYR    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1459,1464, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  93   GLY  HA3  94   TYR    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1460,1464, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  93   GLY   QA  95   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1459,1460,
 &end
#
#  93   GLY    H  95   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1485, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  93   GLY    H  96   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1497, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  94   TYR    H  94   TYR   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1464,1466, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  94   TYR    H  94   TYR   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1468,1469,
 &end
#
#  94   TYR    H  94   TYR   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1472,1481,
 &end
#
#  94   TYR    H  95   ASP    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1464,1485, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  94   TYR    H  95   ASP   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1464,1487, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  94   TYR   HA  95   ASP    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1485, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  94   TYR   QB  95   ASP    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1468,1469,
 &end
#
#  94   TYR   QD  95   ASP    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1485, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1472,1481,
 &end
#
#  94   TYR   HA  97   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1521, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  94   TYR   HA  96   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1466,1497, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  94   TYR   QB  97   ILE    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1521, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1468,1469,
 &end
#
#  94   TYR    H  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1464,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1527,1528,1529,
 &end
#
#  94   TYR   HA  97   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1527,1528,1529,
 &end
#
#  94   TYR   HA  97   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1466,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1534,1535,1536,
 &end
#
#  94   TYR   QB  97   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1468,1469,
 igr2=1527,1528,1529,
 &end
#
#  94   TYR  HE1  97   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1474,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1527,1528,1529,
 &end
#
#  94   TYR  HE2  97   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1479,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1527,1528,1529,
 &end
#
#  95   ASP    H  95   ASP   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1487, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
#  95   ASP    H  96   ARG    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1497, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  95   ASP   HA  96   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1497, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  95   ASP    H  97   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1521, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  95   ASP   HA  97   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1487,1521, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  95   ASP    H  96   ARG   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1499, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  95   ASP    H  98   ARG   HA  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=1485,1542, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
#  95   ASP    H  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1485,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1527,1528,1529,
 &end
#
#  96   ARG    H  96   ARG   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1499, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  96   ARG    H  96   ARG  HB2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1501, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  96   ARG    H  96   ARG  HB3  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1502, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  96   ARG   HA  97   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1499,1521, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  96   ARG    H  97   ILE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1521, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  96   ARG    H  97   ILE   HA  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1523, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  96   ARG    H  97   ILE   HB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1497,1525, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  96   ARG    H  97   ILE  QG2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1497,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1527,1528,1529,
 &end
#
#  97   ILE    H  97   ILE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1523, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  97   ILE    H  97   ILE   HB  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1525, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  97   ILE    H  97   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1521,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1531,1532,
 &end
#
#  97   ILE    H  97   ILE  QG2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1521,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1527,1528,1529,
 &end
#
#  97   ILE   HA  97   ILE  QG1  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1523,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1531,1532,
 &end
#
#  97   ILE   HA  97   ILE  QG2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1523,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1527,1528,1529,
 &end
#
#  97   ILE    H  97   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1521,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1534,1535,1536,
 &end
#
#  97   ILE    H  97   ILE   HA  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1523, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  97   ILE    H  98   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1521,1540, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  97   ILE   HA  98   ARG    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1523,1540, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  97   ILE  QG1  98   ARG    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1531,1532,
 &end
#
#  97   ILE  QG2  98   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1527,1528,1529,
 &end
#
#  97   ILE   QD  98   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1540, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1534,1535,1536,
 &end
#
#  97   ILE   HB  97   ILE   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1525,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1534,1535,1536,
 &end
#
#  97   ILE  QG2  97   ILE   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1=1527,1528,1529,
 igr2=1534,1535,1536,
 &end
#
#  97   ILE  QG1  99   ALA   QB  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1531,1532,
 igr2=1568,1569,1570,
 &end
#
#  98   ARG    H  98   ARG   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1542, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  98   ARG    H  98   ARG  HD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1550, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  98   ARG    H  98   ARG  HD3  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1551, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
#  98   ARG    H  98   ARG   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1540,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1550,1551,
 &end
#
#  98   ARG   HA  98   ARG   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1542,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1550,1551,
 &end
#
#  98   ARG    H  99   ALA    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1540,1564, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
#  98   ARG   HA  99   ALA    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1542,1564, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  98   ARG   QB  99   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1564, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1544,1545,
 &end
#
#  98   ARG   HA  99   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1542,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1568,1569,1570,
 &end
#
#  98   ARG   QB  99   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1544,1545,
 igr2=1568,1569,1570,
 &end
#
#  98   ARG    H 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1540,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1693,1694,1695,
 &end
#
#  98   ARG   QD 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1550,1551,
 igr2=1693,1694,1695,
 &end
#
#  98   ARG  HB2 104   ASN HD21  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1544,1648, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  98   ARG  HB3 104   ASN HD22  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1545,1649, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  98   ARG   QB 104   ASN  QD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1544,1545,
 igr2=1648,1649,
 &end
#
#  98   ARG   QD 104   ASN HD22  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1649, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1550,1551,
 &end
#
#  98   ARG   HA 104   ASN  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1542,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1648,1649,
 &end
#
#  98   ARG   QD 101   ASN    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1595, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1550,1551,
 &end
#
#  98   ARG   QD 104   ASN    H  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1550,1551,
 &end
#
#  99   ALA    H  99   ALA   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1564,1566, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
#  99   ALA    H 100   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1564,1574, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
#  99   ALA   HA 100   TYR    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1566,1574, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
#  99   ALA   QB 100   TYR    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1574, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1568,1569,1570,
 &end
#
#  99   ALA   QB 101   ASN   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1568,1569,1570,
 igr2=1599,1600,
 &end
#
#  99   ALA   QB 101   ASN    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1595, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1568,1569,1570,
 &end
#
#  99   ALA   QB 101   ASN HD21  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1604, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1568,1569,1570,
 &end
#
#  99   ALA   QB 101   ASN HD22  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1605, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1568,1569,1570,
 &end
#
#  99   ALA    H 104   ASN  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1564,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1648,1649,
 &end
#
#  99   ALA   QB 104   ASN  QD2  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1568,1569,1570,
 igr2=1648,1649,
 &end
#
# 100   TYR    H 100   TYR   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1576, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 100   TYR   HA 101   ASN    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1595, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
# 100   TYR  HB2 101   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1578,1595, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 100   TYR  HB3 101   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1595, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 100   TYR   QB 101   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1595, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1578,1579,
 &end
#
# 100   TYR   QD 101   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1595, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1582,1591,
 &end
#
# 100   TYR    H 101   ASN    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1574,1595, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
# 100   TYR   HA 105   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1576,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1666,1667,1668,
 &end
#
# 100   TYR   QB 105   ILE   QD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1578,1579,
 igr2=1666,1667,1668,
 &end
#
# 100   TYR  HD1 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1582,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1666,1667,1668,
 &end
#
# 100   TYR  HD2 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1591,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1666,1667,1668,
 &end
#
# 100   TYR  HE1 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1584,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1666,1667,1668,
 &end
#
# 100   TYR  HE2 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1589,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1666,1667,1668,
 &end
#
# 100   TYR   HA 101   ASN  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1576,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1604,1605,
 &end
#
# 100   TYR   HA 101   ASN   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1576,1597, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 101   ASN    H 101   ASN   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1599,1600,
 &end
#
# 101   ASN    H 101   ASN  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1604,1605,
 &end
#
# 101   ASN    H 102   GLU    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1609, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
# 101   ASN   HA 102   GLU    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1609, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
# 101   ASN   QB 102   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1609, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1599,1600,
 &end
#
# 101   ASN   HA 103   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1624, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 101   ASN    H 104   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1639, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 101   ASN   HA 104   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1597,1639, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 101   ASN    H 105   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1653, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 101   ASN    H 105   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1663,1664,
 &end
#
# 101   ASN    H 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1666,1667,1668,
 &end
#
# 101   ASN  QD2 103   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1624, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1604,1605,
 &end
#
# 101   ASN  QD2 105   ILE   QD  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,     
 igr1=1604,1605,
 igr2=1666,1667,1668,
 &end
#
# 101   ASN   HA 106   ALA   QB 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=1597,  -1, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr2=1676,1677,1678,
 &end
#
# 101   ASN   QB 104   ASN  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1599,1600,
 igr2=1648,1649,
 &end
#
# 101   ASN  QD2 103   GLU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1604,1605,
 igr2=1628,1629,
 &end
#
# 101   ASN  QD2 103   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1604,1605,
 igr2=1631,1632,
 &end
#
# 101   ASN    H 104   ASN   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1643,1644,
 &end
#
# 101   ASN    H 104   ASN HD21  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1648, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
# 101   ASN    H 104   ASN HD22  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1595,1649, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
# 102   GLU    H 102   GLU   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1609,1611, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 102   GLU    H 102   GLU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1609,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1613,1614,
 &end
#
# 102   GLU    H 102   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1609,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1616,1617,
 &end
#
# 102   GLU    H 103   GLU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1609,1624, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 102   GLU    H 104   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1609,1639, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 102   GLU   HA 103   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1624, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 102   GLU  HB2 103   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1613,1624, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 102   GLU  HB3 103   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1614,1624, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 102   GLU   HA 106   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1672, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 102   GLU   HA 105   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1653, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 102   GLU   HA 105   ILE   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1611,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1666,1667,1668,
 &end
#
# 102   GLU   HA 105   ILE  QG2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1611,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1659,1660,1661,
 &end
#
# 102   GLU   HA 105   ILE   HB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1657, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
# 102   GLU   HA 109   LYS    H  8.00
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1721, r1= 1.30,  r2= 1.8, r3= 8.00, r4= 8.50,  &end
#
# 102   GLU   QB 103   GLU   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1613,1614,
 igr2=1628,1629,
 &end
#
# 103   GLU   HA 103   GLU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1624, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 103   GLU   HA 103   GLU   QG  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1626,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1631,1632,
 &end
#
# 103   GLU   QB 103   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1624, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1628,1629,
 &end
#
# 103   GLU   QG 103   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1624, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1631,1632,
 &end
#
# 103   GLU    H 104   ASN    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1639, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 103   GLU   HA 104   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1639, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 103   GLU   QB 104   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1628,1629,
 &end
#
# 103   GLU   QG 104   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1639, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1631,1632,
 &end
#
# 103   GLU   HA 106   ALA   QB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1626,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr2=1676,1677,1678,
 &end
#
# 103   GLU    H 105   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1624,1653, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 103   GLU   HA 105   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1653, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 103   GLU   HA 106   ALA    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1672, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
# 103   GLU   HA 107   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1626,1682, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 103   GLU   QG 106   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1631,1632,
 igr2=1676,1677,1678,
 &end
#
# 104   ASN   HA 104   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1639, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 104   ASN   HA 105   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1653, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 104   ASN   QB 105   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1643,1644,
 &end
#
# 104   ASN   HA 106   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1672, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 104   ASN   HA 107   MET    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1682, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 104   ASN    H 105   ILE    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1653, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 104   ASN    H 106   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1672, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 104   ASN   HA 107   MET   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1693,1694,1695,
 &end
#
# 104   ASN   HA 107   MET  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1686, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 104   ASN   HA 107   MET  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1687, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 104   ASN   HA 107   MET   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1686,1687,
 &end
#
# 104   ASN   HA 108   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1641,1699, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 104   ASN   QB 104   ASN  QD2  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1=1643,1644,
 igr2=1648,1649,
 &end
#
# 104   ASN    H 105   ILE   HB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1639,1657, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 104   ASN    H 105   ILE  QG1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1639,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1663,1664,
 &end
#
# 105   ILE   HA 105   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1653, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 105   ILE   HB 105   ILE    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1653, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
# 105   ILE   HB 105   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1657,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1666,1667,1668,
 &end
#
# 105   ILE  QG2 105   ILE   HA  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1655, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1=1659,1660,1661,
 &end
#
# 105   ILE  QG1 105   ILE   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1655, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1663,1664,
 &end
#
# 105   ILE  QG1 105   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1663,1664,
 &end
#
# 105   ILE  QG2 105   ILE    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1659,1660,1661,
 &end
#
# 105   ILE   QD 105   ILE    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1653, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1666,1667,1668,
 &end
#
# 105   ILE   HA 105   ILE   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1655,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1666,1667,1668,
 &end
#
# 105   ILE   HA 106   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1672, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 105   ILE   HB 106   ALA    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1672, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
# 105   ILE    H 106   ALA    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1672, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 105   ILE    H 107   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1682, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 105   ILE    H 107   MET   HA  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=1653,1684, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,  &end
#
# 105   ILE   HA 107   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1682, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 105   ILE   HA 108   LYS    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1699, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
# 105   ILE   QD 107   MET   QE  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1666,1667,1668,
 igr2=1693,1694,1695,
 &end
#
# 105   ILE   QD 108   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1666,1667,1668,
 igr2=1712,1713,
 &end
#
# 105   ILE  QG2 109   LYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1659,1660,1661,
 igr2=1725,1726,
 &end
#
# 105   ILE  QG2 109   LYS   QE  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1659,1660,1661,
 igr2=1734,1735,
 &end
#
# 105   ILE   HA 109   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1721, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 105   ILE  QG2 109   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1721, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1659,1660,1661,
 &end
#
# 105   ILE   HA 108   LYS   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1655,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1703,1704,
 &end
#
# 105   ILE    H 107   MET   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1653,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1686,1687,
 &end
#
# 105   ILE  QG1 109   LYS    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1721, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1663,1664,
 &end
#
# 105   ILE  QG2 107   MET    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1659,1660,1661,
 &end
#
# 105   ILE  QG2 106   ALA   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1674, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1659,1660,1661,
 &end
#
# 105   ILE  QG1 109   LYS   QD  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1663,1664,
 igr2=1731,1732,
 &end
#
# 105   ILE   HB 106   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1657,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1676,1677,1678,
 &end
#
# 106   ALA    H 106   ALA   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1674, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 106   ALA    H 106   ALA   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1676,1677,1678,
 &end
#
# 106   ALA    H 107   MET    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1682, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 106   ALA    H 108   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1672,1699, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 106   ALA   HA 107   MET    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1682, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 106   ALA   QB 107   MET    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1676,1677,1678,
 &end
#
# 106   ALA   HA 108   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1699, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 106   ALA   HA 109   LYS   QB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1674,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr2=1725,1726,
 &end
#
# 106   ALA   HA 109   LYS   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1728,1729,
 &end
#
# 106   ALA   HA 109   LYS   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1731,1732,
 &end
#
# 106   ALA   HA 109   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1721, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 106   ALA   HA 110   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1674,1743, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 106   ALA    H 107   MET   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1686,1687,
 &end
#
# 106   ALA    H 107   MET   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1672,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1689,1690,
 &end
#
# 107   MET   HA 107   MET    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1682, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 107   MET   QB 107   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1686,1687,
 &end
#
# 107   MET   QG 107   MET    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1682, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1689,1690,
 &end
#
# 107   MET   HA 107   MET   QG  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1689,1690,
 &end
#
# 107   MET    H 108   LYS    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1699, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 107   MET   HA 108   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1699, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 107   MET   QB 108   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1699, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1686,1687,
 &end
#
# 107   MET   QE 108   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1699, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1693,1694,1695,
 &end
#
# 107   MET   QE 108   LYS   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1693,1694,1695,
 &end
#
# 107   MET   QG 111   LEU  QD1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1689,1690,
 igr2=1776,1777,1778,
 &end
#
# 107   MET    H 109   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1682,1721, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 107   MET   HA 109   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1721, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 107   MET   HA 110   ARG    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1743, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 107   MET   HA 110   ARG   QB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1684,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr2=1747,1748,
 &end
#
# 107   MET   HA 110   ARG   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1750,1751,
 &end
#
# 107   MET   HA 111   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,1767, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 107   MET   QG 111   LEU   HG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1774, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1689,1690,
 &end
#
# 107   MET   QG 108   LYS   HA  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1701, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1689,1690,
 &end
#
# 107   MET   HA 111   LEU  QD1  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1684,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1776,1777,1778,
 &end
#
# 108   LYS    H 108   LYS   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1699,1701, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 108   LYS    H 109   LYS    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1699,1721, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 108   LYS   HA 109   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1721, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 108   LYS   QB 109   LYS    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1721, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr1=1703,1704,
 &end
#
# 108   LYS    H 110   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1699,1743, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 108   LYS   HA 110   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1743, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 108   LYS   HA 111   LEU   QB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr2=1771,1772,
 &end
#
# 108   LYS   HA 111   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1701,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
# 108   LYS   HA 111   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1767, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 108   LYS   HA 112   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1701,1786, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 109   LYS   HA 109   LYS    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1721, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 109   LYS   QB 109   LYS    H  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1721, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1=1725,1726,
 &end
#
# 109   LYS   QB 109   LYS   QE  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1725,1726,
 igr2=1734,1735,
 &end
#
# 109   LYS   QG 109   LYS   QE  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1=1728,1729,
 igr2=1734,1735,
 &end
#
# 109   LYS  HG2 109   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1728,1721, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 109   LYS  HG3 109   LYS    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1729,1721, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 109   LYS   QD 109   LYS    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1721, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1731,1732,
 &end
#
# 109   LYS   HA 110   ARG    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1743, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 109   LYS   QB 110   ARG    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1743, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1725,1726,
 &end
#
# 109   LYS   QE 110   ARG    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1743, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1734,1735,
 &end
#
# 109   LYS    H 110   ARG    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1743, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 109   LYS   HA 111   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1767, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 109   LYS    H 111   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1721,1767, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 109   LYS   HA 112   ALA    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1723,1786, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
# 109   LYS   HA 112   ALA   QB  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1723,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1790,1791,1792,
 &end
#
# 109   LYS   QG 110   ARG   QD  7.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 7.00, r4= 7.50,     
 igr1=1728,1729,
 igr2=1753,1754,
 &end
#
# 109   LYS   QG 114   LEU    H 10.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1810, r1= 1.30,  r2= 1.8,r3= 10.00, r4=10.50,     
 igr1=1728,1729,
 &end
#
# 110   ARG    H 110   ARG   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1743,1745, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 110   ARG    H 110   ARG   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1743,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1747,1748,
 &end
#
# 110   ARG    H 110   ARG   QD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1743,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1753,1754,
 &end
#
# 110   ARG   QB 110   ARG   QD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr1=1747,1748,
 igr2=1753,1754,
 &end
#
# 110   ARG   HA 110   ARG   QD  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1753,1754,
 &end
#
# 110   ARG    H 111   LEU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1743,1767, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 110   ARG   HA 111   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,1767, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 110   ARG   QB 111   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1747,1748,
 &end
#
# 110   ARG   QD 111   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1767, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1753,1754,
 &end
#
# 110   ARG    H 112   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1743,1786, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 110   ARG   HA 112   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,1786, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 110   ARG   HA 113   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,1796, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 110   ARG   HA 113   ASN  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,1800, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 110   ARG   HA 113   ASN  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,1801, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 110   ARG   HA 113   ASN   QB  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1745,  -1, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,     
 igr2=1800,1801,
 &end
#
# 110   ARG   HA 113   ASN HD21  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,1805, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 110   ARG   HA 113   ASN HD22  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,1806, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 110   ARG   HA 113   ASN  QD2  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1745,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1805,1806,
 &end
#
# 110   ARG    H 113   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1743,1796, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 110   ARG   QD 111   LEU  QQD  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr1=1753,1754,
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
# 111   LEU    H 111   LEU   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1769, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 111   LEU    H 111   LEU   HG  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1774, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,  &end
#
# 111   LEU    H 111   LEU  QQD  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1767,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1776,1777,1778,1780,1781,1782,
 &end
#
# 111   LEU    H 112   ALA    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1786, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 111   LEU   HA 112   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 111   LEU   HA 111   LEU  QD2  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30,  r2= 1.8, r3= 3.00, r4= 3.50,     
 igr2=1780,1781,1782,
 &end
#
# 111   LEU   QB 112   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1771,1772,
 &end
#
# 111   LEU    H 113   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1767,1796, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 111   LEU  QQD 112   ALA    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1786, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1776,1777,1778,1780,1781,1782,
 &end
#
# 111   LEU   HA 114   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1810, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 111   LEU   HA 114   LEU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1769,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1814,1815,
 &end
#
# 111   LEU   HA 114   LEU   HG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1817, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
# 111   LEU   HA 113   ASN    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1796, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 111   LEU   HA 112   ALA    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1769,1786, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 112   ALA    H 112   ALA   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1788, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 112   ALA   HA 113   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1796, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 112   ALA   QB 113   ASN    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1796, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1790,1791,1792,
 &end
#
# 112   ALA    H 113   ASN    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1796, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 112   ALA    H 114   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1786,1810, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 112   ALA   HA 114   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1810, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 112   ALA   HA 115   GLU    H  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1788,1829, r1= 1.30,  r2= 1.8, r3= 4.50, r4= 5.00,  &end
#
# 112   ALA   HA 115   GLU   QB  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1833,1834,
 &end
#
# 112   ALA   HA 115   GLU   QG  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1788,  -1, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,     
 igr2=1836,1837,
 &end
#
# 113   ASN    H 113   ASN   HA  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1796,1798, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 113   ASN    H 113   ASN  HB2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1796,1800, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 113   ASN    H 113   ASN  HB3  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1796,1801, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 113   ASN    H 113   ASN  QD2  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1796,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1805,1806,
 &end
#
# 113   ASN    H 114   LEU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1796,1810, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 113   ASN   HA 114   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1798,1810, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 113   ASN  HB2 114   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1800,1810, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 113   ASN  HB3 114   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1801,1810, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,  &end
#
# 113   ASN   QB 114   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1810, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1800,1801,
 &end
#
# 113   ASN  QD2 114   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1810, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1805,1806,
 &end
#
# 113   ASN   HA 115   GLU    H  6.00
 &rst
  ixpk= 0, nxpk= 0, iat=1798,1829, r1= 1.30,  r2= 1.8, r3= 6.00, r4= 6.50,  &end
#
# 114   LEU   HA 114   LEU    H  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=1812,1810, r1= 1.30,  r2= 1.8, r3= 3.50, r4= 4.00,  &end
#
# 114   LEU   QB 114   LEU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1810, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr1=1814,1815,
 &end
#
# 114   LEU  QQD 114   LEU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1810, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1819,1820,1821,1823,1824,1825,
 &end
#
# 114   LEU    H 115   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1810,1829, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 114   LEU   HA 115   GLU    H  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1812,1829, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 114   LEU  QQD 115   GLU    H  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1829, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr1=1819,1820,1821,1823,1824,1825,
 &end
#
# 115   GLU    H 115   GLU   HA  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1829,1831, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,  &end
#
# 115   GLU    H 115   GLU   QB  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=1829,  -1, r1= 1.30,  r2= 1.8, r3= 4.00, r4= 4.50,     
 igr2=1833,1834,
 &end
#
# 115   GLU    H 115   GLU   QG  5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1829,  -1, r1= 1.30,  r2= 1.8, r3= 5.00, r4= 5.50,     
 igr2=1836,1837,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  -2.715  -3.076   4.722
    2    H2   MET   1           H2       MET   1  -3.938  -2.547   5.683
    3    H3   MET   1           H3       MET   1  -3.810  -2.017   4.132
    4    HA   MET   1           HA       MET   1  -3.072  -0.309   5.608
    5    HB2  MET   1           HB2      MET   1  -2.400  -1.889   7.440
    6    HB3  MET   1           HB3      MET   1  -0.973  -2.340   6.508
    7    HG2  MET   1           HG2      MET   1  -0.482  -0.676   8.266
    8    HG3  MET   1           HG3      MET   1  -0.086  -0.088   6.662
    9    HE1  MET   1           HE1      MET   1  -2.316   0.284   9.823
   10    HE2  MET   1           HE2      MET   1  -3.569   1.442   9.325
   11    HE3  MET   1           HE3      MET   1  -3.579  -0.209   8.671
   12    H    VAL   2           H        VAL   2  -1.477   1.180   4.852
   13    HA   VAL   2           HA       VAL   2   0.434   0.256   2.798
   14    HB   VAL   2           HB       VAL   2  -0.163   2.120   1.322
   15   HG11  VAL   2          HG11      VAL   2  -2.133   1.176   0.291
   16   HG12  VAL   2          HG12      VAL   2  -1.118  -0.137   0.903
   17   HG13  VAL   2          HG13      VAL   2  -2.585   0.334   1.783
   18   HG21  VAL   2          HG21      VAL   2  -1.255   3.636   2.938
   19   HG22  VAL   2          HG22      VAL   2  -2.259   3.343   1.516
   20   HG23  VAL   2          HG23      VAL   2  -2.642   2.530   3.053
   21    H    ASP   3           H        ASP   3   1.876   2.309   2.244
   22    HA   ASP   3           HA       ASP   3   2.446   3.905   4.679
   23    HB2  ASP   3           HB2      ASP   3   3.790   1.867   4.918
   24    HB3  ASP   3           HB3      ASP   3   4.372   2.028   3.260
   25    H    LEU   4           H        LEU   4   3.688   5.722   4.197
   26    HA   LEU   4           HA       LEU   4   4.213   7.606   3.225
   27    HB2  LEU   4           HB2      LEU   4   5.895   6.326   1.993
   28    HB3  LEU   4           HB3      LEU   4   4.715   5.961   0.726
   29    HG   LEU   4           HG       LEU   4   4.554   8.351   0.133
   30   HD11  LEU   4          HD11      LEU   4   6.240   9.965   1.033
   31   HD12  LEU   4          HD12      LEU   4   5.093   9.447   2.272
   32   HD13  LEU   4          HD13      LEU   4   6.726   8.758   2.246
   33   HD21  LEU   4          HD21      LEU   4   6.185   6.890  -1.000
   34   HD22  LEU   4          HD22      LEU   4   6.786   8.549  -0.891
   35   HD23  LEU   4          HD23      LEU   4   7.423   7.301   0.206
   36    H    GLU   5           H        GLU   5   2.094   5.754   1.010
   37    HA   GLU   5           HA       GLU   5   1.020   8.054  -0.288
   38    HB2  GLU   5           HB2      GLU   5  -0.176   5.267   0.079
   39    HB3  GLU   5           HB3      GLU   5  -0.754   6.468  -1.074
   40    HG2  GLU   5           HG2      GLU   5   1.993   5.137  -1.092
   41    HG3  GLU   5           HG3      GLU   5   0.655   4.767  -2.156
   42    H    GLN   6           H        GLN   6   0.148   6.503   2.761
   43    HA   GLN   6           HA       GLN   6  -2.466   7.687   2.970
   44    HB2  GLN   6           HB2      GLN   6  -2.207   5.551   3.837
   45    HB3  GLN   6           HB3      GLN   6  -0.632   5.891   4.570
   46    HG2  GLN   6           HG2      GLN   6  -1.602   7.111   6.343
   47    HG3  GLN   6           HG3      GLN   6  -3.204   7.104   5.578
   48   HE21  GLN   6          HE21      GLN   6  -0.685   4.622   6.551
   49   HE22  GLN   6          HE22      GLN   6  -1.851   3.519   7.233
   50    H    GLU   7           H        GLU   7   0.762   8.836   3.630
   51    HA   GLU   7           HA       GLU   7   0.006  10.772   5.704
   52    HB2  GLU   7           HB2      GLU   7   2.386  10.618   3.769
   53    HB3  GLU   7           HB3      GLU   7   2.178  11.818   5.032
   54    HG2  GLU   7           HG2      GLU   7   2.129  10.033   6.772
   55    HG3  GLU   7           HG3      GLU   7   2.468   8.826   5.524
   56    H    PHE   8           H        PHE   8  -0.334  13.000   5.208
   57    HA   PHE   8           HA       PHE   8  -1.515  13.712   2.682
   58    HB2  PHE   8           HB2      PHE   8  -1.216  15.977   3.263
   59    HB3  PHE   8           HB3      PHE   8  -1.762  15.167   4.720
   60    HD1  PHE   8           HD1      PHE   8   0.032  14.616   6.540
   61    HD2  PHE   8           HD2      PHE   8   0.935  16.987   3.053
   62    HE1  PHE   8           HE1      PHE   8   2.034  15.547   7.688
   63    HE2  PHE   8           HE2      PHE   8   2.939  17.914   4.205
   64    HZ   PHE   8           HZ       PHE   8   3.483  17.196   6.526
   65    H    ALA   9           H        ALA   9  -0.578  14.454   0.865
   66    HA   ALA   9           HA       ALA   9   2.433  14.472   0.758
   67    HB1  ALA   9           HB1      ALA   9   1.989  13.319  -1.425
   68    HB2  ALA   9           HB2      ALA   9   1.462  12.405   0.034
   69    HB3  ALA   9           HB3      ALA   9   0.258  13.290  -0.961
   70    H    LEU  10           H        LEU  10   3.354  16.029  -0.636
   71    HA   LEU  10           HA       LEU  10   1.656  18.277  -1.092
   72    HB2  LEU  10           HB2      LEU  10   4.467  17.937  -0.988
   73    HB3  LEU  10           HB3      LEU  10   4.089  18.470  -2.641
   74    HG   LEU  10           HG       LEU  10   3.239  19.879  -0.085
   75   HD11  LEU  10          HD11      LEU  10   5.274  20.571  -2.247
   76   HD12  LEU  10          HD12      LEU  10   4.776  21.658  -0.932
   77   HD13  LEU  10          HD13      LEU  10   5.604  20.132  -0.559
   78   HD21  LEU  10          HD21      LEU  10   2.599  20.410  -3.010
   79   HD22  LEU  10          HD22      LEU  10   1.466  20.267  -1.664
   80   HD23  LEU  10          HD23      LEU  10   2.508  21.685  -1.770
   81    H    GLY  11           H        GLY  11   0.135  17.784  -2.349
   82    HA2  GLY  11           HA2      GLY  11  -0.923  17.926  -4.443
   83    HA3  GLY  11           HA3      GLY  11   0.578  17.462  -5.277
   84    H    GLY  12           H        GLY  12  -0.682  15.763  -2.363
   85    HA2  GLY  12           HA2      GLY  12  -1.174  13.331  -3.970
   86    HA3  GLY  12           HA3      GLY  12  -1.390  13.552  -2.214
   87    H    ARG  13           H        ARG  13  -3.431  12.446  -3.283
   88    HA   ARG  13           HA       ARG  13  -5.478  14.550  -3.821
   89    HB2  ARG  13           HB2      ARG  13  -5.295  11.637  -4.532
   90    HB3  ARG  13           HB3      ARG  13  -6.791  12.210  -3.780
   91    HG2  ARG  13           HG2      ARG  13  -7.127  13.865  -5.509
   92    HG3  ARG  13           HG3      ARG  13  -5.638  13.334  -6.339
   93    HD2  ARG  13           HD2      ARG  13  -6.522  11.102  -6.669
   94    HD3  ARG  13           HD3      ARG  13  -7.800  11.381  -5.502
   95    HE   ARG  13           HE       ARG  13  -9.153  12.315  -7.041
   96   HH11  ARG  13          HH11      ARG  13  -5.946  11.934  -8.552
   97   HH12  ARG  13          HH12      ARG  13  -6.472  12.478 -10.105
   98   HH21  ARG  13          HH21      ARG  13  -9.759  13.282  -8.992
   99   HH22  ARG  13          HH22      ARG  13  -8.743  13.162 -10.397
  100    H    CYS  14           H        CYS  14  -7.211  14.242  -2.277
  101    HA   CYS  14           HA       CYS  14  -6.682  12.668   0.146
  102    HB2  CYS  14           HB2      CYS  14  -7.342  14.991   1.299
  103    HB3  CYS  14           HB3      CYS  14  -5.670  14.548   0.985
  104    HG   CYS  14           HG       CYS  14  -6.145  17.084   0.525
  105    H    LEU  15           H        LEU  15  -8.595  13.344   1.690
  106    HA   LEU  15           HA       LEU  15 -11.193  13.475   0.256
  107    HB2  LEU  15           HB2      LEU  15 -10.398  11.440   2.414
  108    HB3  LEU  15           HB3      LEU  15 -11.996  11.732   1.796
  109    HG   LEU  15           HG       LEU  15 -11.395   9.790   0.880
  110   HD11  LEU  15          HD11      LEU  15 -12.144  11.573  -0.862
  111   HD12  LEU  15          HD12      LEU  15 -10.518  11.432  -1.499
  112   HD13  LEU  15          HD13      LEU  15 -11.550  10.002  -1.439
  113   HD21  LEU  15          HD21      LEU  15  -9.314   9.096  -0.002
  114   HD22  LEU  15          HD22      LEU  15  -8.689  10.754  -0.081
  115   HD23  LEU  15          HD23      LEU  15  -8.964   9.973   1.481
  116    H    ALA  16           H        ALA  16 -12.504  14.818   1.481
  117    HA   ALA  16           HA       ALA  16 -11.670  15.313   4.280
  118    HB1  ALA  16           HB1      ALA  16 -12.162  17.789   3.937
  119    HB2  ALA  16           HB2      ALA  16 -10.666  17.206   3.224
  120    HB3  ALA  16           HB3      ALA  16 -12.086  17.473   2.183
  121    H    PHE  17           H        PHE  17 -13.140  15.139   5.630
  122    HA   PHE  17           HA       PHE  17 -15.728  14.166   4.722
  123    HB2  PHE  17           HB2      PHE  17 -13.896  13.598   6.836
  124    HB3  PHE  17           HB3      PHE  17 -15.349  14.200   7.611
  125    HD1  PHE  17           HD1      PHE  17 -17.622  13.040   6.273
  126    HD2  PHE  17           HD2      PHE  17 -13.685  11.338   6.816
  127    HE1  PHE  17           HE1      PHE  17 -18.571  10.790   6.181
  128    HE2  PHE  17           HE2      PHE  17 -14.680   9.067   6.718
  129    HZ   PHE  17           HZ       PHE  17 -17.105   8.786   6.454
  130    H    HIS  18           H        HIS  18 -17.700  15.116   5.157
  131    HA   HIS  18           HA       HIS  18 -17.703  17.826   6.448
  132    HB2  HIS  18           HB2      HIS  18 -19.401  16.652   4.208
  133    HB3  HIS  18           HB3      HIS  18 -19.908  18.042   5.147
  134    HD2  HIS  18           HD2      HIS  18 -16.877  17.030   2.889
  135    HE1  HIS  18           HE1      HIS  18 -17.365  21.262   2.642
  136    HE2  HIS  18           HE2      HIS  18 -16.050  19.268   1.779
  137    H    GLY  19           H        GLY  19 -19.541  14.754   6.045
  138    HA2  GLY  19           HA2      GLY  19 -20.027  13.970   8.515
  139    HA3  GLY  19           HA3      GLY  19 -21.151  15.339   8.476
  140    HA   PRO  20           HA       PRO  20 -24.175  13.004   6.107
  141    HB2  PRO  20           HB2      PRO  20 -23.832  14.919   3.803
  142    HB3  PRO  20           HB3      PRO  20 -25.338  14.343   4.573
  143    HG2  PRO  20           HG2      PRO  20 -24.383  16.825   5.131
  144    HG3  PRO  20           HG3      PRO  20 -25.032  15.795   6.452
  145    HD2  PRO  20           HD2      PRO  20 -22.143  16.258   5.683
  146    HD3  PRO  20           HD3      PRO  20 -22.884  16.223   7.313
  147    H    LEU  21           H        LEU  21 -21.425  14.242   4.146
  148    HA   LEU  21           HA       LEU  21 -20.664  11.552   3.463
  149    HB2  LEU  21           HB2      LEU  21 -22.130  13.079   1.563
  150    HB3  LEU  21           HB3      LEU  21 -20.476  13.347   1.088
  151    HG   LEU  21           HG       LEU  21 -20.732  10.568   1.697
  152   HD11  LEU  21          HD11      LEU  21 -22.974  11.478  -0.078
  153   HD12  LEU  21          HD12      LEU  21 -22.526   9.788   0.290
  154   HD13  LEU  21          HD13      LEU  21 -23.109  10.838   1.583
  155   HD21  LEU  21          HD21      LEU  21 -20.342  12.018  -0.930
  156   HD22  LEU  21          HD22      LEU  21 -19.126  11.128   0.025
  157   HD23  LEU  21          HD23      LEU  21 -20.371  10.239  -0.818
  158    H    MET  22           H        MET  22 -18.605  12.010   1.797
  159    HA   MET  22           HA       MET  22 -16.895  14.124   2.981
  160    HB2  MET  22           HB2      MET  22 -16.009  12.035   3.809
  161    HB3  MET  22           HB3      MET  22 -16.356  11.211   2.294
  162    HG2  MET  22           HG2      MET  22 -14.289  13.396   2.449
  163    HG3  MET  22           HG3      MET  22 -13.958  11.719   2.768
  164    HE1  MET  22           HE1      MET  22 -15.516  10.014   0.574
  165    HE2  MET  22           HE2      MET  22 -13.954   9.844  -0.290
  166    HE3  MET  22           HE3      MET  22 -13.969   9.883   1.466
  167    H    TYR  23           H        TYR  23 -15.384  14.871   1.281
  168    HA   TYR  23           HA       TYR  23 -16.230  14.228  -1.435
  169    HB2  TYR  23           HB2      TYR  23 -16.164  17.107  -0.459
  170    HB3  TYR  23           HB3      TYR  23 -16.342  16.599  -2.142
  171    HD1  TYR  23           HD1      TYR  23 -18.310  14.609  -2.359
  172    HD2  TYR  23           HD2      TYR  23 -18.186  17.810   0.524
  173    HE1  TYR  23           HE1      TYR  23 -20.693  14.224  -1.847
  174    HE2  TYR  23           HE2      TYR  23 -20.596  17.476   1.002
  175    HH   TYR  23           HH       TYR  23 -22.468  14.797  -0.534
  176    H    GLU  24           H        GLU  24 -14.670  14.439  -2.899
  177    HA   GLU  24           HA       GLU  24 -12.106  13.744  -1.786
  178    HB2  GLU  24           HB2      GLU  24 -13.292  12.691  -3.700
  179    HB3  GLU  24           HB3      GLU  24 -13.084  14.146  -4.666
  180    HG2  GLU  24           HG2      GLU  24 -10.726  13.828  -4.834
  181    HG3  GLU  24           HG3      GLU  24 -10.696  12.660  -3.519
  182    H    ALA  25           H        ALA  25 -10.174  14.745  -2.052
  183    HA   ALA  25           HA       ALA  25 -10.316  17.655  -2.383
  184    HB1  ALA  25           HB1      ALA  25 -10.511  17.205   0.001
  185    HB2  ALA  25           HB2      ALA  25  -9.174  16.061  -0.033
  186    HB3  ALA  25           HB3      ALA  25  -8.867  17.773  -0.281
  187    H    LYS  26           H        LYS  26  -8.086  18.592  -2.742
  188    HA   LYS  26           HA       LYS  26  -5.995  16.701  -3.661
  189    HB2  LYS  26           HB2      LYS  26  -7.467  17.214  -5.637
  190    HB3  LYS  26           HB3      LYS  26  -7.141  18.922  -5.401
  191    HG2  LYS  26           HG2      LYS  26  -4.592  18.204  -5.621
  192    HG3  LYS  26           HG3      LYS  26  -5.268  16.696  -6.269
  193    HD2  LYS  26           HD2      LYS  26  -4.765  18.097  -8.130
  194    HD3  LYS  26           HD3      LYS  26  -6.526  18.089  -7.979
  195    HE2  LYS  26           HE2      LYS  26  -6.323  20.283  -6.678
  196    HE3  LYS  26           HE3      LYS  26  -4.595  20.273  -7.031
  197    HZ1  LYS  26           HZ1      LYS  26  -5.767  21.611  -8.630
  198    HZ2  LYS  26           HZ2      LYS  26  -5.142  20.335  -9.398
  199    HZ3  LYS  26           HZ3      LYS  26  -6.761  20.375  -9.059
  200    H    ILE  27           H        ILE  27  -4.518  17.351  -2.173
  201    HA   ILE  27           HA       ILE  27  -4.387  19.903  -0.920
  202    HB   ILE  27           HB       ILE  27  -2.436  17.581  -1.189
  203   HG12  ILE  27          HG12      ILE  27  -3.284  18.196   1.541
  204   HG13  ILE  27          HG13      ILE  27  -4.664  17.934   0.558
  205   HG21  ILE  27          HG21      ILE  27  -2.182  20.086   0.514
  206   HG22  ILE  27          HG22      ILE  27  -1.192  18.631   0.760
  207   HG23  ILE  27          HG23      ILE  27  -1.054  19.545  -0.747
  208   HD11  ILE  27          HD11      ILE  27  -3.683  15.640  -0.040
  209   HD12  ILE  27          HD12      ILE  27  -2.306  16.010   0.986
  210   HD13  ILE  27          HD13      ILE  27  -3.949  15.929   1.727
  211    H    LEU  28           H        LEU  28  -3.400  21.835  -1.621
  212    HA   LEU  28           HA       LEU  28  -1.022  21.601  -3.397
  213    HB2  LEU  28           HB2      LEU  28  -2.978  22.147  -4.677
  214    HB3  LEU  28           HB3      LEU  28  -3.543  23.342  -3.526
  215    HG   LEU  28           HG       LEU  28  -0.902  23.830  -4.937
  216   HD11  LEU  28          HD11      LEU  28  -3.736  24.199  -5.919
  217   HD12  LEU  28          HD12      LEU  28  -2.285  24.858  -6.744
  218   HD13  LEU  28          HD13      LEU  28  -2.518  23.108  -6.613
  219   HD21  LEU  28          HD21      LEU  28  -1.450  25.559  -3.298
  220   HD22  LEU  28          HD22      LEU  28  -1.818  26.230  -4.859
  221   HD23  LEU  28          HD23      LEU  28  -3.134  25.662  -3.826
  222    H    LYS  29           H        LYS  29  -2.792  24.064  -1.420
  223    HA   LYS  29           HA       LYS  29  -0.105  25.177  -0.824
  224    HB2  LYS  29           HB2      LYS  29  -2.403  26.503  -1.506
  225    HB3  LYS  29           HB3      LYS  29  -2.564  26.519   0.249
  226    HG2  LYS  29           HG2      LYS  29  -0.786  27.900   0.585
  227    HG3  LYS  29           HG3      LYS  29   0.094  27.315  -0.824
  228    HD2  LYS  29           HD2      LYS  29  -0.592  29.603  -1.210
  229    HD3  LYS  29           HD3      LYS  29  -1.380  28.506  -2.354
  230    HE2  LYS  29           HE2      LYS  29  -3.422  28.493  -0.935
  231    HE3  LYS  29           HE3      LYS  29  -2.599  29.590   0.209
  232    HZ1  LYS  29           HZ1      LYS  29  -3.417  30.218  -2.567
  233    HZ2  LYS  29           HZ2      LYS  29  -3.921  30.960  -1.185
  234    HZ3  LYS  29           HZ3      LYS  29  -2.407  31.177  -1.691
  235    H    ILE  30           H        ILE  30   0.813  24.685   1.171
  236    HA   ILE  30           HA       ILE  30  -1.039  23.341   3.061
  237    HB   ILE  30           HB       ILE  30   0.254  21.599   3.531
  238   HG12  ILE  30          HG12      ILE  30   2.471  22.661   3.749
  239   HG13  ILE  30          HG13      ILE  30   2.484  21.074   2.987
  240   HG21  ILE  30          HG21      ILE  30   0.455  20.387   1.461
  241   HG22  ILE  30          HG22      ILE  30  -0.861  21.587   1.273
  242   HG23  ILE  30          HG23      ILE  30   0.657  21.870   0.508
  243   HD11  ILE  30          HD11      ILE  30   2.738  22.035   0.784
  244   HD12  ILE  30          HD12      ILE  30   2.532  23.671   1.453
  245   HD13  ILE  30          HD13      ILE  30   3.977  22.710   1.865
  246    H    TRP  31           H        TRP  31  -0.538  23.436   5.088
  247    HA   TRP  31           HA       TRP  31   0.951  25.928   5.926
  248    HB2  TRP  31           HB2      TRP  31  -1.156  26.810   5.653
  249    HB3  TRP  31           HB3      TRP  31  -1.969  25.326   6.068
  250    HD1  TRP  31           HD1      TRP  31  -1.948  24.708   8.835
  251    HE1  TRP  31           HE1      TRP  31  -2.354  26.309  10.804
  252    HE3  TRP  31           HE3      TRP  31  -0.883  29.177   6.557
  253    HZ2  TRP  31           HZ2      TRP  31  -2.162  29.054  11.355
  254    HZ3  TRP  31           HZ3      TRP  31  -1.135  31.287   7.832
  255    HH2  TRP  31           HH2      TRP  31  -1.815  31.244  10.227
  256    H    ASP  32           H        ASP  32   1.437  26.134   8.100
  257    HA   ASP  32           HA       ASP  32   1.575  23.726   9.725
  258    HB2  ASP  32           HB2      ASP  32   3.476  23.680   8.075
  259    HB3  ASP  32           HB3      ASP  32   4.042  25.217   8.737
  260    HA   PRO  33           HA       PRO  33   0.922  27.429  12.228
  261    HB2  PRO  33           HB2      PRO  33   0.747  26.190  14.736
  262    HB3  PRO  33           HB3      PRO  33  -0.575  26.391  13.563
  263    HG2  PRO  33           HG2      PRO  33   1.272  24.015  13.933
  264    HG3  PRO  33           HG3      PRO  33  -0.514  24.001  13.707
  265    HD2  PRO  33           HD2      PRO  33   1.179  23.442  11.737
  266    HD3  PRO  33           HD3      PRO  33  -0.296  24.418  11.417
  267    H    SER  34           H        SER  34   3.743  25.511  12.270
  268    HA   SER  34           HA       SER  34   5.115  26.571  14.554
  269    HB2  SER  34           HB2      SER  34   6.352  25.679  11.922
  270    HB3  SER  34           HB3      SER  34   7.138  25.788  13.501
  271    HG   SER  34           HG       SER  34   5.153  24.010  12.580
  272    H    SER  35           H        SER  35   4.448  27.908  11.365
  273    HA   SER  35           HA       SER  35   5.756  30.460  12.200
  274    HB2  SER  35           HB2      SER  35   5.395  29.449   9.355
  275    HB3  SER  35           HB3      SER  35   6.285  30.880   9.895
  276    HG   SER  35           HG       SER  35   7.682  29.119   9.461
  277    H    LYS  36           H        LYS  36   2.808  28.907  11.575
  278    HA   LYS  36           HA       LYS  36   0.800  29.444  10.806
  279    HB2  LYS  36           HB2      LYS  36   1.439  31.814  12.572
  280    HB3  LYS  36           HB3      LYS  36  -0.093  31.770  11.721
  281    HG2  LYS  36           HG2      LYS  36  -0.997  30.067  12.887
  282    HG3  LYS  36           HG3      LYS  36   0.534  29.258  13.185
  283    HD2  LYS  36           HD2      LYS  36  -0.279  31.835  14.578
  284    HD3  LYS  36           HD3      LYS  36  -0.526  30.205  15.245
  285    HE2  LYS  36           HE2      LYS  36   1.901  29.751  15.099
  286    HE3  LYS  36           HE3      LYS  36   2.183  31.346  14.408
  287    HZ1  LYS  36           HZ1      LYS  36   1.372  32.316  16.496
  288    HZ2  LYS  36           HZ2      LYS  36   1.131  30.827  17.133
  289    HZ3  LYS  36           HZ3      LYS  36   2.641  31.328  16.776
  290    H    MET  37           H        MET  37   2.382  29.569   8.798
  291    HA   MET  37           HA       MET  37   1.100  31.470   7.058
  292    HB2  MET  37           HB2      MET  37   4.123  31.270   7.204
  293    HB3  MET  37           HB3      MET  37   3.224  32.063   5.901
  294    HG2  MET  37           HG2      MET  37   2.203  33.612   7.612
  295    HG3  MET  37           HG3      MET  37   3.264  32.904   8.820
  296    HE1  MET  37           HE1      MET  37   6.002  32.680   8.091
  297    HE2  MET  37           HE2      MET  37   5.652  32.642   6.364
  298    HE3  MET  37           HE3      MET  37   6.752  33.887   6.964
  299    H    TYR  38           H        TYR  38   1.926  30.689   4.728
  300    HA   TYR  38           HA       TYR  38   1.521  27.730   4.771
  301    HB2  TYR  38           HB2      TYR  38   0.092  28.079   2.851
  302    HB3  TYR  38           HB3      TYR  38  -0.420  29.079   4.220
  303    HD1  TYR  38           HD1      TYR  38   1.358  29.256   0.901
  304    HD2  TYR  38           HD2      TYR  38  -0.314  31.349   4.252
  305    HE1  TYR  38           HE1      TYR  38   1.381  31.325  -0.428
  306    HE2  TYR  38           HE2      TYR  38   0.022  33.506   3.034
  307    HH   TYR  38           HH       TYR  38   0.608  34.536   1.117
  308    H    THR  39           H        THR  39   1.802  27.132   2.112
  309    HA   THR  39           HA       THR  39   4.306  27.947   0.983
  310    HB   THR  39           HB       THR  39   5.026  25.370   1.294
  311    HG1  THR  39           HG1      THR  39   3.112  25.473   3.055
  312   HG21  THR  39          HG21      THR  39   6.640  25.998   2.917
  313   HG22  THR  39          HG22      THR  39   6.353  27.434   1.907
  314   HG23  THR  39          HG23      THR  39   5.635  27.326   3.528
  315    H    SER  40           H        SER  40   4.506  26.724  -1.110
  316    HA   SER  40           HA       SER  40   2.328  24.893  -1.888
  317    HB2  SER  40           HB2      SER  40   1.722  27.550  -2.104
  318    HB3  SER  40           HB3      SER  40   2.496  27.217  -3.676
  319    HG   SER  40           HG       SER  40   0.277  26.791  -3.698
  320    H    ILE  41           H        ILE  41   2.648  24.384  -4.256
  321    HA   ILE  41           HA       ILE  41   5.130  25.183  -5.490
  322    HB   ILE  41           HB       ILE  41   5.649  22.729  -6.112
  323   HG12  ILE  41          HG12      ILE  41   5.237  21.037  -4.435
  324   HG13  ILE  41          HG13      ILE  41   4.113  22.104  -3.581
  325   HG21  ILE  41          HG21      ILE  41   7.157  22.461  -4.288
  326   HG22  ILE  41          HG22      ILE  41   7.025  24.183  -4.644
  327   HG23  ILE  41          HG23      ILE  41   6.191  23.502  -3.233
  328   HD11  ILE  41          HD11      ILE  41   3.281  20.239  -5.290
  329   HD12  ILE  41          HD12      ILE  41   2.460  21.807  -5.189
  330   HD13  ILE  41          HD13      ILE  41   3.652  21.507  -6.482
  331    HA   PRO  42           HA       PRO  42   2.217  25.050  -8.868
  332    HB2  PRO  42           HB2      PRO  42   3.807  25.726 -10.959
  333    HB3  PRO  42           HB3      PRO  42   3.643  26.813  -9.559
  334    HG2  PRO  42           HG2      PRO  42   5.792  24.674  -9.965
  335    HG3  PRO  42           HG3      PRO  42   6.052  26.425  -9.743
  336    HD2  PRO  42           HD2      PRO  42   6.097  24.781  -7.591
  337    HD3  PRO  42           HD3      PRO  42   5.188  26.332  -7.486
  338    H    ASN  43           H        ASN  43   3.249  22.331  -8.043
  339    HA   ASN  43           HA       ASN  43   3.960  20.753 -10.331
  340    HB2  ASN  43           HB2      ASN  43   4.161  19.858  -8.032
  341    HB3  ASN  43           HB3      ASN  43   2.408  19.951  -7.825
  342   HD21  ASN  43          HD21      ASN  43   1.299  18.037  -8.275
  343   HD22  ASN  43          HD22      ASN  43   1.923  16.759  -9.285
  344    H    ASP  44           H        ASP  44   0.914  22.060  -9.177
  345    HA   ASP  44           HA       ASP  44  -0.317  21.607 -11.740
  346    HB2  ASP  44           HB2      ASP  44  -0.937  19.503 -10.557
  347    HB3  ASP  44           HB3      ASP  44  -1.690  20.463  -9.278
  348    H    LYS  45           H        LYS  45  -2.930  22.356  -9.983
  349    HA   LYS  45           HA       LYS  45  -2.341  25.183  -9.466
  350    HB2  LYS  45           HB2      LYS  45  -3.959  25.896 -11.217
  351    HB3  LYS  45           HB3      LYS  45  -2.584  25.034 -11.913
  352    HG2  LYS  45           HG2      LYS  45  -4.078  22.932 -11.885
  353    HG3  LYS  45           HG3      LYS  45  -5.429  24.008 -11.550
  354    HD2  LYS  45           HD2      LYS  45  -5.189  25.119 -13.650
  355    HD3  LYS  45           HD3      LYS  45  -3.579  24.457 -13.938
  356    HE2  LYS  45           HE2      LYS  45  -6.070  22.716 -13.710
  357    HE3  LYS  45           HE3      LYS  45  -5.493  23.384 -15.244
  358    HZ1  LYS  45           HZ1      LYS  45  -4.689  21.132 -14.869
  359    HZ2  LYS  45           HZ2      LYS  45  -3.442  22.172 -14.977
  360    HZ3  LYS  45           HZ3      LYS  45  -3.866  21.567 -13.522
  361    HA   PRO  46           HA       PRO  46  -5.844  24.331  -6.774
  362    HB2  PRO  46           HB2      PRO  46  -6.976  27.024  -7.494
  363    HB3  PRO  46           HB3      PRO  46  -6.669  26.318  -5.887
  364    HG2  PRO  46           HG2      PRO  46  -5.021  28.223  -6.919
  365    HG3  PRO  46           HG3      PRO  46  -4.361  26.834  -5.995
  366    HD2  PRO  46           HD2      PRO  46  -4.478  27.204  -8.994
  367    HD3  PRO  46           HD3      PRO  46  -3.147  26.583  -7.982
  368    H    GLY  47           H        GLY  47  -6.890  26.326  -9.557
  369    HA2  GLY  47           HA2      GLY  47  -8.300  25.000 -11.299
  370    HA3  GLY  47           HA3      GLY  47  -9.319  24.696  -9.859
  371    H    GLY  48           H        GLY  48  -9.309  26.938  -8.423
  372    HA2  GLY  48           HA2      GLY  48 -10.730  28.962  -9.889
  373    HA3  GLY  48           HA3      GLY  48 -10.166  29.036  -8.209
  374    H    SER  49           H        SER  49  -7.367  28.362  -9.585
  375    HA   SER  49           HA       SER  49  -6.707  30.930 -10.853
  376    HB2  SER  49           HB2      SER  49  -4.981  29.712  -8.659
  377    HB3  SER  49           HB3      SER  49  -4.728  31.248  -9.504
  378    HG   SER  49           HG       SER  49  -6.670  32.015  -8.509
  379    H    SER  50           H        SER  50  -4.784  30.700 -12.200
  380    HA   SER  50           HA       SER  50  -4.883  28.255 -13.615
  381    HB2  SER  50           HB2      SER  50  -2.878  30.516 -13.960
  382    HB3  SER  50           HB3      SER  50  -3.469  29.388 -15.192
  383    HG   SER  50           HG       SER  50  -4.520  31.417 -15.337
  384    H    GLN  51           H        GLN  51  -2.624  29.187 -11.041
  385    HA   GLN  51           HA       GLN  51  -1.305  26.680 -11.167
  386    HB2  GLN  51           HB2      GLN  51  -0.210  28.517 -12.959
  387    HB3  GLN  51           HB3      GLN  51   0.743  28.829 -11.511
  388    HG2  GLN  51           HG2      GLN  51   1.263  26.364 -11.390
  389    HG3  GLN  51           HG3      GLN  51   0.268  26.110 -12.825
  390   HE21  GLN  51          HE21      GLN  51   2.640  25.100 -13.235
  391   HE22  GLN  51          HE22      GLN  51   3.684  26.151 -14.165
  392    H    ALA  52           H        ALA  52   0.703  27.035  -9.646
  393    HA   ALA  52           HA       ALA  52   0.068  28.737  -7.280
  394    HB1  ALA  52           HB1      ALA  52   0.914  25.847  -7.343
  395    HB2  ALA  52           HB2      ALA  52   0.779  26.850  -5.881
  396    HB3  ALA  52           HB3      ALA  52  -0.673  26.482  -6.849
  397    H    THR  53           H        THR  53   1.569  29.365  -9.285
  398    HA   THR  53           HA       THR  53   3.464  30.213 -10.073
  399    HB   THR  53           HB       THR  53   4.422  31.870  -8.471
  400    HG1  THR  53           HG1      THR  53   3.461  31.993  -6.459
  401   HG21  THR  53          HG21      THR  53   2.303  33.106  -8.352
  402   HG22  THR  53          HG22      THR  53   2.390  32.227  -9.890
  403   HG23  THR  53          HG23      THR  53   1.379  31.602  -8.574
  404    H    LYS  54           H        LYS  54   4.887  29.165  -6.955
  405    HA   LYS  54           HA       LYS  54   6.990  27.687  -8.275
  406    HB2  LYS  54           HB2      LYS  54   7.490  30.420  -8.291
  407    HB3  LYS  54           HB3      LYS  54   8.175  29.973  -6.751
  408    HG2  LYS  54           HG2      LYS  54   9.946  29.759  -8.328
  409    HG3  LYS  54           HG3      LYS  54   9.436  28.108  -7.944
  410    HD2  LYS  54           HD2      LYS  54   9.893  28.319 -10.317
  411    HD3  LYS  54           HD3      LYS  54   8.181  27.983 -10.075
  412    HE2  LYS  54           HE2      LYS  54   7.703  30.441 -10.325
  413    HE3  LYS  54           HE3      LYS  54   9.419  30.708 -10.671
  414    HZ1  LYS  54           HZ1      LYS  54   9.148  29.243 -12.606
  415    HZ2  LYS  54           HZ2      LYS  54   7.550  29.056 -12.269
  416    HZ3  LYS  54           HZ3      LYS  54   8.137  30.521 -12.685
  417    H    GLU  55           H        GLU  55   8.884  27.667  -6.155
  418    HA   GLU  55           HA       GLU  55   7.432  26.340  -3.997
  419    HB2  GLU  55           HB2      GLU  55  10.312  27.334  -4.211
  420    HB3  GLU  55           HB3      GLU  55   9.609  26.530  -2.804
  421    HG2  GLU  55           HG2      GLU  55  10.898  24.932  -4.073
  422    HG3  GLU  55           HG3      GLU  55   9.197  24.506  -4.123
  423    H    ILE  56           H        ILE  56   5.950  27.717  -3.125
  424    HA   ILE  56           HA       ILE  56   6.429  30.556  -3.078
  425    HB   ILE  56           HB       ILE  56   4.165  29.121  -1.639
  426   HG12  ILE  56          HG12      ILE  56   4.434  30.152  -4.499
  427   HG13  ILE  56          HG13      ILE  56   4.117  28.507  -3.963
  428   HG21  ILE  56          HG21      ILE  56   3.054  31.370  -1.894
  429   HG22  ILE  56          HG22      ILE  56   4.472  31.434  -0.878
  430   HG23  ILE  56          HG23      ILE  56   4.561  32.012  -2.563
  431   HD11  ILE  56          HD11      ILE  56   2.220  30.838  -4.020
  432   HD12  ILE  56          HD12      ILE  56   2.062  29.218  -4.713
  433   HD13  ILE  56          HD13      ILE  56   1.910  29.461  -2.923
  434    H    LYS  57           H        LYS  57   7.299  31.801  -1.520
  435    HA   LYS  57           HA       LYS  57   8.635  30.539   0.744
  436    HB2  LYS  57           HB2      LYS  57   8.169  33.490   0.070
  437    HB3  LYS  57           HB3      LYS  57   9.247  32.895   1.325
  438    HG2  LYS  57           HG2      LYS  57   9.587  32.506  -1.683
  439    HG3  LYS  57           HG3      LYS  57  10.513  33.583  -0.633
  440    HD2  LYS  57           HD2      LYS  57  11.376  31.590   0.622
  441    HD3  LYS  57           HD3      LYS  57  10.522  30.531  -0.537
  442    HE2  LYS  57           HE2      LYS  57  11.797  31.519  -2.405
  443    HE3  LYS  57           HE3      LYS  57  12.631  32.605  -1.284
  444    HZ1  LYS  57           HZ1      LYS  57  13.606  30.658  -0.224
  445    HZ2  LYS  57           HZ2      LYS  57  12.835  29.650  -1.260
  446    HZ3  LYS  57           HZ3      LYS  57  13.974  30.676  -1.816
  447    HA   PRO  58           HA       PRO  58   5.042  30.960   3.205
  448    HB2  PRO  58           HB2      PRO  58   5.981  30.701   5.778
  449    HB3  PRO  58           HB3      PRO  58   6.020  29.355   4.629
  450    HG2  PRO  58           HG2      PRO  58   8.290  31.194   5.329
  451    HG3  PRO  58           HG3      PRO  58   8.283  29.403   5.179
  452    HD2  PRO  58           HD2      PRO  58   9.025  31.161   3.190
  453    HD3  PRO  58           HD3      PRO  58   8.351  29.509   2.834
  454    H    GLN  59           H        GLN  59   3.950  32.707   3.487
  455    HA   GLN  59           HA       GLN  59   5.256  35.268   4.280
  456    HB2  GLN  59           HB2      GLN  59   3.788  34.584   1.702
  457    HB3  GLN  59           HB3      GLN  59   3.891  36.244   2.290
  458    HG2  GLN  59           HG2      GLN  59   6.265  36.325   2.069
  459    HG3  GLN  59           HG3      GLN  59   6.398  34.585   1.852
  460   HE21  GLN  59          HE21      GLN  59   5.478  33.608  -0.110
  461   HE22  GLN  59          HE22      GLN  59   5.395  34.562  -1.591
  462    H    LYS  60           H        LYS  60   3.850  36.700   5.198
  463    HA   LYS  60           HA       LYS  60   1.483  36.022   6.477
  464    HB2  LYS  60           HB2      LYS  60   2.272  38.701   5.253
  465    HB3  LYS  60           HB3      LYS  60   0.859  38.464   6.293
  466    HG2  LYS  60           HG2      LYS  60   2.369  37.594   8.111
  467    HG3  LYS  60           HG3      LYS  60   3.762  37.925   7.074
  468    HD2  LYS  60           HD2      LYS  60   3.550  39.712   8.659
  469    HD3  LYS  60           HD3      LYS  60   3.155  40.344   7.051
  470    HE2  LYS  60           HE2      LYS  60   0.719  40.148   7.581
  471    HE3  LYS  60           HE3      LYS  60   1.121  39.472   9.168
  472    HZ1  LYS  60           HZ1      LYS  60   2.186  41.576   9.722
  473    HZ2  LYS  60           HZ2      LYS  60   1.817  42.204   8.258
  474    HZ3  LYS  60           HZ3      LYS  60   0.627  41.823   9.313
  475    H    LEU  61           H        LEU  61  -0.585  35.748   5.946
  476    HA   LEU  61           HA       LEU  61  -1.174  35.452   3.075
  477    HB2  LEU  61           HB2      LEU  61  -2.181  33.514   3.586
  478    HB3  LEU  61           HB3      LEU  61  -1.025  33.537   4.879
  479    HG   LEU  61           HG       LEU  61  -3.833  34.568   5.450
  480   HD11  LEU  61          HD11      LEU  61  -4.107  32.521   4.279
  481   HD12  LEU  61          HD12      LEU  61  -2.837  31.710   5.214
  482   HD13  LEU  61          HD13      LEU  61  -4.383  32.245   5.991
  483   HD21  LEU  61          HD21      LEU  61  -3.208  33.623   7.687
  484   HD22  LEU  61          HD22      LEU  61  -1.580  33.291   7.051
  485   HD23  LEU  61          HD23      LEU  61  -2.169  34.959   7.176
  486    H    GLY  62           H        GLY  62  -3.719  35.131   2.805
  487    HA2  GLY  62           HA2      GLY  62  -5.850  35.922   3.520
  488    HA3  GLY  62           HA3      GLY  62  -5.148  37.461   4.022
  489    H    GLU  63           H        GLU  63  -4.445  35.722   0.974
  490    HA   GLU  63           HA       GLU  63  -4.980  38.205  -0.539
  491    HB2  GLU  63           HB2      GLU  63  -3.878  35.471  -1.349
  492    HB3  GLU  63           HB3      GLU  63  -4.073  36.842  -2.444
  493    HG2  GLU  63           HG2      GLU  63  -2.250  36.754   0.002
  494    HG3  GLU  63           HG3      GLU  63  -1.747  36.607  -1.677
  495    H    ASP  64           H        ASP  64  -6.167  34.857  -0.155
  496    HA   ASP  64           HA       ASP  64  -8.791  35.607  -1.285
  497    HB2  ASP  64           HB2      ASP  64  -7.284  35.024  -3.243
  498    HB3  ASP  64           HB3      ASP  64  -7.105  33.413  -2.564
  499    H    GLU  65           H        GLU  65  -7.170  34.156   1.147
  500    HA   GLU  65           HA       GLU  65  -9.167  32.037   1.653
  501    HB2  GLU  65           HB2      GLU  65  -7.448  30.379   1.948
  502    HB3  GLU  65           HB3      GLU  65  -7.279  31.024   0.326
  503    HG2  GLU  65           HG2      GLU  65  -5.569  31.755   2.725
  504    HG3  GLU  65           HG3      GLU  65  -5.169  30.596   1.470
  505    H    SER  66           H        SER  66  -9.071  31.302   3.898
  506    HA   SER  66           HA       SER  66  -7.245  32.650   5.776
  507    HB2  SER  66           HB2      SER  66 -10.277  32.672   6.140
  508    HB3  SER  66           HB3      SER  66  -9.078  33.232   7.306
  509    HG   SER  66           HG       SER  66 -10.047  34.959   6.111
  510    H    ILE  67           H        ILE  67  -6.643  31.144   7.307
  511    HA   ILE  67           HA       ILE  67  -8.107  28.575   7.415
  512    HB   ILE  67           HB       ILE  67  -6.233  28.225   9.196
  513   HG12  ILE  67          HG12      ILE  67  -4.977  30.415   8.706
  514   HG13  ILE  67          HG13      ILE  67  -4.084  28.937   8.770
  515   HG21  ILE  67          HG21      ILE  67  -4.853  27.052   7.751
  516   HG22  ILE  67          HG22      ILE  67  -6.561  26.645   7.590
  517   HG23  ILE  67          HG23      ILE  67  -5.791  27.703   6.340
  518   HD11  ILE  67          HD11      ILE  67  -3.802  28.810   6.425
  519   HD12  ILE  67          HD12      ILE  67  -5.024  30.075   6.155
  520   HD13  ILE  67          HD13      ILE  67  -3.468  30.463   6.938
  521    HA   PRO  68           HA       PRO  68  -9.886  30.620  11.163
  522    HB2  PRO  68           HB2      PRO  68 -11.668  28.658  11.885
  523    HB3  PRO  68           HB3      PRO  68 -11.989  29.875  10.614
  524    HG2  PRO  68           HG2      PRO  68 -11.018  27.031  10.265
  525    HG3  PRO  68           HG3      PRO  68 -12.314  27.884   9.369
  526    HD2  PRO  68           HD2      PRO  68  -9.800  27.649   8.363
  527    HD3  PRO  68           HD3      PRO  68 -10.755  29.130   8.106
  528    H    GLU  69           H        GLU  69  -9.574  30.244  13.408
  529    HA   GLU  69           HA       GLU  69  -7.253  28.938  14.146
  530    HB2  GLU  69           HB2      GLU  69  -9.560  29.682  15.944
  531    HB3  GLU  69           HB3      GLU  69  -7.897  29.276  16.446
  532    HG2  GLU  69           HG2      GLU  69  -7.032  31.183  15.115
  533    HG3  GLU  69           HG3      GLU  69  -8.687  31.643  14.693
  534    H    GLU  70           H        GLU  70 -10.437  27.626  13.820
  535    HA   GLU  70           HA       GLU  70 -10.487  25.333  15.412
  536    HB2  GLU  70           HB2      GLU  70 -12.349  26.323  14.043
  537    HB3  GLU  70           HB3      GLU  70 -11.553  25.724  12.580
  538    HG2  GLU  70           HG2      GLU  70 -11.788  23.379  13.496
  539    HG3  GLU  70           HG3      GLU  70 -12.674  24.049  14.871
  540    H    ILE  71           H        ILE  71  -8.956  25.826  12.192
  541    HA   ILE  71           HA       ILE  71  -8.058  22.979  12.225
  542    HB   ILE  71           HB       ILE  71  -7.670  23.257   9.836
  543   HG12  ILE  71          HG12      ILE  71  -8.969  25.994  10.049
  544   HG13  ILE  71          HG13      ILE  71  -7.291  25.692   9.634
  545   HG21  ILE  71          HG21      ILE  71 -10.496  24.102  10.537
  546   HG22  ILE  71          HG22      ILE  71  -9.965  23.096   9.186
  547   HG23  ILE  71          HG23      ILE  71  -9.855  22.459  10.829
  548   HD11  ILE  71          HD11      ILE  71  -8.579  26.117   7.580
  549   HD12  ILE  71          HD12      ILE  71  -8.060  24.428   7.592
  550   HD13  ILE  71          HD13      ILE  71  -9.743  24.887   7.984
  551    H    ILE  72           H        ILE  72  -6.895  26.259  12.415
  552    HA   ILE  72           HA       ILE  72  -4.477  26.219  11.243
  553    HB   ILE  72           HB       ILE  72  -5.940  27.682  13.334
  554   HG12  ILE  72          HG12      ILE  72  -4.395  28.164  10.822
  555   HG13  ILE  72          HG13      ILE  72  -6.129  28.225  11.198
  556   HG21  ILE  72          HG21      ILE  72  -2.983  28.183  13.429
  557   HG22  ILE  72          HG22      ILE  72  -4.301  29.137  14.186
  558   HG23  ILE  72          HG23      ILE  72  -4.022  27.500  14.728
  559   HD11  ILE  72          HD11      ILE  72  -4.017  30.141  12.045
  560   HD12  ILE  72          HD12      ILE  72  -5.205  30.326  10.740
  561   HD13  ILE  72          HD13      ILE  72  -5.775  30.235  12.450
  562    H    ASN  73           H        ASN  73  -5.182  24.980  14.344
  563    HA   ASN  73           HA       ASN  73  -2.591  24.858  15.506
  564    HB2  ASN  73           HB2      ASN  73  -3.810  23.526  17.175
  565    HB3  ASN  73           HB3      ASN  73  -4.636  25.037  16.736
  566   HD21  ASN  73          HD21      ASN  73  -6.764  24.940  15.845
  567   HD22  ASN  73          HD22      ASN  73  -7.545  23.449  15.420
  568    H    GLY  74           H        GLY  74  -3.445  23.280  12.913
  569    HA2  GLY  74           HA2      GLY  74  -1.503  21.124  13.281
  570    HA3  GLY  74           HA3      GLY  74  -3.130  20.581  12.809
  571    H    LYS  75           H        LYS  75  -1.414  19.991  11.213
  572    HA   LYS  75           HA       LYS  75  -0.631  21.618   9.033
  573    HB2  LYS  75           HB2      LYS  75  -1.360  18.708   9.419
  574    HB3  LYS  75           HB3      LYS  75  -1.243  19.331   7.786
  575    HG2  LYS  75           HG2      LYS  75   0.951  19.678   9.823
  576    HG3  LYS  75           HG3      LYS  75   0.850  18.273   8.734
  577    HD2  LYS  75           HD2      LYS  75   1.692  19.368   6.968
  578    HD3  LYS  75           HD3      LYS  75   0.580  20.703   7.166
  579    HE2  LYS  75           HE2      LYS  75   2.775  21.598   7.322
  580    HE3  LYS  75           HE3      LYS  75   2.027  21.684   8.919
  581    HZ1  LYS  75           HZ1      LYS  75   4.072  19.718   8.045
  582    HZ2  LYS  75           HZ2      LYS  75   4.264  20.951   9.112
  583    HZ3  LYS  75           HZ3      LYS  75   3.315  19.675   9.507
  584    H    CYS  76           H        CYS  76  -1.761  22.630   7.468
  585    HA   CYS  76           HA       CYS  76  -4.618  21.837   7.100
  586    HB2  CYS  76           HB2      CYS  76  -3.645  24.733   7.047
  587    HB3  CYS  76           HB3      CYS  76  -5.234  24.164   6.577
  588    HG   CYS  76           HG       CYS  76  -3.783  23.655   9.528
  589    H    PHE  77           H        PHE  77  -5.353  21.910   5.035
  590    HA   PHE  77           HA       PHE  77  -3.324  22.310   2.880
  591    HB2  PHE  77           HB2      PHE  77  -5.386  20.076   3.080
  592    HB3  PHE  77           HB3      PHE  77  -4.149  20.294   1.846
  593    HD1  PHE  77           HD1      PHE  77  -1.721  20.281   2.645
  594    HD2  PHE  77           HD2      PHE  77  -4.947  18.975   5.087
  595    HE1  PHE  77           HE1      PHE  77  -0.051  19.259   4.182
  596    HE2  PHE  77           HE2      PHE  77  -3.342  17.931   6.647
  597    HZ   PHE  77           HZ       PHE  77  -0.882  17.952   6.145
  598    H    PHE  78           H        PHE  78  -4.016  23.838   1.624
  599    HA   PHE  78           HA       PHE  78  -6.793  24.609   1.118
  600    HB2  PHE  78           HB2      PHE  78  -4.767  26.157   1.040
  601    HB3  PHE  78           HB3      PHE  78  -4.250  25.257  -0.377
  602    HD1  PHE  78           HD1      PHE  78  -7.121  27.266   0.982
  603    HD2  PHE  78           HD2      PHE  78  -4.969  25.931  -2.509
  604    HE1  PHE  78           HE1      PHE  78  -8.475  28.788  -0.450
  605    HE2  PHE  78           HE2      PHE  78  -6.244  27.537  -3.908
  606    HZ   PHE  78           HZ       PHE  78  -7.988  28.975  -2.870
  607    H    ILE  79           H        ILE  79  -7.974  23.176   0.022
  608    HA   ILE  79           HA       ILE  79  -6.625  21.354  -1.884
  609    HB   ILE  79           HB       ILE  79  -8.561  19.802  -1.181
  610   HG12  ILE  79          HG12      ILE  79  -8.676  21.493   1.311
  611   HG13  ILE  79          HG13      ILE  79  -9.723  21.857  -0.054
  612   HG21  ILE  79          HG21      ILE  79  -7.389  19.341   1.118
  613   HG22  ILE  79          HG22      ILE  79  -6.520  19.061  -0.391
  614   HG23  ILE  79          HG23      ILE  79  -6.200  20.512   0.585
  615   HD11  ILE  79          HD11      ILE  79 -10.807  19.735   0.034
  616   HD12  ILE  79          HD12      ILE  79  -9.841  19.296   1.484
  617   HD13  ILE  79          HD13      ILE  79 -10.952  20.705   1.510
  618    H    HIS  80           H        HIS  80  -7.654  20.825  -3.817
  619    HA   HIS  80           HA       HIS  80 -10.011  22.502  -4.515
  620    HB2  HIS  80           HB2      HIS  80  -8.240  21.997  -6.218
  621    HB3  HIS  80           HB3      HIS  80  -8.805  20.314  -6.193
  622    HD2  HIS  80           HD2      HIS  80  -9.875  23.846  -7.251
  623    HE1  HIS  80           HE1      HIS  80 -12.774  21.182  -8.884
  624    HE2  HIS  80           HE2      HIS  80 -11.946  23.584  -8.875
  625    H    TYR  81           H        TYR  81 -11.924  21.808  -3.897
  626    HA   TYR  81           HA       TYR  81 -12.405  19.016  -3.073
  627    HB2  TYR  81           HB2      TYR  81 -14.039  21.532  -2.944
  628    HB3  TYR  81           HB3      TYR  81 -14.854  19.985  -2.959
  629    HD1  TYR  81           HD1      TYR  81 -14.032  18.152  -1.256
  630    HD2  TYR  81           HD2      TYR  81 -13.408  22.398  -0.782
  631    HE1  TYR  81           HE1      TYR  81 -14.091  17.870   1.174
  632    HE2  TYR  81           HE2      TYR  81 -13.442  22.129   1.670
  633    HH   TYR  81           HH       TYR  81 -14.039  18.957   3.253
  634    H    GLN  82           H        GLN  82 -12.591  17.633  -4.706
  635    HA   GLN  82           HA       GLN  82 -13.327  18.479  -7.392
  636    HB2  GLN  82           HB2      GLN  82 -12.895  15.650  -6.340
  637    HB3  GLN  82           HB3      GLN  82 -12.903  16.189  -8.023
  638    HG2  GLN  82           HG2      GLN  82 -10.975  17.770  -7.347
  639    HG3  GLN  82           HG3      GLN  82 -10.860  16.840  -5.857
  640   HE21  GLN  82          HE21      GLN  82  -8.709  17.016  -7.375
  641   HE22  GLN  82          HE22      GLN  82  -8.338  15.500  -8.180
  642    H    GLY  83           H        GLY  83 -15.058  17.433  -8.624
  643    HA2  GLY  83           HA2      GLY  83 -17.279  16.889  -8.939
  644    HA3  GLY  83           HA3      GLY  83 -17.396  16.371  -7.246
  645    H    TRP  84           H        TRP  84 -16.058  19.538  -7.361
  646    HA   TRP  84           HA       TRP  84 -18.731  20.816  -7.183
  647    HB2  TRP  84           HB2      TRP  84 -16.610  20.959  -4.988
  648    HB3  TRP  84           HB3      TRP  84 -18.137  21.855  -5.056
  649    HD1  TRP  84           HD1      TRP  84 -16.813  18.737  -3.611
  650    HE1  TRP  84           HE1      TRP  84 -18.758  17.428  -2.557
  651    HE3  TRP  84           HE3      TRP  84 -20.674  21.149  -5.869
  652    HZ2  TRP  84           HZ2      TRP  84 -21.614  17.637  -2.505
  653    HZ3  TRP  84           HZ3      TRP  84 -23.045  20.600  -5.288
  654    HH2  TRP  84           HH2      TRP  84 -23.531  18.846  -3.582
  655    H    LYS  85           H        LYS  85 -18.488  23.208  -6.908
  656    HA   LYS  85           HA       LYS  85 -17.099  24.243  -9.181
  657    HB2  LYS  85           HB2      LYS  85 -18.178  25.664  -6.696
  658    HB3  LYS  85           HB3      LYS  85 -17.690  26.463  -8.186
  659    HG2  LYS  85           HG2      LYS  85 -20.073  24.584  -7.854
  660    HG3  LYS  85           HG3      LYS  85 -20.096  26.336  -8.018
  661    HD2  LYS  85           HD2      LYS  85 -20.591  25.820 -10.179
  662    HD3  LYS  85           HD3      LYS  85 -18.842  25.879 -10.308
  663    HE2  LYS  85           HE2      LYS  85 -19.455  23.929 -11.473
  664    HE3  LYS  85           HE3      LYS  85 -18.853  23.328  -9.925
  665    HZ1  LYS  85           HZ1      LYS  85 -21.700  23.661 -10.673
  666    HZ2  LYS  85           HZ2      LYS  85 -20.907  22.242 -10.556
  667    HZ3  LYS  85           HZ3      LYS  85 -21.193  23.130  -9.211
  668    H    SER  86           H        SER  86 -15.079  25.145  -9.366
  669    HA   SER  86           HA       SER  86 -13.084  24.796  -7.449
  670    HB2  SER  86           HB2      SER  86 -13.199  26.889  -9.661
  671    HB3  SER  86           HB3      SER  86 -11.740  26.277  -8.853
  672    HG   SER  86           HG       SER  86 -12.350  25.254 -10.935
  673    H    SER  87           H        SER  87 -15.610  27.192  -7.286
  674    HA   SER  87           HA       SER  87 -14.350  29.156  -5.710
  675    HB2  SER  87           HB2      SER  87 -17.153  28.045  -5.288
  676    HB3  SER  87           HB3      SER  87 -16.573  29.703  -5.007
  677    HG   SER  87           HG       SER  87 -17.734  29.559  -6.971
  678    H    TRP  88           H        TRP  88 -15.132  25.793  -5.009
  679    HA   TRP  88           HA       TRP  88 -14.837  25.976  -2.126
  680    HB2  TRP  88           HB2      TRP  88 -15.048  23.630  -4.055
  681    HB3  TRP  88           HB3      TRP  88 -14.869  23.487  -2.326
  682    HD1  TRP  88           HD1      TRP  88 -17.454  25.824  -3.997
  683    HE1  TRP  88           HE1      TRP  88 -19.716  25.214  -3.019
  684    HE3  TRP  88           HE3      TRP  88 -16.021  21.854  -1.155
  685    HZ2  TRP  88           HZ2      TRP  88 -20.864  22.989  -1.469
  686    HZ3  TRP  88           HZ3      TRP  88 -17.728  20.427  -0.010
  687    HH2  TRP  88           HH2      TRP  88 -20.138  20.997  -0.164
  688    H    ASP  89           H        ASP  89 -12.448  26.627  -4.251
  689    HA   ASP  89           HA       ASP  89 -10.365  24.809  -3.329
  690    HB2  ASP  89           HB2      ASP  89 -10.408  27.472  -4.773
  691    HB3  ASP  89           HB3      ASP  89  -8.933  26.921  -3.985
  692    H    GLU  90           H        GLU  90 -10.499  24.619  -1.108
  693    HA   GLU  90           HA       GLU  90 -10.286  27.075   0.575
  694    HB2  GLU  90           HB2      GLU  90 -12.683  26.192   0.226
  695    HB3  GLU  90           HB3      GLU  90 -12.125  24.634   0.863
  696    HG2  GLU  90           HG2      GLU  90 -13.400  25.945   2.505
  697    HG3  GLU  90           HG3      GLU  90 -11.789  25.544   3.045
  698    H    TRP  91           H        TRP  91  -9.171  26.677   2.643
  699    HA   TRP  91           HA       TRP  91  -7.836  24.104   2.739
  700    HB2  TRP  91           HB2      TRP  91  -7.559  25.498   5.253
  701    HB3  TRP  91           HB3      TRP  91  -6.379  24.792   4.188
  702    HD1  TRP  91           HD1      TRP  91  -8.449  28.037   4.431
  703    HE1  TRP  91           HE1      TRP  91  -6.849  30.000   4.243
  704    HE3  TRP  91           HE3      TRP  91  -4.081  25.490   3.523
  705    HZ2  TRP  91           HZ2      TRP  91  -4.070  30.441   3.502
  706    HZ3  TRP  91           HZ3      TRP  91  -2.002  26.742   3.010
  707    HH2  TRP  91           HH2      TRP  91  -2.079  29.262   2.840
  708    H    VAL  92           H        VAL  92  -7.830  22.601   4.259
  709    HA   VAL  92           HA       VAL  92  -9.850  22.694   6.439
  710    HB   VAL  92           HB       VAL  92 -10.156  20.193   6.158
  711   HG11  VAL  92          HG11      VAL  92 -11.247  21.864   3.875
  712   HG12  VAL  92          HG12      VAL  92 -11.873  20.325   4.528
  713   HG13  VAL  92          HG13      VAL  92 -11.930  21.793   5.525
  714   HG21  VAL  92          HG21      VAL  92  -9.142  20.698   3.352
  715   HG22  VAL  92          HG22      VAL  92  -8.313  19.785   4.609
  716   HG23  VAL  92          HG23      VAL  92  -9.885  19.209   3.989
  717    H    GLY  93           H        GLY  93  -9.218  21.247   8.209
  718    HA2  GLY  93           HA2      GLY  93  -6.267  20.898   8.414
  719    HA3  GLY  93           HA3      GLY  93  -7.403  20.985   9.768
  720    H    TYR  94           H        TYR  94  -5.726  18.939   9.693
  721    HA   TYR  94           HA       TYR  94  -6.624  16.528   8.532
  722    HB2  TYR  94           HB2      TYR  94  -4.677  17.455  10.428
  723    HB3  TYR  94           HB3      TYR  94  -5.490  16.035  11.117
  724    HD1  TYR  94           HD1      TYR  94  -5.919  14.106   9.441
  725    HD2  TYR  94           HD2      TYR  94  -2.993  17.192   8.871
  726    HE1  TYR  94           HE1      TYR  94  -4.851  12.734   7.677
  727    HE2  TYR  94           HE2      TYR  94  -1.930  15.840   7.057
  728    HH   TYR  94           HH       TYR  94  -3.025  12.497   6.247
  729    H    ASP  95           H        ASP  95  -7.935  18.350  11.083
  730    HA   ASP  95           HA       ASP  95  -9.598  16.575  12.482
  731    HB2  ASP  95           HB2      ASP  95  -9.421  18.941  13.071
  732    HB3  ASP  95           HB3      ASP  95 -10.119  19.416  11.519
  733    H    ARG  96           H        ARG  96  -9.841  17.678   9.139
  734    HA   ARG  96           HA       ARG  96 -12.285  15.985   8.819
  735    HB2  ARG  96           HB2      ARG  96 -11.660  18.698   7.584
  736    HB3  ARG  96           HB3      ARG  96 -12.882  17.589   6.936
  737    HG2  ARG  96           HG2      ARG  96 -13.999  17.509   9.149
  738    HG3  ARG  96           HG3      ARG  96 -12.845  18.682   9.778
  739    HD2  ARG  96           HD2      ARG  96 -14.693  19.215   7.417
  740    HD3  ARG  96           HD3      ARG  96 -15.131  19.545   9.096
  741    HE   ARG  96           HE       ARG  96 -13.519  21.153   7.372
  742   HH11  ARG  96          HH11      ARG  96 -13.465  20.290  10.904
  743   HH12  ARG  96          HH12      ARG  96 -13.526  21.983  11.330
  744   HH21  ARG  96          HH21      ARG  96 -13.344  23.348   8.188
  745   HH22  ARG  96          HH22      ARG  96 -13.334  23.587   9.926
  746    H    ILE  97           H        ILE  97  -9.056  16.845   7.421
  747    HA   ILE  97           HA       ILE  97  -9.771  15.071   5.192
  748    HB   ILE  97           HB       ILE  97  -9.041  17.410   4.926
  749   HG12  ILE  97          HG12      ILE  97  -7.364  15.370   3.425
  750   HG13  ILE  97          HG13      ILE  97  -8.976  15.939   2.986
  751   HG21  ILE  97          HG21      ILE  97  -6.950  17.086   6.571
  752   HG22  ILE  97          HG22      ILE  97  -6.148  16.618   5.032
  753   HG23  ILE  97          HG23      ILE  97  -7.016  18.186   5.153
  754   HD11  ILE  97          HD11      ILE  97  -7.673  17.231   1.652
  755   HD12  ILE  97          HD12      ILE  97  -7.880  18.294   3.031
  756   HD13  ILE  97          HD13      ILE  97  -6.356  17.400   2.847
  757    H    ARG  98           H        ARG  98  -8.438  13.573   4.296
  758    HA   ARG  98           HA       ARG  98  -5.940  12.727   5.680
  759    HB2  ARG  98           HB2      ARG  98  -8.124  10.870   4.806
  760    HB3  ARG  98           HB3      ARG  98  -6.429  10.446   5.173
  761    HG2  ARG  98           HG2      ARG  98  -6.709  11.204   7.518
  762    HG3  ARG  98           HG3      ARG  98  -8.419  11.634   7.191
  763    HD2  ARG  98           HD2      ARG  98  -8.911   9.386   6.514
  764    HD3  ARG  98           HD3      ARG  98  -7.183   8.952   6.576
  765    HE   ARG  98           HE       ARG  98  -8.027   9.750   9.169
  766   HH11  ARG  98          HH11      ARG  98  -8.611   7.126   6.814
  767   HH12  ARG  98          HH12      ARG  98  -8.428   5.851   7.992
  768   HH21  ARG  98          HH21      ARG  98  -8.094   8.028  10.766
  769   HH22  ARG  98          HH22      ARG  98  -8.342   6.391  10.262
  770    H    ALA  99           H        ALA  99  -4.558  11.540   4.031
  771    HA   ALA  99           HA       ALA  99  -4.775  12.661   1.374
  772    HB1  ALA  99           HB1      ALA  99  -2.678  11.719   0.999
  773    HB2  ALA  99           HB2      ALA  99  -2.708  12.049   2.754
  774    HB3  ALA  99           HB3      ALA  99  -3.005  10.390   2.223
  775    H    TYR 100           H        TYR 100  -4.406  11.107  -0.558
  776    HA   TYR 100           HA       TYR 100  -6.680   9.380  -0.722
  777    HB2  TYR 100           HB2      TYR 100  -5.095  10.659  -2.548
  778    HB3  TYR 100           HB3      TYR 100  -4.574   9.008  -2.755
  779    HD1  TYR 100           HD1      TYR 100  -7.876  10.794  -2.220
  780    HD2  TYR 100           HD2      TYR 100  -5.695   7.820  -4.469
  781    HE1  TYR 100           HE1      TYR 100  -9.890  10.349  -3.573
  782    HE2  TYR 100           HE2      TYR 100  -7.716   7.382  -5.829
  783    HH   TYR 100           HH       TYR 100 -10.792   9.201  -5.371
  784    H    ASN 101           H        ASN 101  -6.888   7.307  -0.119
  785    HA   ASN 101           HA       ASN 101  -4.953   5.316  -0.750
  786    HB2  ASN 101           HB2      ASN 101  -4.421   4.434   1.466
  787    HB3  ASN 101           HB3      ASN 101  -3.829   6.076   1.313
  788   HD21  ASN 101          HD21      ASN 101  -4.337   7.502   2.926
  789   HD22  ASN 101          HD22      ASN 101  -5.553   7.184   4.141
  790    H    GLU 102           H        GLU 102  -5.670   3.103  -0.022
  791    HA   GLU 102           HA       GLU 102  -8.260   2.726  -0.958
  792    HB2  GLU 102           HB2      GLU 102  -6.429   1.065  -1.074
  793    HB3  GLU 102           HB3      GLU 102  -6.563   0.810   0.669
  794    HG2  GLU 102           HG2      GLU 102  -7.662  -0.976  -0.672
  795    HG3  GLU 102           HG3      GLU 102  -8.739  -0.190   0.467
  796    H    GLU 103           H        GLU 103  -7.149   3.016   2.417
  797    HA   GLU 103           HA       GLU 103  -9.590   1.970   3.585
  798    HB2  GLU 103           HB2      GLU 103  -7.889   1.793   5.033
  799    HB3  GLU 103           HB3      GLU 103  -7.082   3.278   4.551
  800    HG2  GLU 103           HG2      GLU 103  -8.535   4.669   5.779
  801    HG3  GLU 103           HG3      GLU 103  -9.690   3.346   6.096
  802    H    ASN 104           H        ASN 104  -8.541   5.161   2.396
  803    HA   ASN 104           HA       ASN 104 -10.919   6.512   3.562
  804    HB2  ASN 104           HB2      ASN 104  -8.826   7.568   1.739
  805    HB3  ASN 104           HB3      ASN 104 -10.178   8.452   2.499
  806   HD21  ASN 104          HD21      ASN 104  -7.199   8.814   2.806
  807   HD22  ASN 104          HD22      ASN 104  -6.940   8.690   4.522
  808    H    ILE 105           H        ILE 105  -9.943   4.858   0.608
  809    HA   ILE 105           HA       ILE 105 -12.263   5.768  -0.877
  810    HB   ILE 105           HB       ILE 105 -10.039   3.787  -1.126
  811   HG12  ILE 105          HG12      ILE 105  -9.001   5.366  -2.347
  812   HG13  ILE 105          HG13      ILE 105 -10.465   5.728  -3.294
  813   HG21  ILE 105          HG21      ILE 105 -11.791   2.645  -2.141
  814   HG22  ILE 105          HG22      ILE 105 -12.355   4.106  -3.002
  815   HG23  ILE 105          HG23      ILE 105 -10.798   3.315  -3.438
  816   HD11  ILE 105          HD11      ILE 105  -9.552   7.728  -2.305
  817   HD12  ILE 105          HD12      ILE 105 -11.138   7.437  -1.595
  818   HD13  ILE 105          HD13      ILE 105  -9.651   7.059  -0.691
  819    H    ALA 106           H        ALA 106 -11.488   3.088   1.339
  820    HA   ALA 106           HA       ALA 106 -13.908   1.653   0.835
  821    HB1  ALA 106           HB1      ALA 106 -12.220   1.788   3.364
  822    HB2  ALA 106           HB2      ALA 106 -13.363   0.503   2.897
  823    HB3  ALA 106           HB3      ALA 106 -11.868   0.780   1.949
  824    H    MET 107           H        MET 107 -12.963   4.296   3.087
  825    HA   MET 107           HA       MET 107 -15.628   4.675   4.091
  826    HB2  MET 107           HB2      MET 107 -14.713   6.219   5.404
  827    HB3  MET 107           HB3      MET 107 -13.175   5.727   4.736
  828    HG2  MET 107           HG2      MET 107 -13.721   7.648   2.979
  829    HG3  MET 107           HG3      MET 107 -14.827   8.166   4.234
  830    HE1  MET 107           HE1      MET 107 -12.490   9.708   2.910
  831    HE2  MET 107           HE2      MET 107 -13.624  10.345   4.149
  832    HE3  MET 107           HE3      MET 107 -11.858  10.662   4.303
  833    H    LYS 108           H        LYS 108 -13.965   6.184   1.205
  834    HA   LYS 108           HA       LYS 108 -16.080   7.823   0.429
  835    HB2  LYS 108           HB2      LYS 108 -13.866   7.819  -0.768
  836    HB3  LYS 108           HB3      LYS 108 -14.197   6.219  -1.371
  837    HG2  LYS 108           HG2      LYS 108 -14.537   7.669  -3.174
  838    HG3  LYS 108           HG3      LYS 108 -16.055   6.955  -2.741
  839    HD2  LYS 108           HD2      LYS 108 -16.822   9.067  -3.059
  840    HD3  LYS 108           HD3      LYS 108 -16.407   9.261  -1.374
  841    HE2  LYS 108           HE2      LYS 108 -15.533  11.134  -2.527
  842    HE3  LYS 108           HE3      LYS 108 -14.115  10.109  -2.153
  843    HZ1  LYS 108           HZ1      LYS 108 -14.515   9.186  -4.516
  844    HZ2  LYS 108           HZ2      LYS 108 -15.328  10.568  -4.789
  845    HZ3  LYS 108           HZ3      LYS 108 -13.713  10.578  -4.394
  846    H    LYS 109           H        LYS 109 -15.492   4.420  -0.736
  847    HA   LYS 109           HA       LYS 109 -17.862   4.386  -2.276
  848    HB2  LYS 109           HB2      LYS 109 -17.385   2.059  -2.706
  849    HB3  LYS 109           HB3      LYS 109 -15.909   3.012  -2.724
  850    HG2  LYS 109           HG2      LYS 109 -15.698   2.107  -0.248
  851    HG3  LYS 109           HG3      LYS 109 -16.795   0.867  -0.846
  852    HD2  LYS 109           HD2      LYS 109 -15.224   0.629  -2.889
  853    HD3  LYS 109           HD3      LYS 109 -14.078   1.666  -2.017
  854    HE2  LYS 109           HE2      LYS 109 -14.214   0.030  -0.114
  855    HE3  LYS 109           HE3      LYS 109 -15.220  -0.984  -1.167
  856    HZ1  LYS 109           HZ1      LYS 109 -12.938  -1.740  -1.255
  857    HZ2  LYS 109           HZ2      LYS 109 -13.277  -1.083  -2.699
  858    HZ3  LYS 109           HZ3      LYS 109 -12.339  -0.277  -1.612
  859    H    ARG 110           H        ARG 110 -17.312   3.250   1.095
  860    HA   ARG 110           HA       ARG 110 -19.950   2.207   1.475
  861    HB2  ARG 110           HB2      ARG 110 -18.139   1.740   2.994
  862    HB3  ARG 110           HB3      ARG 110 -17.932   3.445   3.407
  863    HG2  ARG 110           HG2      ARG 110 -20.592   2.090   3.926
  864    HG3  ARG 110           HG3      ARG 110 -19.226   1.782   5.004
  865    HD2  ARG 110           HD2      ARG 110 -18.957   4.092   5.544
  866    HD3  ARG 110           HD3      ARG 110 -20.146   4.609   4.370
  867    HE   ARG 110           HE       ARG 110 -20.634   3.379   6.993
  868   HH11  ARG 110          HH11      ARG 110 -22.145   4.373   3.911
  869   HH12  ARG 110          HH12      ARG 110 -23.723   4.546   4.598
  870   HH21  ARG 110          HH21      ARG 110 -22.748   3.532   7.858
  871   HH22  ARG 110          HH22      ARG 110 -24.074   4.025   6.872
  872    H    LEU 111           H        LEU 111 -18.663   5.533   1.705
  873    HA   LEU 111           HA       LEU 111 -21.080   6.723   2.747
  874    HB2  LEU 111           HB2      LEU 111 -18.545   7.662   1.355
  875    HB3  LEU 111           HB3      LEU 111 -19.835   8.776   1.592
  876    HG   LEU 111           HG       LEU 111 -18.478   7.266   3.838
  877   HD11  LEU 111          HD11      LEU 111 -18.151  10.208   3.297
  878   HD12  LEU 111          HD12      LEU 111 -17.036   9.104   4.111
  879   HD13  LEU 111          HD13      LEU 111 -17.178   9.033   2.372
  880   HD21  LEU 111          HD21      LEU 111 -20.618   9.414   3.778
  881   HD22  LEU 111          HD22      LEU 111 -20.667   7.843   4.579
  882   HD23  LEU 111          HD23      LEU 111 -19.620   9.102   5.222
  883    H    ALA 112           H        ALA 112 -19.635   6.697  -0.503
  884    HA   ALA 112           HA       ALA 112 -21.670   8.046  -1.848
  885    HB1  ALA 112           HB1      ALA 112 -19.878   5.830  -2.930
  886    HB2  ALA 112           HB2      ALA 112 -20.766   7.023  -3.901
  887    HB3  ALA 112           HB3      ALA 112 -19.474   7.565  -2.816
  888    H    ASN 113           H        ASN 113 -21.666   4.641  -0.849
  889    HA   ASN 113           HA       ASN 113 -23.984   3.819  -2.302
  890    HB2  ASN 113           HB2      ASN 113 -23.278   1.919  -1.404
  891    HB3  ASN 113           HB3      ASN 113 -22.261   2.733  -0.241
  892   HD21  ASN 113          HD21      ASN 113 -23.089   3.191   1.893
  893   HD22  ASN 113          HD22      ASN 113 -24.493   2.317   2.499
  894    H    LEU 114           H        LEU 114 -23.697   5.976   0.441
  895    HA   LEU 114           HA       LEU 114 -26.543   5.789   1.159
  896    HB2  LEU 114           HB2      LEU 114 -24.894   5.754   2.906
  897    HB3  LEU 114           HB3      LEU 114 -24.183   7.271   2.389
  898    HG   LEU 114           HG       LEU 114 -27.087   7.348   3.101
  899   HD11  LEU 114          HD11      LEU 114 -26.547   7.574   5.502
  900   HD12  LEU 114          HD12      LEU 114 -26.177   5.957   4.896
  901   HD13  LEU 114          HD13      LEU 114 -24.861   7.125   5.172
  902   HD21  LEU 114          HD21      LEU 114 -26.457   9.536   4.037
  903   HD22  LEU 114          HD22      LEU 114 -24.738   9.196   3.774
  904   HD23  LEU 114          HD23      LEU 114 -25.813   9.420   2.392
  905    H    GLU 115           H        GLU 115 -24.518   7.647  -0.943
  906    HA   GLU 115           HA       GLU 115 -25.801  10.175  -0.831
  907    HB2  GLU 115           HB2      GLU 115 -23.604   9.666  -1.964
  908    HB3  GLU 115           HB3      GLU 115 -24.499   8.852  -3.251
  909    HG2  GLU 115           HG2      GLU 115 -25.699  10.983  -3.743
  910    HG3  GLU 115           HG3      GLU 115 -24.783  11.778  -2.461
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   6.691  -0.842  -2.803
    2    H2   MET   1           H2       MET   1   6.562  -1.531  -1.330
    3    H3   MET   1           H3       MET   1   6.142  -2.380  -2.677
    4    HA   MET   1           HA       MET   1   4.353  -0.862  -3.130
    5    HB2  MET   1           HB2      MET   1   2.805  -1.540  -1.428
    6    HB3  MET   1           HB3      MET   1   3.848  -2.894  -1.823
    7    HG2  MET   1           HG2      MET   1   4.146  -1.115   0.640
    8    HG3  MET   1           HG3      MET   1   3.298  -2.644   0.607
    9    HE1  MET   1           HE1      MET   1   6.046  -5.337   0.400
   10    HE2  MET   1           HE2      MET   1   4.332  -4.977   0.704
   11    HE3  MET   1           HE3      MET   1   5.021  -4.737  -0.914
   12    H    VAL   2           H        VAL   2   3.018   0.930  -2.428
   13    HA   VAL   2           HA       VAL   2   4.458   3.112  -1.170
   14    HB   VAL   2           HB       VAL   2   2.256   4.270  -1.327
   15   HG11  VAL   2          HG11      VAL   2   3.928   4.374  -3.141
   16   HG12  VAL   2          HG12      VAL   2   3.201   2.951  -3.915
   17   HG13  VAL   2          HG13      VAL   2   2.273   4.458  -3.767
   18   HG21  VAL   2          HG21      VAL   2   0.717   2.307  -1.164
   19   HG22  VAL   2          HG22      VAL   2   0.401   3.327  -2.572
   20   HG23  VAL   2          HG23      VAL   2   1.242   1.779  -2.779
   21    H    ASP   3           H        ASP   3   3.854   4.135   0.832
   22    HA   ASP   3           HA       ASP   3   1.996   2.805   2.657
   23    HB2  ASP   3           HB2      ASP   3   4.002   1.497   3.163
   24    HB3  ASP   3           HB3      ASP   3   4.961   2.965   3.333
   25    H    LEU   4           H        LEU   4   4.712   5.179   2.537
   26    HA   LEU   4           HA       LEU   4   3.539   6.951   4.387
   27    HB2  LEU   4           HB2      LEU   4   5.298   8.349   4.041
   28    HB3  LEU   4           HB3      LEU   4   5.979   6.766   3.699
   29    HG   LEU   4           HG       LEU   4   5.126   8.847   1.612
   30   HD11  LEU   4          HD11      LEU   4   7.529   9.182   1.276
   31   HD12  LEU   4          HD12      LEU   4   7.072   9.526   2.949
   32   HD13  LEU   4          HD13      LEU   4   7.894   7.999   2.552
   33   HD21  LEU   4          HD21      LEU   4   4.965   6.607   0.627
   34   HD22  LEU   4          HD22      LEU   4   6.392   7.422   0.003
   35   HD23  LEU   4          HD23      LEU   4   6.581   6.183   1.258
   36    H    GLU   5           H        GLU   5   2.503   6.435   1.194
   37    HA   GLU   5           HA       GLU   5   1.568   9.053   0.496
   38    HB2  GLU   5           HB2      GLU   5   0.555   6.267  -0.219
   39    HB3  GLU   5           HB3      GLU   5  -0.016   7.757  -0.973
   40    HG2  GLU   5           HG2      GLU   5   2.854   6.722  -1.090
   41    HG3  GLU   5           HG3      GLU   5   1.647   6.572  -2.361
   42    H    GLN   6           H        GLN   6   0.603   6.893   3.043
   43    HA   GLN   6           HA       GLN   6  -2.088   7.699   3.394
   44    HB2  GLN   6           HB2      GLN   6  -1.068   5.645   4.234
   45    HB3  GLN   6           HB3      GLN   6   0.147   6.580   5.138
   46    HG2  GLN   6           HG2      GLN   6  -1.528   7.433   6.615
   47    HG3  GLN   6           HG3      GLN   6  -2.817   6.643   5.686
   48   HE21  GLN   6          HE21      GLN   6  -0.455   6.233   8.242
   49   HE22  GLN   6          HE22      GLN   6  -0.742   4.536   8.533
   50    H    GLU   7           H        GLU   7   1.030   9.243   4.107
   51    HA   GLU   7           HA       GLU   7  -0.015  11.139   6.072
   52    HB2  GLU   7           HB2      GLU   7   2.415  11.318   4.205
   53    HB3  GLU   7           HB3      GLU   7   2.028  12.401   5.538
   54    HG2  GLU   7           HG2      GLU   7   2.143  10.428   7.117
   55    HG3  GLU   7           HG3      GLU   7   2.837   9.478   5.785
   56    H    PHE   8           H        PHE   8  -0.271  13.392   5.497
   57    HA   PHE   8           HA       PHE   8  -1.735  13.968   3.045
   58    HB2  PHE   8           HB2      PHE   8  -1.379  16.303   3.671
   59    HB3  PHE   8           HB3      PHE   8  -1.938  15.420   5.070
   60    HD1  PHE   8           HD1      PHE   8  -0.255  14.890   6.968
   61    HD2  PHE   8           HD2      PHE   8   0.875  17.194   3.497
   62    HE1  PHE   8           HE1      PHE   8   1.749  15.707   8.160
   63    HE2  PHE   8           HE2      PHE   8   2.883  18.015   4.703
   64    HZ   PHE   8           HZ       PHE   8   3.329  17.266   7.033
   65    H    ALA   9           H        ALA   9  -0.838  14.766   1.119
   66    HA   ALA   9           HA       ALA   9   2.169  14.997   1.065
   67    HB1  ALA   9           HB1      ALA   9   1.459  12.804   0.457
   68    HB2  ALA   9           HB2      ALA   9   0.207  13.450  -0.624
   69    HB3  ALA   9           HB3      ALA   9   1.937  13.659  -1.052
   70    H    LEU  10           H        LEU  10   3.041  16.076  -0.791
   71    HA   LEU  10           HA       LEU  10   1.500  18.489  -1.450
   72    HB2  LEU  10           HB2      LEU  10   4.277  17.663  -2.371
   73    HB3  LEU  10           HB3      LEU  10   3.411  19.149  -2.754
   74    HG   LEU  10           HG       LEU  10   4.632  18.304  -0.134
   75   HD11  LEU  10          HD11      LEU  10   5.885  19.676  -1.858
   76   HD12  LEU  10          HD12      LEU  10   4.665  20.945  -1.672
   77   HD13  LEU  10          HD13      LEU  10   5.692  20.502  -0.295
   78   HD21  LEU  10          HD21      LEU  10   2.496  20.447  -0.483
   79   HD22  LEU  10          HD22      LEU  10   2.360  18.980   0.516
   80   HD23  LEU  10          HD23      LEU  10   3.524  20.235   0.966
   81    H    GLY  11           H        GLY  11  -0.164  17.599  -2.373
   82    HA2  GLY  11           HA2      GLY  11  -1.296  17.452  -4.475
   83    HA3  GLY  11           HA3      GLY  11   0.131  16.657  -5.200
   84    H    GLY  12           H        GLY  12  -0.879  15.883  -1.871
   85    HA2  GLY  12           HA2      GLY  12  -1.582  13.168  -2.515
   86    HA3  GLY  12           HA3      GLY  12  -1.846  14.049  -0.974
   87    H    ARG  13           H        ARG  13  -3.643  12.564  -2.746
   88    HA   ARG  13           HA       ARG  13  -5.655  14.595  -3.574
   89    HB2  ARG  13           HB2      ARG  13  -5.107  12.419  -4.986
   90    HB3  ARG  13           HB3      ARG  13  -5.959  11.594  -3.676
   91    HG2  ARG  13           HG2      ARG  13  -7.987  12.893  -4.122
   92    HG3  ARG  13           HG3      ARG  13  -7.128  13.766  -5.434
   93    HD2  ARG  13           HD2      ARG  13  -6.702  11.639  -6.595
   94    HD3  ARG  13           HD3      ARG  13  -7.343  10.744  -5.237
   95    HE   ARG  13           HE       ARG  13  -9.580  11.416  -5.775
   96   HH11  ARG  13          HH11      ARG  13  -7.275  12.426  -8.304
   97   HH12  ARG  13          HH12      ARG  13  -8.510  12.621  -9.499
   98   HH21  ARG  13          HH21      ARG  13 -11.105  11.590  -7.265
   99   HH22  ARG  13          HH22      ARG  13 -10.794  12.118  -8.909
  100    H    CYS  14           H        CYS  14  -7.596  14.417  -2.185
  101    HA   CYS  14           HA       CYS  14  -7.063  13.032   0.404
  102    HB2  CYS  14           HB2      CYS  14  -7.240  15.967  -0.185
  103    HB3  CYS  14           HB3      CYS  14  -8.119  15.339   1.232
  104    HG   CYS  14           HG       CYS  14  -5.035  14.618   0.439
  105    H    LEU  15           H        LEU  15  -8.905  13.342   1.814
  106    HA   LEU  15           HA       LEU  15 -11.562  13.461   0.480
  107    HB2  LEU  15           HB2      LEU  15 -10.648  11.486   2.645
  108    HB3  LEU  15           HB3      LEU  15 -12.270  11.711   2.054
  109    HG   LEU  15           HG       LEU  15 -11.600   9.788   1.113
  110   HD11  LEU  15          HD11      LEU  15 -12.388  11.643  -0.593
  111   HD12  LEU  15          HD12      LEU  15 -10.796  11.390  -1.290
  112   HD13  LEU  15          HD13      LEU  15 -11.908  10.025  -1.156
  113   HD21  LEU  15          HD21      LEU  15  -8.978  10.823  -0.004
  114   HD22  LEU  15          HD22      LEU  15  -9.118  10.125   1.620
  115   HD23  LEU  15          HD23      LEU  15  -9.527   9.151   0.202
  116    H    ALA  16           H        ALA  16 -12.838  14.802   1.690
  117    HA   ALA  16           HA       ALA  16 -11.943  15.420   4.432
  118    HB1  ALA  16           HB1      ALA  16 -10.957  17.282   3.317
  119    HB2  ALA  16           HB2      ALA  16 -12.404  17.541   2.310
  120    HB3  ALA  16           HB3      ALA  16 -12.429  17.880   4.064
  121    H    PHE  17           H        PHE  17 -13.373  15.306   5.811
  122    HA   PHE  17           HA       PHE  17 -15.992  14.302   5.007
  123    HB2  PHE  17           HB2      PHE  17 -14.111  13.843   7.133
  124    HB3  PHE  17           HB3      PHE  17 -15.606  14.386   7.869
  125    HD1  PHE  17           HD1      PHE  17 -17.816  13.110   6.661
  126    HD2  PHE  17           HD2      PHE  17 -13.783  11.593   7.026
  127    HE1  PHE  17           HE1      PHE  17 -18.664  10.810   6.674
  128    HE2  PHE  17           HE2      PHE  17 -14.689   9.277   7.034
  129    HZ   PHE  17           HZ       PHE  17 -17.113   8.891   6.923
  130    H    HIS  18           H        HIS  18 -17.944  15.076   5.930
  131    HA   HIS  18           HA       HIS  18 -17.951  17.858   7.041
  132    HB2  HIS  18           HB2      HIS  18 -19.729  16.675   4.860
  133    HB3  HIS  18           HB3      HIS  18 -20.158  18.101   5.798
  134    HD2  HIS  18           HD2      HIS  18 -17.472  16.950   3.221
  135    HE1  HIS  18           HE1      HIS  18 -17.547  21.204   3.196
  136    HE2  HIS  18           HE2      HIS  18 -16.585  19.141   2.083
  137    H    GLY  19           H        GLY  19 -19.846  14.793   6.622
  138    HA2  GLY  19           HA2      GLY  19 -20.351  14.146   9.211
  139    HA3  GLY  19           HA3      GLY  19 -21.530  15.447   8.937
  140    HA   PRO  20           HA       PRO  20 -24.187  12.588   6.794
  141    HB2  PRO  20           HB2      PRO  20 -24.954  13.860   4.458
  142    HB3  PRO  20           HB3      PRO  20 -25.620  14.220   6.082
  143    HG2  PRO  20           HG2      PRO  20 -23.452  15.686   4.562
  144    HG3  PRO  20           HG3      PRO  20 -24.809  16.375   5.507
  145    HD2  PRO  20           HD2      PRO  20 -22.290  16.192   6.527
  146    HD3  PRO  20           HD3      PRO  20 -23.725  15.942   7.557
  147    H    LEU  21           H        LEU  21 -21.678  14.131   4.719
  148    HA   LEU  21           HA       LEU  21 -20.774  11.493   3.958
  149    HB2  LEU  21           HB2      LEU  21 -22.417  12.991   2.155
  150    HB3  LEU  21           HB3      LEU  21 -20.800  13.249   1.575
  151    HG   LEU  21           HG       LEU  21 -21.067  10.465   2.254
  152   HD11  LEU  21          HD11      LEU  21 -23.323  11.376   0.500
  153   HD12  LEU  21          HD12      LEU  21 -22.870   9.689   0.904
  154   HD13  LEU  21          HD13      LEU  21 -23.427  10.766   2.181
  155   HD21  LEU  21          HD21      LEU  21 -20.753  10.122  -0.258
  156   HD22  LEU  21          HD22      LEU  21 -20.734  11.892  -0.394
  157   HD23  LEU  21          HD23      LEU  21 -19.490  11.039   0.551
  158    H    MET  22           H        MET  22 -18.870  12.014   2.210
  159    HA   MET  22           HA       MET  22 -17.139  14.162   3.263
  160    HB2  MET  22           HB2      MET  22 -16.223  12.101   4.130
  161    HB3  MET  22           HB3      MET  22 -16.606  11.228   2.655
  162    HG2  MET  22           HG2      MET  22 -14.520  13.399   2.728
  163    HG3  MET  22           HG3      MET  22 -14.214  11.713   3.037
  164    HE1  MET  22           HE1      MET  22 -14.121   9.873   1.567
  165    HE2  MET  22           HE2      MET  22 -15.792  10.034   0.920
  166    HE3  MET  22           HE3      MET  22 -14.377   9.924  -0.177
  167    H    TYR  23           H        TYR  23 -15.679  14.849   1.488
  168    HA   TYR  23           HA       TYR  23 -16.586  14.133  -1.205
  169    HB2  TYR  23           HB2      TYR  23 -16.472  17.021  -0.310
  170    HB3  TYR  23           HB3      TYR  23 -16.752  16.450  -1.954
  171    HD1  TYR  23           HD1      TYR  23 -18.731  14.466  -1.976
  172    HD2  TYR  23           HD2      TYR  23 -18.440  17.773   0.783
  173    HE1  TYR  23           HE1      TYR  23 -21.076  14.107  -1.301
  174    HE2  TYR  23           HE2      TYR  23 -20.808  17.457   1.412
  175    HH   TYR  23           HH       TYR  23 -22.767  14.726   0.090
  176    H    GLU  24           H        GLU  24 -14.971  14.429  -2.743
  177    HA   GLU  24           HA       GLU  24 -12.371  13.822  -1.633
  178    HB2  GLU  24           HB2      GLU  24 -13.657  13.952  -4.344
  179    HB3  GLU  24           HB3      GLU  24 -11.915  14.266  -4.313
  180    HG2  GLU  24           HG2      GLU  24 -11.399  12.230  -3.287
  181    HG3  GLU  24           HG3      GLU  24 -13.097  11.884  -2.879
  182    H    ALA  25           H        ALA  25 -10.459  14.897  -1.959
  183    HA   ALA  25           HA       ALA  25 -10.652  17.795  -2.127
  184    HB1  ALA  25           HB1      ALA  25  -9.075  17.755  -0.001
  185    HB2  ALA  25           HB2      ALA  25 -10.823  17.512   0.197
  186    HB3  ALA  25           HB3      ALA  25  -9.757  16.139   0.237
  187    H    LYS  26           H        LYS  26  -8.304  18.680  -2.492
  188    HA   LYS  26           HA       LYS  26  -6.345  16.679  -3.409
  189    HB2  LYS  26           HB2      LYS  26  -7.996  17.154  -5.339
  190    HB3  LYS  26           HB3      LYS  26  -7.436  18.810  -5.290
  191    HG2  LYS  26           HG2      LYS  26  -5.025  17.668  -5.507
  192    HG3  LYS  26           HG3      LYS  26  -5.971  16.255  -6.023
  193    HD2  LYS  26           HD2      LYS  26  -5.211  17.532  -7.950
  194    HD3  LYS  26           HD3      LYS  26  -6.982  17.622  -7.836
  195    HE2  LYS  26           HE2      LYS  26  -6.909  19.877  -6.998
  196    HE3  LYS  26           HE3      LYS  26  -5.197  19.755  -6.583
  197    HZ1  LYS  26           HZ1      LYS  26  -5.573  21.042  -8.614
  198    HZ2  LYS  26           HZ2      LYS  26  -4.612  19.762  -8.847
  199    HZ3  LYS  26           HZ3      LYS  26  -6.186  19.713  -9.375
  200    H    ILE  27           H        ILE  27  -4.668  17.407  -2.220
  201    HA   ILE  27           HA       ILE  27  -4.629  20.009  -1.046
  202    HB   ILE  27           HB       ILE  27  -2.575  17.764  -1.159
  203   HG12  ILE  27          HG12      ILE  27  -4.448  18.388   1.136
  204   HG13  ILE  27          HG13      ILE  27  -4.848  17.211  -0.085
  205   HG21  ILE  27          HG21      ILE  27  -2.758  20.256   0.597
  206   HG22  ILE  27          HG22      ILE  27  -1.707  18.891   0.986
  207   HG23  ILE  27          HG23      ILE  27  -1.437  19.786  -0.497
  208   HD11  ILE  27          HD11      ILE  27  -3.799  16.487   2.156
  209   HD12  ILE  27          HD12      ILE  27  -3.235  15.669   0.603
  210   HD13  ILE  27          HD13      ILE  27  -2.232  16.872   1.409
  211    H    LEU  28           H        LEU  28  -3.580  21.867  -1.682
  212    HA   LEU  28           HA       LEU  28  -1.221  21.667  -3.489
  213    HB2  LEU  28           HB2      LEU  28  -3.222  22.287  -4.710
  214    HB3  LEU  28           HB3      LEU  28  -3.704  23.458  -3.502
  215    HG   LEU  28           HG       LEU  28  -1.208  23.841  -5.210
  216   HD11  LEU  28          HD11      LEU  28  -3.171  23.489  -6.623
  217   HD12  LEU  28          HD12      LEU  28  -4.134  24.585  -5.613
  218   HD13  LEU  28          HD13      LEU  28  -2.807  25.222  -6.619
  219   HD21  LEU  28          HD21      LEU  28  -1.717  26.286  -4.816
  220   HD22  LEU  28          HD22      LEU  28  -2.980  25.835  -3.661
  221   HD23  LEU  28          HD23      LEU  28  -1.276  25.456  -3.345
  222    H    LYS  29           H        LYS  29  -2.954  24.046  -1.379
  223    HA   LYS  29           HA       LYS  29  -0.248  25.135  -0.785
  224    HB2  LYS  29           HB2      LYS  29  -2.523  26.464  -1.530
  225    HB3  LYS  29           HB3      LYS  29  -2.692  26.554   0.216
  226    HG2  LYS  29           HG2      LYS  29  -0.852  27.886   0.509
  227    HG3  LYS  29           HG3      LYS  29  -0.030  27.271  -0.920
  228    HD2  LYS  29           HD2      LYS  29  -0.676  29.569  -1.297
  229    HD3  LYS  29           HD3      LYS  29  -1.519  28.484  -2.417
  230    HE2  LYS  29           HE2      LYS  29  -3.527  28.538  -0.941
  231    HE3  LYS  29           HE3      LYS  29  -2.637  29.612   0.179
  232    HZ1  LYS  29           HZ1      LYS  29  -3.959  31.025  -1.190
  233    HZ2  LYS  29           HZ2      LYS  29  -2.449  31.196  -1.720
  234    HZ3  LYS  29           HZ3      LYS  29  -3.503  30.274  -2.573
  235    H    ILE  30           H        ILE  30   0.616  24.735   1.280
  236    HA   ILE  30           HA       ILE  30  -1.278  23.408   3.149
  237    HB   ILE  30           HB       ILE  30  -0.008  21.633   3.592
  238   HG12  ILE  30          HG12      ILE  30   2.230  22.514   3.811
  239   HG13  ILE  30          HG13      ILE  30   2.199  21.043   2.840
  240   HG21  ILE  30          HG21      ILE  30   0.128  20.428   1.509
  241   HG22  ILE  30          HG22      ILE  30  -1.178  21.640   1.361
  242   HG23  ILE  30          HG23      ILE  30   0.323  21.907   0.560
  243   HD11  ILE  30          HD11      ILE  30   3.682  22.691   1.845
  244   HD12  ILE  30          HD12      ILE  30   2.300  22.437   0.755
  245   HD13  ILE  30          HD13      ILE  30   2.354  23.870   1.796
  246    H    TRP  31           H        TRP  31  -0.893  23.585   5.164
  247    HA   TRP  31           HA       TRP  31   0.757  25.966   6.002
  248    HB2  TRP  31           HB2      TRP  31  -1.305  26.946   5.686
  249    HB3  TRP  31           HB3      TRP  31  -2.192  25.513   6.110
  250    HD1  TRP  31           HD1      TRP  31  -2.187  24.943   8.911
  251    HE1  TRP  31           HE1      TRP  31  -2.618  26.600  10.814
  252    HE3  TRP  31           HE3      TRP  31  -1.004  29.310   6.504
  253    HZ2  TRP  31           HZ2      TRP  31  -2.459  29.389  11.255
  254    HZ3  TRP  31           HZ3      TRP  31  -1.265  31.470   7.696
  255    HH2  TRP  31           HH2      TRP  31  -2.063  31.523  10.056
  256    H    ASP  32           H        ASP  32   1.235  26.214   8.164
  257    HA   ASP  32           HA       ASP  32   1.263  23.834   9.846
  258    HB2  ASP  32           HB2      ASP  32   3.212  23.727   8.243
  259    HB3  ASP  32           HB3      ASP  32   3.784  25.266   8.888
  260    HA   PRO  33           HA       PRO  33   0.600  27.571  12.314
  261    HB2  PRO  33           HB2      PRO  33   0.458  26.326  14.835
  262    HB3  PRO  33           HB3      PRO  33  -0.872  26.544  13.674
  263    HG2  PRO  33           HG2      PRO  33   0.961  24.157  14.035
  264    HG3  PRO  33           HG3      PRO  33  -0.826  24.159  13.808
  265    HD2  PRO  33           HD2      PRO  33   0.875  23.577  11.841
  266    HD3  PRO  33           HD3      PRO  33  -0.599  24.550  11.518
  267    H    SER  34           H        SER  34   3.477  25.707  12.358
  268    HA   SER  34           HA       SER  34   4.767  26.755  14.687
  269    HB2  SER  34           HB2      SER  34   6.075  25.906  12.078
  270    HB3  SER  34           HB3      SER  34   6.837  26.023  13.677
  271    HG   SER  34           HG       SER  34   4.870  24.223  12.724
  272    H    SER  35           H        SER  35   4.268  28.116  11.448
  273    HA   SER  35           HA       SER  35   5.435  30.693  12.406
  274    HB2  SER  35           HB2      SER  35   5.857  31.102   9.950
  275    HB3  SER  35           HB3      SER  35   6.841  29.832  10.690
  276    HG   SER  35           HG       SER  35   6.028  29.094   8.723
  277    H    LYS  36           H        LYS  36   2.585  29.059  11.555
  278    HA   LYS  36           HA       LYS  36   0.573  29.582  10.766
  279    HB2  LYS  36           HB2      LYS  36   1.086  32.061  12.428
  280    HB3  LYS  36           HB3      LYS  36  -0.430  31.835  11.594
  281    HG2  LYS  36           HG2      LYS  36  -1.138  30.038  12.843
  282    HG3  LYS  36           HG3      LYS  36   0.488  29.524  13.260
  283    HD2  LYS  36           HD2      LYS  36  -0.715  32.075  14.355
  284    HD3  LYS  36           HD3      LYS  36  -0.816  30.528  15.202
  285    HE2  LYS  36           HE2      LYS  36   1.868  31.445  14.170
  286    HE3  LYS  36           HE3      LYS  36   1.217  32.241  15.623
  287    HZ1  LYS  36           HZ1      LYS  36   1.800  29.354  15.304
  288    HZ2  LYS  36           HZ2      LYS  36   2.596  30.418  16.250
  289    HZ3  LYS  36           HZ3      LYS  36   1.063  30.003  16.625
  290    H    MET  37           H        MET  37   2.255  29.650   8.869
  291    HA   MET  37           HA       MET  37   1.056  31.504   7.001
  292    HB2  MET  37           HB2      MET  37   4.062  31.173   7.286
  293    HB3  MET  37           HB3      MET  37   3.253  31.927   5.901
  294    HG2  MET  37           HG2      MET  37   2.228  33.603   7.512
  295    HG3  MET  37           HG3      MET  37   3.248  32.923   8.774
  296    HE1  MET  37           HE1      MET  37   5.551  32.505   6.143
  297    HE2  MET  37           HE2      MET  37   6.747  33.677   6.709
  298    HE3  MET  37           HE3      MET  37   5.992  32.486   7.847
  299    H    TYR  38           H        TYR  38   1.787  30.598   4.750
  300    HA   TYR  38           HA       TYR  38   1.310  27.669   4.902
  301    HB2  TYR  38           HB2      TYR  38   0.011  27.977   2.898
  302    HB3  TYR  38           HB3      TYR  38  -0.520  29.045   4.203
  303    HD1  TYR  38           HD1      TYR  38   1.228  29.025   0.900
  304    HD2  TYR  38           HD2      TYR  38  -0.267  31.320   4.197
  305    HE1  TYR  38           HE1      TYR  38   1.414  31.068  -0.484
  306    HE2  TYR  38           HE2      TYR  38   0.120  33.410   2.899
  307    HH   TYR  38           HH       TYR  38   0.747  34.342   0.942
  308    H    THR  39           H        THR  39   1.682  27.149   2.137
  309    HA   THR  39           HA       THR  39   4.271  27.711   1.153
  310    HB   THR  39           HB       THR  39   4.579  24.940   1.600
  311    HG1  THR  39           HG1      THR  39   3.061  25.364   3.458
  312   HG21  THR  39          HG21      THR  39   6.428  26.369   1.443
  313   HG22  THR  39          HG22      THR  39   5.895  27.372   2.803
  314   HG23  THR  39          HG23      THR  39   6.497  25.712   3.089
  315    H    SER  40           H        SER  40   4.533  26.334  -0.876
  316    HA   SER  40           HA       SER  40   2.284  24.613  -1.683
  317    HB2  SER  40           HB2      SER  40   1.668  27.179  -2.033
  318    HB3  SER  40           HB3      SER  40   2.773  26.977  -3.397
  319    HG   SER  40           HG       SER  40   0.649  26.515  -4.011
  320    H    ILE  41           H        ILE  41   2.663  23.859  -3.917
  321    HA   ILE  41           HA       ILE  41   5.298  24.479  -5.064
  322    HB   ILE  41           HB       ILE  41   5.511  22.045  -5.749
  323   HG12  ILE  41          HG12      ILE  41   4.576  20.328  -4.356
  324   HG13  ILE  41          HG13      ILE  41   3.558  21.490  -3.487
  325   HG21  ILE  41          HG21      ILE  41   5.733  22.686  -2.798
  326   HG22  ILE  41          HG22      ILE  41   6.617  21.431  -3.693
  327   HG23  ILE  41          HG23      ILE  41   6.902  23.138  -4.054
  328   HD11  ILE  41          HD11      ILE  41   2.061  21.685  -5.246
  329   HD12  ILE  41          HD12      ILE  41   3.271  21.210  -6.463
  330   HD13  ILE  41          HD13      ILE  41   2.549  19.992  -5.380
  331    HA   PRO  42           HA       PRO  42   2.844  25.174  -8.719
  332    HB2  PRO  42           HB2      PRO  42   4.748  25.089 -10.681
  333    HB3  PRO  42           HB3      PRO  42   4.689  26.389  -9.464
  334    HG2  PRO  42           HG2      PRO  42   6.266  23.752  -9.322
  335    HG3  PRO  42           HG3      PRO  42   6.958  25.386  -9.201
  336    HD2  PRO  42           HD2      PRO  42   6.331  24.078  -6.945
  337    HD3  PRO  42           HD3      PRO  42   5.702  25.772  -7.069
  338    H    ASN  43           H        ASN  43   4.250  22.094  -8.094
  339    HA   ASN  43           HA       ASN  43   3.824  20.835 -10.622
  340    HB2  ASN  43           HB2      ASN  43   5.386  20.057  -8.808
  341    HB3  ASN  43           HB3      ASN  43   3.986  19.560  -7.861
  342   HD21  ASN  43          HD21      ASN  43   5.349  19.094 -11.212
  343   HD22  ASN  43          HD22      ASN  43   4.929  17.405 -11.295
  344    H    ASP  44           H        ASP  44   1.450  22.154  -8.759
  345    HA   ASP  44           HA       ASP  44  -0.589  20.359  -9.875
  346    HB2  ASP  44           HB2      ASP  44  -0.287  19.608  -7.527
  347    HB3  ASP  44           HB3      ASP  44  -0.578  21.258  -6.968
  348    H    LYS  45           H        LYS  45  -2.767  21.476  -9.713
  349    HA   LYS  45           HA       LYS  45  -2.452  24.369 -10.365
  350    HB2  LYS  45           HB2      LYS  45  -2.516  22.997 -12.393
  351    HB3  LYS  45           HB3      LYS  45  -3.942  22.132 -11.803
  352    HG2  LYS  45           HG2      LYS  45  -5.219  24.271 -11.857
  353    HG3  LYS  45           HG3      LYS  45  -3.807  25.077 -12.550
  354    HD2  LYS  45           HD2      LYS  45  -3.947  23.454 -14.481
  355    HD3  LYS  45           HD3      LYS  45  -5.407  22.768 -13.753
  356    HE2  LYS  45           HE2      LYS  45  -5.006  25.579 -14.851
  357    HE3  LYS  45           HE3      LYS  45  -6.065  24.315 -15.491
  358    HZ1  LYS  45           HZ1      LYS  45  -6.407  25.811 -12.957
  359    HZ2  LYS  45           HZ2      LYS  45  -7.358  25.895 -14.282
  360    HZ3  LYS  45           HZ3      LYS  45  -7.355  24.528 -13.388
  361    HA   PRO  46           HA       PRO  46  -6.039  24.504  -7.577
  362    HB2  PRO  46           HB2      PRO  46  -6.566  27.159  -7.590
  363    HB3  PRO  46           HB3      PRO  46  -5.134  26.487  -6.736
  364    HG2  PRO  46           HG2      PRO  46  -5.265  27.753  -9.479
  365    HG3  PRO  46           HG3      PRO  46  -4.051  28.044  -8.191
  366    HD2  PRO  46           HD2      PRO  46  -3.658  26.338 -10.332
  367    HD3  PRO  46           HD3      PRO  46  -2.899  26.074  -8.730
  368    H    GLY  47           H        GLY  47  -8.254  25.374  -7.673
  369    HA2  GLY  47           HA2      GLY  47  -9.666  24.829 -10.057
  370    HA3  GLY  47           HA3      GLY  47 -10.237  25.650  -8.582
  371    H    GLY  48           H        GLY  48  -8.176  27.860  -8.947
  372    HA2  GLY  48           HA2      GLY  48  -9.872  29.458 -10.816
  373    HA3  GLY  48           HA3      GLY  48  -9.123  30.016  -9.329
  374    H    SER  49           H        SER  49  -6.719  28.241 -10.954
  375    HA   SER  49           HA       SER  49  -5.807  30.539 -12.575
  376    HB2  SER  49           HB2      SER  49  -3.983  29.353 -10.455
  377    HB3  SER  49           HB3      SER  49  -3.730  30.787 -11.449
  378    HG   SER  49           HG       SER  49  -4.335  31.344  -9.324
  379    H    SER  50           H        SER  50  -3.897  29.980 -13.892
  380    HA   SER  50           HA       SER  50  -4.261  27.577 -15.261
  381    HB2  SER  50           HB2      SER  50  -1.774  29.334 -15.279
  382    HB3  SER  50           HB3      SER  50  -2.399  28.331 -16.597
  383    HG   SER  50           HG       SER  50  -2.952  30.545 -16.864
  384    H    GLN  51           H        GLN  51  -2.014  28.310 -12.567
  385    HA   GLN  51           HA       GLN  51  -1.584  25.620 -11.932
  386    HB2  GLN  51           HB2      GLN  51   0.242  26.592 -13.913
  387    HB3  GLN  51           HB3      GLN  51   1.123  26.727 -12.391
  388    HG2  GLN  51           HG2      GLN  51   0.788  24.405 -11.881
  389    HG3  GLN  51           HG3      GLN  51  -0.322  24.188 -13.239
  390   HE21  GLN  51          HE21      GLN  51   2.808  23.540 -12.352
  391   HE22  GLN  51          HE22      GLN  51   3.559  23.513 -13.946
  392    H    ALA  52           H        ALA  52  -0.199  25.631  -9.935
  393    HA   ALA  52           HA       ALA  52  -0.541  28.018  -8.276
  394    HB1  ALA  52           HB1      ALA  52   0.878  25.349  -7.912
  395    HB2  ALA  52           HB2      ALA  52   0.972  26.655  -6.702
  396    HB3  ALA  52           HB3      ALA  52  -0.598  25.910  -7.110
  397    H    THR  53           H        THR  53   1.244  29.286  -7.548
  398    HA   THR  53           HA       THR  53   3.240  29.897  -9.487
  399    HB   THR  53           HB       THR  53   3.157  30.652  -6.535
  400    HG1  THR  53           HG1      THR  53   1.843  31.854  -8.753
  401   HG21  THR  53          HG21      THR  53   5.218  31.349  -7.506
  402   HG22  THR  53          HG22      THR  53   4.436  31.907  -8.995
  403   HG23  THR  53          HG23      THR  53   4.202  32.790  -7.456
  404    H    LYS  54           H        LYS  54   5.523  29.770  -9.181
  405    HA   LYS  54           HA       LYS  54   6.617  27.273  -8.536
  406    HB2  LYS  54           HB2      LYS  54   7.942  29.989  -8.670
  407    HB3  LYS  54           HB3      LYS  54   8.812  28.461  -8.438
  408    HG2  LYS  54           HG2      LYS  54   7.812  27.566 -10.545
  409    HG3  LYS  54           HG3      LYS  54   7.056  29.134 -10.854
  410    HD2  LYS  54           HD2      LYS  54  10.057  28.621 -10.639
  411    HD3  LYS  54           HD3      LYS  54   9.145  28.789 -12.147
  412    HE2  LYS  54           HE2      LYS  54   8.489  31.101 -11.491
  413    HE3  LYS  54           HE3      LYS  54   9.449  30.954 -10.010
  414    HZ1  LYS  54           HZ1      LYS  54  10.671  32.086 -11.748
  415    HZ2  LYS  54           HZ2      LYS  54  11.412  30.672 -11.403
  416    HZ3  LYS  54           HZ3      LYS  54  10.523  30.820 -12.771
  417    H    GLU  55           H        GLU  55   8.062  26.652  -6.935
  418    HA   GLU  55           HA       GLU  55   7.089  26.084  -4.661
  419    HB2  GLU  55           HB2      GLU  55  10.004  26.867  -4.971
  420    HB3  GLU  55           HB3      GLU  55   9.340  25.888  -3.647
  421    HG2  GLU  55           HG2      GLU  55   8.576  24.190  -5.302
  422    HG3  GLU  55           HG3      GLU  55   9.267  25.146  -6.609
  423    H    ILE  56           H        ILE  56   5.799  27.282  -3.471
  424    HA   ILE  56           HA       ILE  56   6.367  30.095  -3.116
  425    HB   ILE  56           HB       ILE  56   4.030  28.567  -1.940
  426   HG12  ILE  56          HG12      ILE  56   4.258  30.053  -4.605
  427   HG13  ILE  56          HG13      ILE  56   4.129  28.307  -4.425
  428   HG21  ILE  56          HG21      ILE  56   4.339  30.745  -0.891
  429   HG22  ILE  56          HG22      ILE  56   4.583  31.528  -2.469
  430   HG23  ILE  56          HG23      ILE  56   3.002  30.896  -2.008
  431   HD11  ILE  56          HD11      ILE  56   1.891  29.051  -3.041
  432   HD12  ILE  56          HD12      ILE  56   2.014  30.369  -4.210
  433   HD13  ILE  56          HD13      ILE  56   1.982  28.674  -4.797
  434    H    LYS  57           H        LYS  57   7.171  31.043  -1.342
  435    HA   LYS  57           HA       LYS  57   8.361  29.385   0.801
  436    HB2  LYS  57           HB2      LYS  57   8.497  32.342   0.024
  437    HB3  LYS  57           HB3      LYS  57   9.133  31.745   1.548
  438    HG2  LYS  57           HG2      LYS  57  10.916  32.012  -0.111
  439    HG3  LYS  57           HG3      LYS  57  10.765  30.330   0.416
  440    HD2  LYS  57           HD2      LYS  57   9.630  29.721  -1.621
  441    HD3  LYS  57           HD3      LYS  57   9.547  31.421  -2.150
  442    HE2  LYS  57           HE2      LYS  57  12.048  31.425  -2.284
  443    HE3  LYS  57           HE3      LYS  57  12.047  29.717  -1.796
  444    HZ1  LYS  57           HZ1      LYS  57  12.120  29.775  -4.151
  445    HZ2  LYS  57           HZ2      LYS  57  10.566  29.346  -3.784
  446    HZ3  LYS  57           HZ3      LYS  57  10.909  30.865  -4.267
  447    HA   PRO  58           HA       PRO  58   5.004  30.510   3.526
  448    HB2  PRO  58           HB2      PRO  58   7.134  31.090   5.591
  449    HB3  PRO  58           HB3      PRO  58   5.660  30.071   5.766
  450    HG2  PRO  58           HG2      PRO  58   8.134  28.983   5.517
  451    HG3  PRO  58           HG3      PRO  58   6.727  28.261   4.672
  452    HD2  PRO  58           HD2      PRO  58   8.812  30.179   3.586
  453    HD3  PRO  58           HD3      PRO  58   8.142  28.676   2.844
  454    H    GLN  59           H        GLN  59   3.995  32.376   3.431
  455    HA   GLN  59           HA       GLN  59   5.381  34.925   4.027
  456    HB2  GLN  59           HB2      GLN  59   3.807  34.289   1.479
  457    HB3  GLN  59           HB3      GLN  59   4.142  35.927   2.033
  458    HG2  GLN  59           HG2      GLN  59   6.321  33.915   1.320
  459    HG3  GLN  59           HG3      GLN  59   5.649  35.102   0.219
  460   HE21  GLN  59          HE21      GLN  59   7.642  34.672   3.135
  461   HE22  GLN  59          HE22      GLN  59   8.350  36.281   3.098
  462    H    LYS  60           H        LYS  60   3.983  36.501   4.738
  463    HA   LYS  60           HA       LYS  60   1.622  35.917   6.114
  464    HB2  LYS  60           HB2      LYS  60   2.459  38.492   4.705
  465    HB3  LYS  60           HB3      LYS  60   1.059  38.361   5.780
  466    HG2  LYS  60           HG2      LYS  60   2.531  37.662   7.647
  467    HG3  LYS  60           HG3      LYS  60   3.938  37.724   6.590
  468    HD2  LYS  60           HD2      LYS  60   3.912  39.709   7.934
  469    HD3  LYS  60           HD3      LYS  60   3.594  40.159   6.252
  470    HE2  LYS  60           HE2      LYS  60   1.173  40.316   6.738
  471    HE3  LYS  60           HE3      LYS  60   1.462  39.823   8.414
  472    HZ1  LYS  60           HZ1      LYS  60   2.777  41.838   8.710
  473    HZ2  LYS  60           HZ2      LYS  60   2.501  42.300   7.161
  474    HZ3  LYS  60           HZ3      LYS  60   1.269  42.209   8.227
  475    H    LEU  61           H        LEU  61  -0.567  35.936   5.600
  476    HA   LEU  61           HA       LEU  61  -1.130  35.366   2.740
  477    HB2  LEU  61           HB2      LEU  61  -2.175  33.486   3.340
  478    HB3  LEU  61           HB3      LEU  61  -1.036  33.542   4.653
  479    HG   LEU  61           HG       LEU  61  -3.824  34.658   5.124
  480   HD11  LEU  61          HD11      LEU  61  -4.413  32.401   5.798
  481   HD12  LEU  61          HD12      LEU  61  -4.117  32.563   4.075
  482   HD13  LEU  61          HD13      LEU  61  -2.862  31.788   5.079
  483   HD21  LEU  61          HD21      LEU  61  -3.238  33.853   7.420
  484   HD22  LEU  61          HD22      LEU  61  -1.604  33.457   6.822
  485   HD23  LEU  61          HD23      LEU  61  -2.165  35.140   6.834
  486    H    GLY  62           H        GLY  62  -3.664  35.113   2.481
  487    HA2  GLY  62           HA2      GLY  62  -5.760  36.030   3.157
  488    HA3  GLY  62           HA3      GLY  62  -5.003  37.584   3.505
  489    H    GLU  63           H        GLU  63  -4.144  35.687   0.633
  490    HA   GLU  63           HA       GLU  63  -4.634  38.071  -1.022
  491    HB2  GLU  63           HB2      GLU  63  -3.583  35.278  -1.671
  492    HB3  GLU  63           HB3      GLU  63  -3.686  36.595  -2.837
  493    HG2  GLU  63           HG2      GLU  63  -1.989  36.600  -0.295
  494    HG3  GLU  63           HG3      GLU  63  -1.408  36.322  -1.930
  495    H    ASP  64           H        ASP  64  -5.955  34.784  -0.595
  496    HA   ASP  64           HA       ASP  64  -8.534  35.582  -1.765
  497    HB2  ASP  64           HB2      ASP  64  -7.038  34.943  -3.724
  498    HB3  ASP  64           HB3      ASP  64  -6.924  33.325  -3.028
  499    H    GLU  65           H        GLU  65  -7.131  34.318   0.790
  500    HA   GLU  65           HA       GLU  65  -9.054  32.156   1.281
  501    HB2  GLU  65           HB2      GLU  65  -7.401  30.476   1.640
  502    HB3  GLU  65           HB3      GLU  65  -7.093  31.123   0.038
  503    HG2  GLU  65           HG2      GLU  65  -5.573  31.781   2.580
  504    HG3  GLU  65           HG3      GLU  65  -5.074  30.668   1.313
  505    H    SER  66           H        SER  66  -8.906  31.414   3.568
  506    HA   SER  66           HA       SER  66  -7.042  32.701   5.368
  507    HB2  SER  66           HB2      SER  66  -9.015  33.414   6.897
  508    HB3  SER  66           HB3      SER  66  -8.489  34.503   5.605
  509    HG   SER  66           HG       SER  66 -10.736  32.750   5.486
  510    H    ILE  67           H        ILE  67  -6.730  31.385   7.132
  511    HA   ILE  67           HA       ILE  67  -8.302  28.892   7.269
  512    HB   ILE  67           HB       ILE  67  -6.483  28.533   9.113
  513   HG12  ILE  67          HG12      ILE  67  -5.171  30.678   8.581
  514   HG13  ILE  67          HG13      ILE  67  -4.317  29.180   8.710
  515   HG21  ILE  67          HG21      ILE  67  -5.996  27.930   6.285
  516   HG22  ILE  67          HG22      ILE  67  -5.102  27.288   7.726
  517   HG23  ILE  67          HG23      ILE  67  -6.811  26.919   7.546
  518   HD11  ILE  67          HD11      ILE  67  -5.152  30.245   6.034
  519   HD12  ILE  67          HD12      ILE  67  -3.623  30.652   6.860
  520   HD13  ILE  67          HD13      ILE  67  -3.962  28.981   6.398
  521    HA   PRO  68           HA       PRO  68 -10.110  31.047  10.934
  522    HB2  PRO  68           HB2      PRO  68 -11.933  29.126  11.675
  523    HB3  PRO  68           HB3      PRO  68 -12.219  30.309  10.367
  524    HG2  PRO  68           HG2      PRO  68 -11.277  27.445  10.120
  525    HG3  PRO  68           HG3      PRO  68 -12.527  28.284   9.160
  526    HD2  PRO  68           HD2      PRO  68  -9.990  27.975   8.252
  527    HD3  PRO  68           HD3      PRO  68 -10.920  29.452   7.892
  528    H    GLU  69           H        GLU  69  -9.803  30.728  13.199
  529    HA   GLU  69           HA       GLU  69  -7.520  29.380  13.972
  530    HB2  GLU  69           HB2      GLU  69  -9.814  30.236  15.744
  531    HB3  GLU  69           HB3      GLU  69  -8.168  29.814  16.269
  532    HG2  GLU  69           HG2      GLU  69  -7.242  31.653  14.889
  533    HG3  GLU  69           HG3      GLU  69  -8.878  32.133  14.423
  534    H    GLU  70           H        GLU  70 -10.721  28.120  13.662
  535    HA   GLU  70           HA       GLU  70 -10.786  25.903  15.363
  536    HB2  GLU  70           HB2      GLU  70 -12.628  26.929  13.888
  537    HB3  GLU  70           HB3      GLU  70 -11.906  26.074  12.529
  538    HG2  GLU  70           HG2      GLU  70 -13.742  24.765  13.301
  539    HG3  GLU  70           HG3      GLU  70 -12.286  23.901  13.770
  540    H    ILE  71           H        ILE  71  -9.240  26.253  12.137
  541    HA   ILE  71           HA       ILE  71  -8.424  23.386  12.238
  542    HB   ILE  71           HB       ILE  71  -7.993  23.586   9.858
  543   HG12  ILE  71          HG12      ILE  71  -9.249  26.353   9.976
  544   HG13  ILE  71          HG13      ILE  71  -7.571  26.010   9.585
  545   HG21  ILE  71          HG21      ILE  71 -10.815  24.498  10.501
  546   HG22  ILE  71          HG22      ILE  71 -10.286  23.450   9.183
  547   HG23  ILE  71          HG23      ILE  71 -10.205  22.854  10.847
  548   HD11  ILE  71          HD11      ILE  71  -8.819  26.390   7.501
  549   HD12  ILE  71          HD12      ILE  71  -8.361  24.684   7.583
  550   HD13  ILE  71          HD13      ILE  71 -10.029  25.220   7.949
  551    H    ILE  72           H        ILE  72  -7.184  26.635  12.359
  552    HA   ILE  72           HA       ILE  72  -4.750  26.528  11.220
  553    HB   ILE  72           HB       ILE  72  -6.207  28.043  13.280
  554   HG12  ILE  72          HG12      ILE  72  -4.631  28.462  10.768
  555   HG13  ILE  72          HG13      ILE  72  -6.377  28.508  11.095
  556   HG21  ILE  72          HG21      ILE  72  -4.284  27.888  14.666
  557   HG22  ILE  72          HG22      ILE  72  -3.246  28.522  13.336
  558   HG23  ILE  72          HG23      ILE  72  -4.550  29.512  14.070
  559   HD11  ILE  72          HD11      ILE  72  -6.071  30.551  12.319
  560   HD12  ILE  72          HD12      ILE  72  -4.307  30.478  11.936
  561   HD13  ILE  72          HD13      ILE  72  -5.486  30.612  10.615
  562    H    ASN  73           H        ASN  73  -5.517  25.386  14.342
  563    HA   ASN  73           HA       ASN  73  -2.945  25.206  15.533
  564    HB2  ASN  73           HB2      ASN  73  -4.237  23.929  17.213
  565    HB3  ASN  73           HB3      ASN  73  -5.004  25.463  16.739
  566   HD21  ASN  73          HD21      ASN  73  -7.126  25.424  15.820
  567   HD22  ASN  73          HD22      ASN  73  -7.939  23.950  15.395
  568    H    GLY  74           H        GLY  74  -3.864  23.582  12.967
  569    HA2  GLY  74           HA2      GLY  74  -1.952  21.390  13.400
  570    HA3  GLY  74           HA3      GLY  74  -3.578  20.884  12.901
  571    H    LYS  75           H        LYS  75  -1.849  20.217  11.387
  572    HA   LYS  75           HA       LYS  75  -0.990  21.768   9.175
  573    HB2  LYS  75           HB2      LYS  75  -1.733  18.887   9.692
  574    HB3  LYS  75           HB3      LYS  75  -1.655  19.420   8.027
  575    HG2  LYS  75           HG2      LYS  75   0.584  19.881  10.002
  576    HG3  LYS  75           HG3      LYS  75   0.482  18.435   8.970
  577    HD2  LYS  75           HD2      LYS  75   1.260  19.463   7.128
  578    HD3  LYS  75           HD3      LYS  75   0.186  20.834   7.330
  579    HE2  LYS  75           HE2      LYS  75   2.420  21.661   7.410
  580    HE3  LYS  75           HE3      LYS  75   1.704  21.814   9.013
  581    HZ1  LYS  75           HZ1      LYS  75   3.888  21.013   9.251
  582    HZ2  LYS  75           HZ2      LYS  75   2.924  19.745   9.618
  583    HZ3  LYS  75           HZ3      LYS  75   3.695  19.793   8.166
  584    H    CYS  76           H        CYS  76  -2.096  22.802   7.605
  585    HA   CYS  76           HA       CYS  76  -4.971  22.066   7.223
  586    HB2  CYS  76           HB2      CYS  76  -3.868  24.907   7.100
  587    HB3  CYS  76           HB3      CYS  76  -5.479  24.403   6.626
  588    HG   CYS  76           HG       CYS  76  -4.088  23.925   9.606
  589    H    PHE  77           H        PHE  77  -5.635  21.977   5.149
  590    HA   PHE  77           HA       PHE  77  -3.567  22.345   3.016
  591    HB2  PHE  77           HB2      PHE  77  -5.643  20.122   3.272
  592    HB3  PHE  77           HB3      PHE  77  -4.426  20.336   2.011
  593    HD1  PHE  77           HD1      PHE  77  -1.967  20.392   2.800
  594    HD2  PHE  77           HD2      PHE  77  -5.153  19.021   5.263
  595    HE1  PHE  77           HE1      PHE  77  -0.271  19.459   4.361
  596    HE2  PHE  77           HE2      PHE  77  -3.534  18.061   6.840
  597    HZ   PHE  77           HZ       PHE  77  -1.068  18.167   6.351
  598    H    PHE  78           H        PHE  78  -4.193  23.848   1.716
  599    HA   PHE  78           HA       PHE  78  -6.932  24.662   1.129
  600    HB2  PHE  78           HB2      PHE  78  -4.873  26.159   1.037
  601    HB3  PHE  78           HB3      PHE  78  -4.371  25.225  -0.364
  602    HD1  PHE  78           HD1      PHE  78  -7.109  27.371   0.993
  603    HD2  PHE  78           HD2      PHE  78  -5.214  25.762  -2.532
  604    HE1  PHE  78           HE1      PHE  78  -8.463  28.887  -0.434
  605    HE2  PHE  78           HE2      PHE  78  -6.535  27.317  -3.950
  606    HZ   PHE  78           HZ       PHE  78  -8.136  28.905  -2.892
  607    H    ILE  79           H        ILE  79  -8.124  23.258   0.049
  608    HA   ILE  79           HA       ILE  79  -6.821  21.358  -1.824
  609    HB   ILE  79           HB       ILE  79  -8.746  19.818  -1.067
  610   HG12  ILE  79          HG12      ILE  79  -8.876  21.570   1.380
  611   HG13  ILE  79          HG13      ILE  79  -9.891  21.931   0.001
  612   HG21  ILE  79          HG21      ILE  79  -6.929  18.870  -0.088
  613   HG22  ILE  79          HG22      ILE  79  -6.244  20.440   0.403
  614   HG23  ILE  79          HG23      ILE  79  -7.464  19.684   1.387
  615   HD11  ILE  79          HD11      ILE  79 -11.180  20.846   1.549
  616   HD12  ILE  79          HD12      ILE  79 -11.024  19.856   0.091
  617   HD13  ILE  79          HD13      ILE  79 -10.108  19.408   1.572
  618    H    HIS  80           H        HIS  80  -7.979  20.801  -3.729
  619    HA   HIS  80           HA       HIS  80 -10.287  22.597  -4.361
  620    HB2  HIS  80           HB2      HIS  80  -8.782  22.182  -6.200
  621    HB3  HIS  80           HB3      HIS  80  -8.974  20.423  -5.994
  622    HD2  HIS  80           HD2      HIS  80 -11.710  23.211  -6.152
  623    HE1  HIS  80           HE1      HIS  80 -12.723  20.229  -9.021
  624    HE2  HIS  80           HE2      HIS  80 -13.508  22.362  -7.885
  625    H    TYR  81           H        TYR  81 -12.241  21.905  -3.729
  626    HA   TYR  81           HA       TYR  81 -12.646  19.139  -2.791
  627    HB2  TYR  81           HB2      TYR  81 -14.388  21.565  -2.778
  628    HB3  TYR  81           HB3      TYR  81 -15.135  19.987  -2.798
  629    HD1  TYR  81           HD1      TYR  81 -14.468  18.239  -1.033
  630    HD2  TYR  81           HD2      TYR  81 -13.681  22.458  -0.610
  631    HE1  TYR  81           HE1      TYR  81 -14.553  17.992   1.408
  632    HE2  TYR  81           HE2      TYR  81 -13.748  22.213   1.860
  633    HH   TYR  81           HH       TYR  81 -14.471  19.073   3.462
  634    H    GLN  82           H        GLN  82 -12.726  17.667  -4.348
  635    HA   GLN  82           HA       GLN  82 -13.346  18.378  -7.112
  636    HB2  GLN  82           HB2      GLN  82 -12.816  15.624  -5.933
  637    HB3  GLN  82           HB3      GLN  82 -12.765  16.092  -7.635
  638    HG2  GLN  82           HG2      GLN  82 -10.880  17.682  -7.090
  639    HG3  GLN  82           HG3      GLN  82 -10.891  17.049  -5.434
  640   HE21  GLN  82          HE21      GLN  82  -9.633  15.382  -4.977
  641   HE22  GLN  82          HE22      GLN  82  -8.914  14.296  -6.152
  642    H    GLY  83           H        GLY  83 -14.997  17.269  -8.359
  643    HA2  GLY  83           HA2      GLY  83 -17.180  16.634  -8.738
  644    HA3  GLY  83           HA3      GLY  83 -17.302  16.056  -7.063
  645    H    TRP  84           H        TRP  84 -16.119  19.281  -7.013
  646    HA   TRP  84           HA       TRP  84 -18.854  20.426  -6.981
  647    HB2  TRP  84           HB2      TRP  84 -16.871  20.658  -4.672
  648    HB3  TRP  84           HB3      TRP  84 -18.405  21.531  -4.850
  649    HD1  TRP  84           HD1      TRP  84 -17.147  18.523  -3.213
  650    HE1  TRP  84           HE1      TRP  84 -19.147  17.197  -2.288
  651    HE3  TRP  84           HE3      TRP  84 -20.856  20.742  -5.892
  652    HZ2  TRP  84           HZ2      TRP  84 -21.993  17.268  -2.546
  653    HZ3  TRP  84           HZ3      TRP  84 -23.253  20.117  -5.528
  654    HH2  TRP  84           HH2      TRP  84 -23.835  18.377  -3.837
  655    H    LYS  85           H        LYS  85 -18.698  22.840  -6.627
  656    HA   LYS  85           HA       LYS  85 -17.517  23.816  -9.008
  657    HB2  LYS  85           HB2      LYS  85 -18.509  25.353  -6.560
  658    HB3  LYS  85           HB3      LYS  85 -18.214  26.060  -8.143
  659    HG2  LYS  85           HG2      LYS  85 -20.354  24.005  -7.431
  660    HG3  LYS  85           HG3      LYS  85 -20.599  25.713  -7.760
  661    HD2  LYS  85           HD2      LYS  85 -19.682  23.622  -9.783
  662    HD3  LYS  85           HD3      LYS  85 -21.291  24.331  -9.643
  663    HE2  LYS  85           HE2      LYS  85 -20.372  26.579 -10.122
  664    HE3  LYS  85           HE3      LYS  85 -18.749  25.893 -10.293
  665    HZ1  LYS  85           HZ1      LYS  85 -19.804  26.175 -12.438
  666    HZ2  LYS  85           HZ2      LYS  85 -19.589  24.579 -12.170
  667    HZ3  LYS  85           HZ3      LYS  85 -21.077  25.248 -12.011
  668    H    SER  86           H        SER  86 -15.615  24.848  -9.443
  669    HA   SER  86           HA       SER  86 -13.377  24.595  -7.882
  670    HB2  SER  86           HB2      SER  86 -13.845  26.784  -9.938
  671    HB3  SER  86           HB3      SER  86 -12.314  26.003  -9.522
  672    HG   SER  86           HG       SER  86 -13.224  25.142 -11.451
  673    H    SER  87           H        SER  87 -15.875  26.958  -7.309
  674    HA   SER  87           HA       SER  87 -14.354  28.994  -5.996
  675    HB2  SER  87           HB2      SER  87 -16.654  29.253  -4.810
  676    HB3  SER  87           HB3      SER  87 -16.546  29.561  -6.548
  677    HG   SER  87           HG       SER  87 -18.343  28.256  -6.025
  678    H    TRP  88           H        TRP  88 -15.244  25.707  -5.120
  679    HA   TRP  88           HA       TRP  88 -14.884  26.060  -2.278
  680    HB2  TRP  88           HB2      TRP  88 -15.253  23.594  -4.019
  681    HB3  TRP  88           HB3      TRP  88 -15.060  23.566  -2.284
  682    HD1  TRP  88           HD1      TRP  88 -17.498  25.691  -4.440
  683    HE1  TRP  88           HE1      TRP  88 -19.759  25.602  -3.298
  684    HE3  TRP  88           HE3      TRP  88 -16.302  22.593  -0.558
  685    HZ2  TRP  88           HZ2      TRP  88 -21.037  24.030  -1.184
  686    HZ3  TRP  88           HZ3      TRP  88 -18.067  21.769   0.981
  687    HH2  TRP  88           HH2      TRP  88 -20.428  22.486   0.692
  688    H    ASP  89           H        ASP  89 -12.539  26.616  -4.258
  689    HA   ASP  89           HA       ASP  89 -10.463  24.786  -3.344
  690    HB2  ASP  89           HB2      ASP  89 -10.587  27.249  -5.033
  691    HB3  ASP  89           HB3      ASP  89  -9.130  27.012  -4.074
  692    H    GLU  90           H        GLU  90 -10.569  24.686  -1.113
  693    HA   GLU  90           HA       GLU  90 -10.377  27.188   0.492
  694    HB2  GLU  90           HB2      GLU  90 -12.786  26.342   0.136
  695    HB3  GLU  90           HB3      GLU  90 -12.269  24.798   0.840
  696    HG2  GLU  90           HG2      GLU  90 -13.527  26.207   2.420
  697    HG3  GLU  90           HG3      GLU  90 -11.939  25.785   2.990
  698    H    TRP  91           H        TRP  91  -9.287  26.812   2.581
  699    HA   TRP  91           HA       TRP  91  -7.997  24.220   2.740
  700    HB2  TRP  91           HB2      TRP  91  -7.747  25.671   5.230
  701    HB3  TRP  91           HB3      TRP  91  -6.557  24.910   4.213
  702    HD1  TRP  91           HD1      TRP  91  -8.569  28.202   4.270
  703    HE1  TRP  91           HE1      TRP  91  -6.927  30.119   4.054
  704    HE3  TRP  91           HE3      TRP  91  -4.226  25.537   3.575
  705    HZ2  TRP  91           HZ2      TRP  91  -4.117  30.481   3.390
  706    HZ3  TRP  91           HZ3      TRP  91  -2.110  26.730   3.050
  707    HH2  TRP  91           HH2      TRP  91  -2.132  29.234   2.801
  708    H    VAL  92           H        VAL  92  -8.055  22.741   4.306
  709    HA   VAL  92           HA       VAL  92 -10.134  22.916   6.420
  710    HB   VAL  92           HB       VAL  92 -10.514  20.411   6.150
  711   HG11  VAL  92          HG11      VAL  92 -12.199  22.047   5.393
  712   HG12  VAL  92          HG12      VAL  92 -11.421  22.098   3.792
  713   HG13  VAL  92          HG13      VAL  92 -12.122  20.577   4.392
  714   HG21  VAL  92          HG21      VAL  92 -10.166  19.371   4.027
  715   HG22  VAL  92          HG22      VAL  92  -9.351  20.827   3.391
  716   HG23  VAL  92          HG23      VAL  92  -8.612  19.918   4.704
  717    H    GLY  93           H        GLY  93  -9.613  21.523   8.234
  718    HA2  GLY  93           HA2      GLY  93  -6.681  21.178   8.620
  719    HA3  GLY  93           HA3      GLY  93  -7.902  21.290   9.891
  720    H    TYR  94           H        TYR  94  -6.181  19.245   9.974
  721    HA   TYR  94           HA       TYR  94  -6.937  16.856   8.691
  722    HB2  TYR  94           HB2      TYR  94  -5.007  17.762  10.520
  723    HB3  TYR  94           HB3      TYR  94  -5.833  16.436  11.361
  724    HD1  TYR  94           HD1      TYR  94  -6.355  14.374   9.747
  725    HD2  TYR  94           HD2      TYR  94  -3.293  17.306   9.088
  726    HE1  TYR  94           HE1      TYR  94  -5.413  12.953   7.959
  727    HE2  TYR  94           HE2      TYR  94  -2.337  15.907   7.271
  728    HH   TYR  94           HH       TYR  94  -2.535  13.863   6.042
  729    H    ASP  95           H        ASP  95  -8.420  18.488  11.299
  730    HA   ASP  95           HA       ASP  95 -10.021  16.461  12.467
  731    HB2  ASP  95           HB2      ASP  95  -9.861  18.745  13.366
  732    HB3  ASP  95           HB3      ASP  95 -10.659  19.388  11.925
  733    H    ARG  96           H        ARG  96 -10.204  17.907   9.292
  734    HA   ARG  96           HA       ARG  96 -12.757  16.428   8.735
  735    HB2  ARG  96           HB2      ARG  96 -11.497  18.883   7.462
  736    HB3  ARG  96           HB3      ARG  96 -12.777  17.952   6.686
  737    HG2  ARG  96           HG2      ARG  96 -14.333  18.446   8.499
  738    HG3  ARG  96           HG3      ARG  96 -13.065  19.336   9.386
  739    HD2  ARG  96           HD2      ARG  96 -12.887  20.999   7.676
  740    HD3  ARG  96           HD3      ARG  96 -13.817  20.049   6.520
  741    HE   ARG  96           HE       ARG  96 -14.818  21.684   8.757
  742   HH11  ARG  96          HH11      ARG  96 -15.743  19.204   6.376
  743   HH12  ARG  96          HH12      ARG  96 -17.231  19.975   5.946
  744   HH21  ARG  96          HH21      ARG  96 -16.951  22.534   8.403
  745   HH22  ARG  96          HH22      ARG  96 -18.012  21.769   7.278
  746    H    ILE  97           H        ILE  97  -9.414  17.140   7.453
  747    HA   ILE  97           HA       ILE  97 -10.056  15.296   5.279
  748    HB   ILE  97           HB       ILE  97  -9.310  17.607   4.983
  749   HG12  ILE  97          HG12      ILE  97  -7.610  15.532   3.566
  750   HG13  ILE  97          HG13      ILE  97  -9.189  16.156   3.061
  751   HG21  ILE  97          HG21      ILE  97  -7.313  17.350   6.720
  752   HG22  ILE  97          HG22      ILE  97  -6.421  16.836   5.241
  753   HG23  ILE  97          HG23      ILE  97  -7.294  18.406   5.288
  754   HD11  ILE  97          HD11      ILE  97  -8.036  18.471   3.114
  755   HD12  ILE  97          HD12      ILE  97  -6.506  17.560   3.062
  756   HD13  ILE  97          HD13      ILE  97  -7.690  17.413   1.758
  757    H    ARG  98           H        ARG  98  -8.703  13.778   4.428
  758    HA   ARG  98           HA       ARG  98  -6.263  12.929   5.905
  759    HB2  ARG  98           HB2      ARG  98  -8.394  11.043   4.978
  760    HB3  ARG  98           HB3      ARG  98  -6.744  10.649   5.549
  761    HG2  ARG  98           HG2      ARG  98  -7.331  11.580   7.803
  762    HG3  ARG  98           HG3      ARG  98  -8.988  11.928   7.217
  763    HD2  ARG  98           HD2      ARG  98  -9.221   9.596   6.548
  764    HD3  ARG  98           HD3      ARG  98  -7.592   9.251   7.189
  765    HE   ARG  98           HE       ARG  98  -8.845  10.229   9.377
  766   HH11  ARG  98          HH11      ARG  98  -9.882   7.731   7.042
  767   HH12  ARG  98          HH12      ARG  98 -10.873   6.891   8.184
  768   HH21  ARG  98          HH21      ARG  98 -10.147   9.082  10.891
  769   HH22  ARG  98          HH22      ARG  98 -11.001   7.656  10.426
  770    H    ALA  99           H        ALA  99  -4.749  11.989   4.412
  771    HA   ALA  99           HA       ALA  99  -4.828  12.678   1.661
  772    HB1  ALA  99           HB1      ALA  99  -3.215  10.391   2.671
  773    HB2  ALA  99           HB2      ALA  99  -2.768  11.716   1.486
  774    HB3  ALA  99           HB3      ALA  99  -2.855  12.050   3.233
  775    H    TYR 100           H        TYR 100  -4.541  11.147  -0.121
  776    HA   TYR 100           HA       TYR 100  -6.788   9.438  -0.246
  777    HB2  TYR 100           HB2      TYR 100  -5.064  10.534  -2.108
  778    HB3  TYR 100           HB3      TYR 100  -4.637   8.854  -2.206
  779    HD1  TYR 100           HD1      TYR 100  -7.814  10.898  -1.948
  780    HD2  TYR 100           HD2      TYR 100  -5.837   7.520  -3.765
  781    HE1  TYR 100           HE1      TYR 100  -9.809  10.491  -3.335
  782    HE2  TYR 100           HE2      TYR 100  -7.830   7.122  -5.181
  783    HH   TYR 100           HH       TYR 100 -10.707   9.287  -5.120
  784    H    ASN 101           H        ASN 101  -7.134   7.422   0.265
  785    HA   ASN 101           HA       ASN 101  -4.975   5.427   0.620
  786    HB2  ASN 101           HB2      ASN 101  -6.763   6.600   2.766
  787    HB3  ASN 101           HB3      ASN 101  -6.161   4.946   2.921
  788   HD21  ASN 101          HD21      ASN 101  -5.790   7.703   4.135
  789   HD22  ASN 101          HD22      ASN 101  -4.057   7.812   4.446
  790    H    GLU 102           H        GLU 102  -5.809   3.307   0.585
  791    HA   GLU 102           HA       GLU 102  -8.382   2.760  -0.521
  792    HB2  GLU 102           HB2      GLU 102  -6.493   1.019   1.127
  793    HB3  GLU 102           HB3      GLU 102  -7.917   0.423   0.255
  794    HG2  GLU 102           HG2      GLU 102  -6.949   1.268  -1.892
  795    HG3  GLU 102           HG3      GLU 102  -5.480   1.741  -1.030
  796    H    GLU 103           H        GLU 103  -7.262   3.306   2.806
  797    HA   GLU 103           HA       GLU 103  -9.604   2.253   4.139
  798    HB2  GLU 103           HB2      GLU 103  -7.715   2.383   5.448
  799    HB3  GLU 103           HB3      GLU 103  -7.192   3.941   4.794
  800    HG2  GLU 103           HG2      GLU 103  -8.685   5.187   6.078
  801    HG3  GLU 103           HG3      GLU 103  -9.671   3.766   6.516
  802    H    ASN 104           H        ASN 104  -8.845   5.306   2.484
  803    HA   ASN 104           HA       ASN 104 -11.183   6.660   3.751
  804    HB2  ASN 104           HB2      ASN 104  -9.013   7.774   2.029
  805    HB3  ASN 104           HB3      ASN 104 -10.404   8.642   2.750
  806   HD21  ASN 104          HD21      ASN 104  -7.476   9.071   3.253
  807   HD22  ASN 104          HD22      ASN 104  -7.311   8.822   4.983
  808    H    ILE 105           H        ILE 105 -10.227   4.911   0.904
  809    HA   ILE 105           HA       ILE 105 -12.597   5.712  -0.571
  810    HB   ILE 105           HB       ILE 105 -10.293   3.825  -0.781
  811   HG12  ILE 105          HG12      ILE 105  -9.435   5.347  -2.245
  812   HG13  ILE 105          HG13      ILE 105 -11.000   5.666  -3.015
  813   HG21  ILE 105          HG21      ILE 105 -11.141   3.178  -3.041
  814   HG22  ILE 105          HG22      ILE 105 -12.043   2.537  -1.655
  815   HG23  ILE 105          HG23      ILE 105 -12.715   3.907  -2.572
  816   HD11  ILE 105          HD11      ILE 105  -9.904   7.064  -0.542
  817   HD12  ILE 105          HD12      ILE 105 -10.023   7.711  -2.166
  818   HD13  ILE 105          HD13      ILE 105 -11.502   7.403  -1.266
  819    H    ALA 106           H        ALA 106 -11.653   3.208   1.776
  820    HA   ALA 106           HA       ALA 106 -14.029   1.618   1.438
  821    HB1  ALA 106           HB1      ALA 106 -13.351   0.656   3.573
  822    HB2  ALA 106           HB2      ALA 106 -11.917   0.891   2.529
  823    HB3  ALA 106           HB3      ALA 106 -12.229   2.001   3.873
  824    H    MET 107           H        MET 107 -13.091   4.399   3.535
  825    HA   MET 107           HA       MET 107 -15.734   4.740   4.617
  826    HB2  MET 107           HB2      MET 107 -14.878   6.408   5.834
  827    HB3  MET 107           HB3      MET 107 -13.330   5.821   5.234
  828    HG2  MET 107           HG2      MET 107 -13.769   7.614   3.348
  829    HG3  MET 107           HG3      MET 107 -14.922   8.257   4.506
  830    HE1  MET 107           HE1      MET 107 -13.767  10.447   4.465
  831    HE2  MET 107           HE2      MET 107 -12.001  10.745   4.512
  832    HE3  MET 107           HE3      MET 107 -12.712   9.750   3.192
  833    H    LYS 108           H        LYS 108 -14.194   6.213   1.647
  834    HA   LYS 108           HA       LYS 108 -16.345   7.794   0.916
  835    HB2  LYS 108           HB2      LYS 108 -14.222   7.810  -0.385
  836    HB3  LYS 108           HB3      LYS 108 -14.527   6.163  -0.905
  837    HG2  LYS 108           HG2      LYS 108 -14.951   7.606  -2.735
  838    HG3  LYS 108           HG3      LYS 108 -16.398   6.766  -2.269
  839    HD2  LYS 108           HD2      LYS 108 -17.441   8.763  -2.432
  840    HD3  LYS 108           HD3      LYS 108 -16.769   9.118  -0.859
  841    HE2  LYS 108           HE2      LYS 108 -16.102  10.962  -2.134
  842    HE3  LYS 108           HE3      LYS 108 -14.645   9.921  -2.172
  843    HZ1  LYS 108           HZ1      LYS 108 -16.633  10.309  -4.342
  844    HZ2  LYS 108           HZ2      LYS 108 -15.011  10.603  -4.416
  845    HZ3  LYS 108           HZ3      LYS 108 -15.555   9.074  -4.358
  846    H    LYS 109           H        LYS 109 -15.777   4.339  -0.123
  847    HA   LYS 109           HA       LYS 109 -18.182   4.263  -1.623
  848    HB2  LYS 109           HB2      LYS 109 -17.721   1.972  -2.012
  849    HB3  LYS 109           HB3      LYS 109 -16.183   2.841  -1.977
  850    HG2  LYS 109           HG2      LYS 109 -16.069   2.055   0.521
  851    HG3  LYS 109           HG3      LYS 109 -17.323   0.907   0.070
  852    HD2  LYS 109           HD2      LYS 109 -14.485   1.132  -1.020
  853    HD3  LYS 109           HD3      LYS 109 -15.194  -0.190  -0.059
  854    HE2  LYS 109           HE2      LYS 109 -16.881  -0.445  -1.949
  855    HE3  LYS 109           HE3      LYS 109 -15.861   0.670  -2.892
  856    HZ1  LYS 109           HZ1      LYS 109 -14.041  -0.916  -2.691
  857    HZ2  LYS 109           HZ2      LYS 109 -14.971  -1.951  -1.827
  858    HZ3  LYS 109           HZ3      LYS 109 -15.326  -1.637  -3.389
  859    H    ARG 110           H        ARG 110 -17.508   2.995   1.672
  860    HA   ARG 110           HA       ARG 110 -20.146   2.158   2.287
  861    HB2  ARG 110           HB2      ARG 110 -18.118   1.745   3.644
  862    HB3  ARG 110           HB3      ARG 110 -18.038   3.443   4.115
  863    HG2  ARG 110           HG2      ARG 110 -20.507   1.790   4.711
  864    HG3  ARG 110           HG3      ARG 110 -19.056   1.600   5.694
  865    HD2  ARG 110           HD2      ARG 110 -19.064   3.875   6.408
  866    HD3  ARG 110           HD3      ARG 110 -20.345   4.337   5.305
  867    HE   ARG 110           HE       ARG 110 -20.601   3.034   7.873
  868   HH11  ARG 110          HH11      ARG 110 -22.275   3.535   4.754
  869   HH12  ARG 110          HH12      ARG 110 -23.834   3.153   5.398
  870   HH21  ARG 110          HH21      ARG 110 -22.681   2.566   8.700
  871   HH22  ARG 110          HH22      ARG 110 -24.072   2.599   7.679
  872    H    LEU 111           H        LEU 111 -18.860   5.481   2.234
  873    HA   LEU 111           HA       LEU 111 -21.240   6.679   3.380
  874    HB2  LEU 111           HB2      LEU 111 -18.762   7.621   1.890
  875    HB3  LEU 111           HB3      LEU 111 -20.071   8.711   2.123
  876    HG   LEU 111           HG       LEU 111 -18.648   7.289   4.382
  877   HD11  LEU 111          HD11      LEU 111 -17.392   9.045   2.865
  878   HD12  LEU 111          HD12      LEU 111 -18.383  10.224   3.751
  879   HD13  LEU 111          HD13      LEU 111 -17.248   9.160   4.599
  880   HD21  LEU 111          HD21      LEU 111 -19.792   9.144   5.741
  881   HD22  LEU 111          HD22      LEU 111 -20.840   9.383   4.316
  882   HD23  LEU 111          HD23      LEU 111 -20.818   7.835   5.158
  883    H    ALA 112           H        ALA 112 -19.889   6.655   0.084
  884    HA   ALA 112           HA       ALA 112 -21.982   7.918  -1.260
  885    HB1  ALA 112           HB1      ALA 112 -19.743   7.515  -2.213
  886    HB2  ALA 112           HB2      ALA 112 -20.089   5.766  -2.314
  887    HB3  ALA 112           HB3      ALA 112 -21.020   6.914  -3.300
  888    H    ASN 113           H        ASN 113 -21.903   4.667  -0.051
  889    HA   ASN 113           HA       ASN 113 -23.970   3.380  -1.460
  890    HB2  ASN 113           HB2      ASN 113 -22.448   2.431   0.276
  891    HB3  ASN 113           HB3      ASN 113 -23.275   3.416   1.487
  892   HD21  ASN 113          HD21      ASN 113 -23.727   1.571   2.708
  893   HD22  ASN 113          HD22      ASN 113 -24.925   0.396   2.227
  894    H    LEU 114           H        LEU 114 -24.140   5.939   1.045
  895    HA   LEU 114           HA       LEU 114 -27.030   5.843   1.426
  896    HB2  LEU 114           HB2      LEU 114 -24.911   7.908   2.151
  897    HB3  LEU 114           HB3      LEU 114 -26.617   8.142   2.433
  898    HG   LEU 114           HG       LEU 114 -26.750   6.306   3.991
  899   HD11  LEU 114          HD11      LEU 114 -24.662   5.219   4.847
  900   HD12  LEU 114          HD12      LEU 114 -25.090   4.720   3.205
  901   HD13  LEU 114          HD13      LEU 114 -23.781   5.899   3.454
  902   HD21  LEU 114          HD21      LEU 114 -25.371   7.326   5.776
  903   HD22  LEU 114          HD22      LEU 114 -24.398   8.174   4.551
  904   HD23  LEU 114          HD23      LEU 114 -26.119   8.575   4.763
  905    H    GLU 115           H        GLU 115 -24.734   7.670  -0.526
  906    HA   GLU 115           HA       GLU 115 -26.273   9.891  -1.204
  907    HB2  GLU 115           HB2      GLU 115 -23.832   9.652  -1.599
  908    HB3  GLU 115           HB3      GLU 115 -24.160   8.575  -2.965
  909    HG2  GLU 115           HG2      GLU 115 -25.408  10.387  -4.103
  910    HG3  GLU 115           HG3      GLU 115 -25.119  11.452  -2.730
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -3.120  -1.222  -1.050
    2    H2   MET   1           H2       MET   1  -1.960  -1.688  -2.112
    3    H3   MET   1           H3       MET   1  -2.618  -2.793  -1.075
    4    HA   MET   1           HA       MET   1  -1.726  -1.626   0.807
    5    HB2  MET   1           HB2      MET   1  -0.412  -3.470  -0.208
    6    HB3  MET   1           HB3      MET   1   0.373  -2.324  -1.298
    7    HG2  MET   1           HG2      MET   1   1.811  -2.901   0.595
    8    HG3  MET   1           HG3      MET   1   1.426  -1.185   0.588
    9    HE1  MET   1           HE1      MET   1   1.812  -1.836   4.393
   10    HE2  MET   1           HE2      MET   1   2.772  -2.503   3.049
   11    HE3  MET   1           HE3      MET   1   2.249  -0.803   3.016
   12    H    VAL   2           H        VAL   2  -0.880   0.250   1.676
   13    HA   VAL   2           HA       VAL   2   0.347   2.277  -0.056
   14    HB   VAL   2           HB       VAL   2  -0.984   4.069   1.074
   15   HG11  VAL   2          HG11      VAL   2  -2.873   3.979  -0.427
   16   HG12  VAL   2          HG12      VAL   2  -1.473   3.292  -1.254
   17   HG13  VAL   2          HG13      VAL   2  -2.732   2.222  -0.606
   18   HG21  VAL   2          HG21      VAL   2  -2.921   1.850   1.877
   19   HG22  VAL   2          HG22      VAL   2  -1.899   2.781   2.992
   20   HG23  VAL   2          HG23      VAL   2  -3.165   3.588   2.069
   21    H    ASP   3           H        ASP   3   1.652   3.724   1.196
   22    HA   ASP   3           HA       ASP   3   2.191   2.993   4.038
   23    HB2  ASP   3           HB2      ASP   3   3.605   1.488   2.713
   24    HB3  ASP   3           HB3      ASP   3   4.261   2.863   1.819
   25    H    LEU   4           H        LEU   4   2.443   5.249   1.351
   26    HA   LEU   4           HA       LEU   4   3.175   7.433   3.262
   27    HB2  LEU   4           HB2      LEU   4   5.109   6.872   1.863
   28    HB3  LEU   4           HB3      LEU   4   4.117   6.960   0.411
   29    HG   LEU   4           HG       LEU   4   3.804   9.396   0.730
   30   HD11  LEU   4          HD11      LEU   4   3.984   9.600   3.177
   31   HD12  LEU   4          HD12      LEU   4   5.677   9.059   3.122
   32   HD13  LEU   4          HD13      LEU   4   5.201  10.609   2.403
   33   HD21  LEU   4          HD21      LEU   4   6.716   8.508   0.808
   34   HD22  LEU   4          HD22      LEU   4   5.667   8.543  -0.624
   35   HD23  LEU   4          HD23      LEU   4   6.100  10.057   0.183
   36    H    GLU   5           H        GLU   5   1.303   6.305   0.500
   37    HA   GLU   5           HA       GLU   5   0.239   8.706  -0.451
   38    HB2  GLU   5           HB2      GLU   5  -1.089   5.956  -0.461
   39    HB3  GLU   5           HB3      GLU   5  -1.359   7.290  -1.578
   40    HG2  GLU   5           HG2      GLU   5   0.026   6.114  -2.894
   41    HG3  GLU   5           HG3      GLU   5   1.266   7.008  -2.031
   42    H    GLN   6           H        GLN   6  -0.594   6.885   2.417
   43    HA   GLN   6           HA       GLN   6  -3.229   7.945   2.800
   44    HB2  GLN   6           HB2      GLN   6  -2.522   5.685   3.414
   45    HB3  GLN   6           HB3      GLN   6  -1.244   6.316   4.461
   46    HG2  GLN   6           HG2      GLN   6  -2.809   7.221   5.981
   47    HG3  GLN   6           HG3      GLN   6  -4.162   6.944   4.875
   48   HE21  GLN   6          HE21      GLN   6  -4.895   4.673   4.492
   49   HE22  GLN   6          HE22      GLN   6  -4.515   3.439   5.680
   50    H    GLU   7           H        GLU   7   0.014   9.123   3.450
   51    HA   GLU   7           HA       GLU   7  -0.842  10.985   5.594
   52    HB2  GLU   7           HB2      GLU   7   1.769  10.742   3.993
   53    HB3  GLU   7           HB3      GLU   7   1.447  11.909   5.265
   54    HG2  GLU   7           HG2      GLU   7   0.989   9.984   6.864
   55    HG3  GLU   7           HG3      GLU   7   1.595   8.884   5.624
   56    H    PHE   8           H        PHE   8  -1.034  13.226   5.134
   57    HA   PHE   8           HA       PHE   8  -1.880  14.133   2.581
   58    HB2  PHE   8           HB2      PHE   8  -1.529  16.326   3.281
   59    HB3  PHE   8           HB3      PHE   8  -2.087  15.491   4.723
   60    HD1  PHE   8           HD1      PHE   8  -0.291  14.829   6.500
   61    HD2  PHE   8           HD2      PHE   8   0.648  17.267   3.074
   62    HE1  PHE   8           HE1      PHE   8   1.816  15.556   7.593
   63    HE2  PHE   8           HE2      PHE   8   2.753  18.009   4.180
   64    HZ   PHE   8           HZ       PHE   8   3.340  17.137   6.439
   65    H    ALA   9           H        ALA   9  -0.818  14.797   0.817
   66    HA   ALA   9           HA       ALA   9   2.184  14.642   0.875
   67    HB1  ALA   9           HB1      ALA   9   0.052  13.429  -0.871
   68    HB2  ALA   9           HB2      ALA   9   1.806  13.385  -1.269
   69    HB3  ALA   9           HB3      ALA   9   1.185  12.586   0.223
   70    H    LEU  10           H        LEU  10   3.251  15.773  -0.772
   71    HA   LEU  10           HA       LEU  10   2.078  18.391  -1.229
   72    HB2  LEU  10           HB2      LEU  10   4.778  17.164  -1.594
   73    HB3  LEU  10           HB3      LEU  10   4.352  18.568  -2.572
   74    HG   LEU  10           HG       LEU  10   5.558  19.019  -0.365
   75   HD11  LEU  10          HD11      LEU  10   4.301  21.125  -0.069
   76   HD12  LEU  10          HD12      LEU  10   4.546  20.707  -1.774
   77   HD13  LEU  10          HD13      LEU  10   2.953  20.464  -1.025
   78   HD21  LEU  10          HD21      LEU  10   4.151  17.557   1.084
   79   HD22  LEU  10          HD22      LEU  10   4.214  19.239   1.655
   80   HD23  LEU  10          HD23      LEU  10   2.765  18.640   0.826
   81    H    GLY  11           H        GLY  11   0.402  17.906  -2.339
   82    HA2  GLY  11           HA2      GLY  11  -0.728  18.229  -4.350
   83    HA3  GLY  11           HA3      GLY  11   0.671  17.645  -5.289
   84    H    GLY  12           H        GLY  12  -0.674  16.048  -2.313
   85    HA2  GLY  12           HA2      GLY  12  -1.319  13.638  -3.882
   86    HA3  GLY  12           HA3      GLY  12  -1.570  13.921  -2.144
   87    H    ARG  13           H        ARG  13  -3.607  12.895  -3.464
   88    HA   ARG  13           HA       ARG  13  -5.542  15.109  -3.975
   89    HB2  ARG  13           HB2      ARG  13  -5.494  12.151  -4.639
   90    HB3  ARG  13           HB3      ARG  13  -7.031  13.003  -4.350
   91    HG2  ARG  13           HG2      ARG  13  -6.654  14.444  -6.225
   92    HG3  ARG  13           HG3      ARG  13  -5.019  13.753  -6.490
   93    HD2  ARG  13           HD2      ARG  13  -5.987  11.501  -6.740
   94    HD3  ARG  13           HD3      ARG  13  -7.605  12.141  -6.423
   95    HE   ARG  13           HE       ARG  13  -6.352  13.474  -8.672
   96   HH11  ARG  13          HH11      ARG  13  -8.011  10.448  -7.798
   97   HH12  ARG  13          HH12      ARG  13  -8.559  10.123  -9.403
   98   HH21  ARG  13          HH21      ARG  13  -7.118  13.055 -10.809
   99   HH22  ARG  13          HH22      ARG  13  -8.033  11.632 -11.148
  100    H    CYS  14           H        CYS  14  -7.416  14.658  -2.553
  101    HA   CYS  14           HA       CYS  14  -6.988  12.929  -0.204
  102    HB2  CYS  14           HB2      CYS  14  -7.650  15.206   1.093
  103    HB3  CYS  14           HB3      CYS  14  -5.981  14.703   0.863
  104    HG   CYS  14           HG       CYS  14  -7.714  16.551  -1.183
  105    H    LEU  15           H        LEU  15  -8.891  13.411   1.341
  106    HA   LEU  15           HA       LEU  15 -11.411  14.022  -0.093
  107    HB2  LEU  15           HB2      LEU  15 -11.083  11.702   1.875
  108    HB3  LEU  15           HB3      LEU  15 -12.554  12.269   1.147
  109    HG   LEU  15           HG       LEU  15 -12.010  10.261   0.137
  110   HD11  LEU  15          HD11      LEU  15 -12.751  12.196  -1.355
  111   HD12  LEU  15          HD12      LEU  15 -11.101  12.245  -1.963
  112   HD13  LEU  15          HD13      LEU  15 -12.065  10.770  -2.168
  113   HD21  LEU  15          HD21      LEU  15  -9.530  10.454   0.763
  114   HD22  LEU  15          HD22      LEU  15 -10.011   9.499  -0.633
  115   HD23  LEU  15          HD23      LEU  15  -9.315  11.113  -0.879
  116    H    ALA  16           H        ALA  16 -12.781  15.118   1.335
  117    HA   ALA  16           HA       ALA  16 -11.939  15.237   4.148
  118    HB1  ALA  16           HB1      ALA  16 -11.007  17.324   3.421
  119    HB2  ALA  16           HB2      ALA  16 -12.444  17.703   2.433
  120    HB3  ALA  16           HB3      ALA  16 -12.521  17.720   4.217
  121    H    PHE  17           H        PHE  17 -13.463  15.394   5.568
  122    HA   PHE  17           HA       PHE  17 -16.019  14.245   4.648
  123    HB2  PHE  17           HB2      PHE  17 -14.159  13.704   6.761
  124    HB3  PHE  17           HB3      PHE  17 -15.612  14.294   7.537
  125    HD1  PHE  17           HD1      PHE  17 -17.862  13.163   6.093
  126    HD2  PHE  17           HD2      PHE  17 -13.957  11.419   6.774
  127    HE1  PHE  17           HE1      PHE  17 -18.809  10.931   5.888
  128    HE2  PHE  17           HE2      PHE  17 -14.982   9.159   6.580
  129    HZ   PHE  17           HZ       PHE  17 -17.370   8.904   6.226
  130    H    HIS  18           H        HIS  18 -17.957  15.307   4.917
  131    HA   HIS  18           HA       HIS  18 -17.841  18.084   6.049
  132    HB2  HIS  18           HB2      HIS  18 -19.564  16.804   3.905
  133    HB3  HIS  18           HB3      HIS  18 -20.030  18.287   4.724
  134    HD2  HIS  18           HD2      HIS  18 -16.999  16.997   2.608
  135    HE1  HIS  18           HE1      HIS  18 -17.271  21.218   2.096
  136    HE2  HIS  18           HE2      HIS  18 -16.047  19.109   1.365
  137    H    GLY  19           H        GLY  19 -19.775  15.060   5.982
  138    HA2  GLY  19           HA2      GLY  19 -20.343  14.588   8.513
  139    HA3  GLY  19           HA3      GLY  19 -21.402  15.990   8.289
  140    HA   PRO  20           HA       PRO  20 -24.452  13.490   6.081
  141    HB2  PRO  20           HB2      PRO  20 -24.018  15.183   3.630
  142    HB3  PRO  20           HB3      PRO  20 -25.550  14.724   4.426
  143    HG2  PRO  20           HG2      PRO  20 -24.516  17.225   4.753
  144    HG3  PRO  20           HG3      PRO  20 -25.243  16.359   6.143
  145    HD2  PRO  20           HD2      PRO  20 -22.311  16.657   5.439
  146    HD3  PRO  20           HD3      PRO  20 -23.111  16.796   7.030
  147    H    LEU  21           H        LEU  21 -21.639  14.537   4.111
  148    HA   LEU  21           HA       LEU  21 -20.973  11.806   3.492
  149    HB2  LEU  21           HB2      LEU  21 -22.557  13.163   1.605
  150    HB3  LEU  21           HB3      LEU  21 -20.939  13.500   1.025
  151    HG   LEU  21           HG       LEU  21 -20.836  10.805   1.736
  152   HD11  LEU  21          HD11      LEU  21 -23.465  11.393   0.353
  153   HD12  LEU  21          HD12      LEU  21 -22.818   9.761   0.659
  154   HD13  LEU  21          HD13      LEU  21 -23.261  10.774   2.027
  155   HD21  LEU  21          HD21      LEU  21 -19.703  11.532  -0.206
  156   HD22  LEU  21          HD22      LEU  21 -20.768  10.208  -0.621
  157   HD23  LEU  21          HD23      LEU  21 -21.247  11.877  -1.039
  158    H    MET  22           H        MET  22 -19.082  12.317   1.514
  159    HA   MET  22           HA       MET  22 -17.042  14.084   2.731
  160    HB2  MET  22           HB2      MET  22 -16.791  11.779   3.631
  161    HB3  MET  22           HB3      MET  22 -17.027  11.139   2.005
  162    HG2  MET  22           HG2      MET  22 -14.769  12.742   1.706
  163    HG3  MET  22           HG3      MET  22 -14.615  12.023   3.312
  164    HE1  MET  22           HE1      MET  22 -15.904  10.666  -0.395
  165    HE2  MET  22           HE2      MET  22 -14.564  11.820  -0.309
  166    HE3  MET  22           HE3      MET  22 -14.205  10.136  -0.731
  167    H    TYR  23           H        TYR  23 -15.781  15.005   1.058
  168    HA   TYR  23           HA       TYR  23 -16.387  14.133  -1.723
  169    HB2  TYR  23           HB2      TYR  23 -16.398  17.010  -0.754
  170    HB3  TYR  23           HB3      TYR  23 -16.699  16.447  -2.396
  171    HD1  TYR  23           HD1      TYR  23 -18.625  14.261  -2.180
  172    HD2  TYR  23           HD2      TYR  23 -18.394  17.906   0.122
  173    HE1  TYR  23           HE1      TYR  23 -21.021  14.043  -1.603
  174    HE2  TYR  23           HE2      TYR  23 -20.796  17.714   0.663
  175    HH   TYR  23           HH       TYR  23 -22.814  14.970  -0.508
  176    H    GLU  24           H        GLU  24 -14.810  15.495  -3.221
  177    HA   GLU  24           HA       GLU  24 -12.225  14.386  -2.331
  178    HB2  GLU  24           HB2      GLU  24 -13.428  15.220  -5.001
  179    HB3  GLU  24           HB3      GLU  24 -11.679  15.122  -4.790
  180    HG2  GLU  24           HG2      GLU  24 -12.314  13.108  -5.769
  181    HG3  GLU  24           HG3      GLU  24 -11.875  12.750  -4.107
  182    H    ALA  25           H        ALA  25 -10.346  15.445  -2.423
  183    HA   ALA  25           HA       ALA  25 -10.419  18.369  -2.269
  184    HB1  ALA  25           HB1      ALA  25 -10.655  17.556   0.028
  185    HB2  ALA  25           HB2      ALA  25  -9.365  16.394  -0.174
  186    HB3  ALA  25           HB3      ALA  25  -8.991  18.104  -0.151
  187    H    LYS  26           H        LYS  26  -8.152  19.212  -2.788
  188    HA   LYS  26           HA       LYS  26  -6.165  17.144  -3.504
  189    HB2  LYS  26           HB2      LYS  26  -7.567  17.784  -5.569
  190    HB3  LYS  26           HB3      LYS  26  -6.879  19.385  -5.416
  191    HG2  LYS  26           HG2      LYS  26  -4.557  18.097  -5.416
  192    HG3  LYS  26           HG3      LYS  26  -5.526  16.713  -5.967
  193    HD2  LYS  26           HD2      LYS  26  -4.515  17.882  -7.856
  194    HD3  LYS  26           HD3      LYS  26  -6.287  18.041  -7.914
  195    HE2  LYS  26           HE2      LYS  26  -6.211  20.307  -7.111
  196    HE3  LYS  26           HE3      LYS  26  -4.519  20.153  -6.612
  197    HZ1  LYS  26           HZ1      LYS  26  -4.741  21.378  -8.671
  198    HZ2  LYS  26           HZ2      LYS  26  -3.845  20.049  -8.853
  199    HZ3  LYS  26           HZ3      LYS  26  -5.404  20.075  -9.441
  200    H    ILE  27           H        ILE  27  -4.699  17.701  -2.014
  201    HA   ILE  27           HA       ILE  27  -4.429  20.231  -0.766
  202    HB   ILE  27           HB       ILE  27  -2.540  17.843  -1.015
  203   HG12  ILE  27          HG12      ILE  27  -3.545  18.335   1.685
  204   HG13  ILE  27          HG13      ILE  27  -4.866  18.108   0.617
  205   HG21  ILE  27          HG21      ILE  27  -1.238  19.841  -0.419
  206   HG22  ILE  27          HG22      ILE  27  -2.435  20.248   0.841
  207   HG23  ILE  27          HG23      ILE  27  -1.401  18.802   0.994
  208   HD11  ILE  27          HD11      ILE  27  -2.503  16.185   1.047
  209   HD12  ILE  27          HD12      ILE  27  -4.157  16.060   1.739
  210   HD13  ILE  27          HD13      ILE  27  -3.853  15.846  -0.029
  211    H    LEU  28           H        LEU  28  -3.495  22.108  -1.566
  212    HA   LEU  28           HA       LEU  28  -1.177  21.874  -3.435
  213    HB2  LEU  28           HB2      LEU  28  -3.132  22.594  -4.626
  214    HB3  LEU  28           HB3      LEU  28  -3.643  23.681  -3.346
  215    HG   LEU  28           HG       LEU  28  -1.125  24.192  -4.988
  216   HD11  LEU  28          HD11      LEU  28  -3.112  23.962  -6.416
  217   HD12  LEU  28          HD12      LEU  28  -4.024  25.049  -5.352
  218   HD13  LEU  28          HD13      LEU  28  -2.658  25.675  -6.324
  219   HD21  LEU  28          HD21      LEU  28  -2.857  26.076  -3.256
  220   HD22  LEU  28          HD22      LEU  28  -1.146  25.701  -3.051
  221   HD23  LEU  28          HD23      LEU  28  -1.651  26.624  -4.430
  222    H    LYS  29           H        LYS  29  -2.799  24.009  -1.053
  223    HA   LYS  29           HA       LYS  29  -0.097  25.132  -0.413
  224    HB2  LYS  29           HB2      LYS  29  -2.680  26.384  -0.913
  225    HB3  LYS  29           HB3      LYS  29  -2.189  26.699   0.757
  226    HG2  LYS  29           HG2      LYS  29  -0.251  27.868   0.047
  227    HG3  LYS  29           HG3      LYS  29  -0.310  27.127  -1.561
  228    HD2  LYS  29           HD2      LYS  29  -0.952  29.497  -1.612
  229    HD3  LYS  29           HD3      LYS  29  -2.192  28.405  -2.247
  230    HE2  LYS  29           HE2      LYS  29  -3.455  28.516  -0.152
  231    HE3  LYS  29           HE3      LYS  29  -2.134  29.503   0.565
  232    HZ1  LYS  29           HZ1      LYS  29  -2.621  31.159  -1.225
  233    HZ2  LYS  29           HZ2      LYS  29  -3.981  30.327  -1.604
  234    HZ3  LYS  29           HZ3      LYS  29  -3.804  31.052  -0.143
  235    H    ILE  30           H        ILE  30   0.641  24.628   1.624
  236    HA   ILE  30           HA       ILE  30  -1.386  23.537   3.461
  237    HB   ILE  30           HB       ILE  30  -0.152  21.785   4.296
  238   HG12  ILE  30          HG12      ILE  30   2.184  22.689   4.036
  239   HG13  ILE  30          HG13      ILE  30   1.955  20.971   3.731
  240   HG21  ILE  30          HG21      ILE  30  -0.206  20.265   2.420
  241   HG22  ILE  30          HG22      ILE  30  -1.534  21.471   2.352
  242   HG23  ILE  30          HG23      ILE  30  -0.172  21.610   1.257
  243   HD11  ILE  30          HD11      ILE  30   2.052  23.038   1.522
  244   HD12  ILE  30          HD12      ILE  30   3.439  22.056   2.079
  245   HD13  ILE  30          HD13      ILE  30   2.017  21.272   1.352
  246    H    TRP  31           H        TRP  31  -0.769  23.459   5.487
  247    HA   TRP  31           HA       TRP  31   0.801  25.867   6.409
  248    HB2  TRP  31           HB2      TRP  31  -1.311  26.806   6.053
  249    HB3  TRP  31           HB3      TRP  31  -2.145  25.349   6.522
  250    HD1  TRP  31           HD1      TRP  31  -2.159  24.845   9.313
  251    HE1  TRP  31           HE1      TRP  31  -2.609  26.520  11.183
  252    HE3  TRP  31           HE3      TRP  31  -0.881  29.156   6.859
  253    HZ2  TRP  31           HZ2      TRP  31  -2.574  29.377  11.521
  254    HZ3  TRP  31           HZ3      TRP  31  -1.173  31.342   7.979
  255    HH2  TRP  31           HH2      TRP  31  -2.057  31.460  10.317
  256    H    ASP  32           H        ASP  32   1.285  25.900   8.596
  257    HA   ASP  32           HA       ASP  32   1.106  23.321  10.028
  258    HB2  ASP  32           HB2      ASP  32   3.158  23.528   8.438
  259    HB3  ASP  32           HB3      ASP  32   3.767  24.718   9.588
  260    HA   PRO  33           HA       PRO  33   0.468  26.466  13.129
  261    HB2  PRO  33           HB2      PRO  33   1.076  24.294  15.135
  262    HB3  PRO  33           HB3      PRO  33  -0.337  25.401  15.057
  263    HG2  PRO  33           HG2      PRO  33  -0.534  22.801  14.258
  264    HG3  PRO  33           HG3      PRO  33  -1.346  24.123  13.367
  265    HD2  PRO  33           HD2      PRO  33   1.155  22.697  12.636
  266    HD3  PRO  33           HD3      PRO  33  -0.243  23.251  11.642
  267    H    SER  34           H        SER  34   3.410  24.793  12.712
  268    HA   SER  34           HA       SER  34   4.890  25.673  15.021
  269    HB2  SER  34           HB2      SER  34   5.969  24.891  12.280
  270    HB3  SER  34           HB3      SER  34   6.855  24.916  13.816
  271    HG   SER  34           HG       SER  34   4.841  23.172  12.886
  272    H    SER  35           H        SER  35   4.082  27.150  11.947
  273    HA   SER  35           HA       SER  35   5.464  29.656  12.798
  274    HB2  SER  35           HB2      SER  35   5.131  28.671   9.939
  275    HB3  SER  35           HB3      SER  35   6.008  30.109  10.489
  276    HG   SER  35           HG       SER  35   7.414  28.334  10.067
  277    H    LYS  36           H        LYS  36   2.486  28.112  11.816
  278    HA   LYS  36           HA       LYS  36   0.573  28.800  11.028
  279    HB2  LYS  36           HB2      LYS  36   1.049  31.024  13.008
  280    HB3  LYS  36           HB3      LYS  36  -0.447  30.934  12.103
  281    HG2  LYS  36           HG2      LYS  36  -1.117  28.845  12.990
  282    HG3  LYS  36           HG3      LYS  36   0.500  28.466  13.555
  283    HD2  LYS  36           HD2      LYS  36  -1.164  30.698  14.760
  284    HD3  LYS  36           HD3      LYS  36  -1.034  29.045  15.419
  285    HE2  LYS  36           HE2      LYS  36   1.466  29.295  15.438
  286    HE3  LYS  36           HE3      LYS  36   1.290  30.971  14.935
  287    HZ1  LYS  36           HZ1      LYS  36   0.237  29.855  17.472
  288    HZ2  LYS  36           HZ2      LYS  36   1.543  30.821  17.327
  289    HZ3  LYS  36           HZ3      LYS  36   0.061  31.411  16.991
  290    H    MET  37           H        MET  37   2.306  29.127   9.254
  291    HA   MET  37           HA       MET  37   1.188  31.156   7.532
  292    HB2  MET  37           HB2      MET  37   4.184  30.781   7.907
  293    HB3  MET  37           HB3      MET  37   3.427  31.652   6.564
  294    HG2  MET  37           HG2      MET  37   2.351  33.183   8.292
  295    HG3  MET  37           HG3      MET  37   3.385  32.411   9.494
  296    HE1  MET  37           HE1      MET  37   6.862  33.297   7.436
  297    HE2  MET  37           HE2      MET  37   6.099  32.025   8.471
  298    HE3  MET  37           HE3      MET  37   5.642  32.205   6.780
  299    H    TYR  38           H        TYR  38   1.869  30.418   5.241
  300    HA   TYR  38           HA       TYR  38   1.464  27.480   5.253
  301    HB2  TYR  38           HB2      TYR  38   0.177  27.859   3.226
  302    HB3  TYR  38           HB3      TYR  38  -0.377  28.829   4.598
  303    HD1  TYR  38           HD1      TYR  38   1.530  29.016   1.388
  304    HD2  TYR  38           HD2      TYR  38  -0.254  31.126   4.671
  305    HE1  TYR  38           HE1      TYR  38   1.819  31.103   0.133
  306    HE2  TYR  38           HE2      TYR  38   0.196  33.282   3.512
  307    HH   TYR  38           HH       TYR  38   1.037  34.322   1.698
  308    H    THR  39           H        THR  39   1.851  26.921   2.593
  309    HA   THR  39           HA       THR  39   4.439  27.551   1.570
  310    HB   THR  39           HB       THR  39   5.080  25.027   1.746
  311    HG1  THR  39           HG1      THR  39   3.001  25.197   3.549
  312   HG21  THR  39          HG21      THR  39   6.240  26.986   2.942
  313   HG22  THR  39          HG22      THR  39   5.365  26.448   4.393
  314   HG23  THR  39          HG23      THR  39   6.492  25.346   3.580
  315    H    SER  40           H        SER  40   4.640  26.275  -0.488
  316    HA   SER  40           HA       SER  40   2.381  24.618  -1.392
  317    HB2  SER  40           HB2      SER  40   1.748  27.162  -1.613
  318    HB3  SER  40           HB3      SER  40   2.912  27.086  -2.943
  319    HG   SER  40           HG       SER  40   0.804  25.224  -2.742
  320    H    ILE  41           H        ILE  41   2.790  24.070  -3.742
  321    HA   ILE  41           HA       ILE  41   5.559  24.487  -4.599
  322    HB   ILE  41           HB       ILE  41   5.618  22.080  -5.409
  323   HG12  ILE  41          HG12      ILE  41   4.389  20.401  -4.179
  324   HG13  ILE  41          HG13      ILE  41   3.380  21.626  -3.403
  325   HG21  ILE  41          HG21      ILE  41   6.450  21.272  -3.274
  326   HG22  ILE  41          HG22      ILE  41   6.948  22.941  -3.561
  327   HG23  ILE  41          HG23      ILE  41   5.635  22.596  -2.421
  328   HD11  ILE  41          HD11      ILE  41   2.146  22.001  -5.308
  329   HD12  ILE  41          HD12      ILE  41   3.455  21.481  -6.396
  330   HD13  ILE  41          HD13      ILE  41   2.510  20.280  -5.478
  331    HA   PRO  42           HA       PRO  42   3.606  25.478  -8.503
  332    HB2  PRO  42           HB2      PRO  42   5.773  25.452 -10.156
  333    HB3  PRO  42           HB3      PRO  42   5.612  26.662  -8.847
  334    HG2  PRO  42           HG2      PRO  42   7.029  23.952  -8.677
  335    HG3  PRO  42           HG3      PRO  42   7.770  25.535  -8.371
  336    HD2  PRO  42           HD2      PRO  42   6.768  24.175  -6.301
  337    HD3  PRO  42           HD3      PRO  42   6.229  25.902  -6.423
  338    H    ASN  43           H        ASN  43   4.943  22.386  -7.823
  339    HA   ASN  43           HA       ASN  43   4.760  21.133 -10.381
  340    HB2  ASN  43           HB2      ASN  43   6.105  20.304  -8.436
  341    HB3  ASN  43           HB3      ASN  43   4.606  19.892  -7.592
  342   HD21  ASN  43          HD21      ASN  43   6.287  19.268 -10.769
  343   HD22  ASN  43          HD22      ASN  43   5.770  17.605 -10.869
  344    H    ASP  44           H        ASP  44   2.229  22.381  -8.549
  345    HA   ASP  44           HA       ASP  44   0.237  20.595  -9.826
  346    HB2  ASP  44           HB2      ASP  44   0.484  19.911  -7.459
  347    HB3  ASP  44           HB3      ASP  44   0.177  21.580  -6.953
  348    H    LYS  45           H        LYS  45  -1.945  21.702  -9.776
  349    HA   LYS  45           HA       LYS  45  -1.607  24.571 -10.557
  350    HB2  LYS  45           HB2      LYS  45  -3.502  22.475 -11.728
  351    HB3  LYS  45           HB3      LYS  45  -3.291  24.139 -12.277
  352    HG2  LYS  45           HG2      LYS  45  -0.924  23.576 -12.906
  353    HG3  LYS  45           HG3      LYS  45  -1.231  21.890 -12.443
  354    HD2  LYS  45           HD2      LYS  45  -3.063  21.776 -14.132
  355    HD3  LYS  45           HD3      LYS  45  -2.695  23.446 -14.618
  356    HE2  LYS  45           HE2      LYS  45  -0.380  22.751 -15.203
  357    HE3  LYS  45           HE3      LYS  45  -0.754  21.090 -14.722
  358    HZ1  LYS  45           HZ1      LYS  45  -2.412  21.027 -16.490
  359    HZ2  LYS  45           HZ2      LYS  45  -2.043  22.558 -16.948
  360    HZ3  LYS  45           HZ3      LYS  45  -0.938  21.366 -17.100
  361    HA   PRO  46           HA       PRO  46  -4.923  25.348  -7.556
  362    HB2  PRO  46           HB2      PRO  46  -5.804  27.295  -9.692
  363    HB3  PRO  46           HB3      PRO  46  -5.729  27.528  -7.917
  364    HG2  PRO  46           HG2      PRO  46  -3.761  28.526  -9.492
  365    HG3  PRO  46           HG3      PRO  46  -3.349  27.711  -7.955
  366    HD2  PRO  46           HD2      PRO  46  -3.172  26.607 -10.764
  367    HD3  PRO  46           HD3      PRO  46  -2.065  26.397  -9.373
  368    H    GLY  47           H        GLY  47  -5.804  25.250 -11.063
  369    HA2  GLY  47           HA2      GLY  47  -7.541  23.172 -11.200
  370    HA3  GLY  47           HA3      GLY  47  -8.515  24.429 -10.405
  371    H    GLY  48           H        GLY  48  -7.243  26.668 -11.809
  372    HA2  GLY  48           HA2      GLY  48  -8.065  26.288 -14.643
  373    HA3  GLY  48           HA3      GLY  48  -8.836  27.523 -13.636
  374    H    SER  49           H        SER  49  -5.411  26.629 -13.376
  375    HA   SER  49           HA       SER  49  -4.465  28.982 -14.860
  376    HB2  SER  49           HB2      SER  49  -3.649  28.447 -11.967
  377    HB3  SER  49           HB3      SER  49  -3.085  29.755 -13.012
  378    HG   SER  49           HG       SER  49  -4.697  30.486 -11.579
  379    H    SER  50           H        SER  50  -2.192  28.689 -15.433
  380    HA   SER  50           HA       SER  50  -1.666  26.112 -16.282
  381    HB2  SER  50           HB2      SER  50   0.398  28.318 -15.931
  382    HB3  SER  50           HB3      SER  50   0.385  27.024 -17.143
  383    HG   SER  50           HG       SER  50  -0.383  29.008 -18.005
  384    H    GLN  51           H        GLN  51  -0.624  27.606 -13.226
  385    HA   GLN  51           HA       GLN  51   0.250  25.182 -12.040
  386    HB2  GLN  51           HB2      GLN  51   2.607  25.720 -11.753
  387    HB3  GLN  51           HB3      GLN  51   2.297  25.702 -13.482
  388    HG2  GLN  51           HG2      GLN  51   2.131  28.221 -13.422
  389    HG3  GLN  51           HG3      GLN  51   2.462  28.164 -11.691
  390   HE21  GLN  51          HE21      GLN  51   4.568  27.768 -10.954
  391   HE22  GLN  51          HE22      GLN  51   5.971  27.728 -12.028
  392    H    ALA  52           H        ALA  52   1.647  26.160 -10.081
  393    HA   ALA  52           HA       ALA  52   0.320  28.524  -8.820
  394    HB1  ALA  52           HB1      ALA  52   1.152  27.430  -6.693
  395    HB2  ALA  52           HB2      ALA  52  -0.057  26.418  -7.566
  396    HB3  ALA  52           HB3      ALA  52   1.684  26.067  -7.689
  397    H    THR  53           H        THR  53   1.982  29.774  -7.472
  398    HA   THR  53           HA       THR  53   4.315  30.315  -8.921
  399    HB   THR  53           HB       THR  53   3.796  30.868  -5.967
  400    HG1  THR  53           HG1      THR  53   2.912  32.314  -8.253
  401   HG21  THR  53          HG21      THR  53   5.501  32.213  -8.092
  402   HG22  THR  53          HG22      THR  53   5.084  32.984  -6.535
  403   HG23  THR  53          HG23      THR  53   6.025  31.482  -6.570
  404    H    LYS  54           H        LYS  54   6.488  30.025  -8.377
  405    HA   LYS  54           HA       LYS  54   7.362  27.439  -7.770
  406    HB2  LYS  54           HB2      LYS  54   8.855  30.071  -7.705
  407    HB3  LYS  54           HB3      LYS  54   9.623  28.495  -7.410
  408    HG2  LYS  54           HG2      LYS  54   8.945  27.646  -9.550
  409    HG3  LYS  54           HG3      LYS  54   8.127  29.162  -9.973
  410    HD2  LYS  54           HD2      LYS  54  10.144  30.385 -10.141
  411    HD3  LYS  54           HD3      LYS  54  11.053  29.226  -9.134
  412    HE2  LYS  54           HE2      LYS  54  10.835  27.507 -10.811
  413    HE3  LYS  54           HE3      LYS  54   9.905  28.596 -11.869
  414    HZ1  LYS  54           HZ1      LYS  54  12.738  28.990 -11.071
  415    HZ2  LYS  54           HZ2      LYS  54  12.224  28.510 -12.539
  416    HZ3  LYS  54           HZ3      LYS  54  11.875  30.015 -12.018
  417    H    GLU  55           H        GLU  55   8.647  26.659  -6.101
  418    HA   GLU  55           HA       GLU  55   7.449  26.029  -3.949
  419    HB2  GLU  55           HB2      GLU  55  10.419  26.638  -3.987
  420    HB3  GLU  55           HB3      GLU  55   9.592  25.671  -2.748
  421    HG2  GLU  55           HG2      GLU  55   8.874  24.044  -4.474
  422    HG3  GLU  55           HG3      GLU  55   9.657  25.001  -5.731
  423    H    ILE  56           H        ILE  56   6.130  27.261  -2.803
  424    HA   ILE  56           HA       ILE  56   6.748  30.016  -2.420
  425    HB   ILE  56           HB       ILE  56   4.388  28.531  -1.263
  426   HG12  ILE  56          HG12      ILE  56   4.760  30.087  -3.877
  427   HG13  ILE  56          HG13      ILE  56   4.534  28.347  -3.738
  428   HG21  ILE  56          HG21      ILE  56   5.059  31.491  -1.620
  429   HG22  ILE  56          HG22      ILE  56   3.430  30.919  -1.301
  430   HG23  ILE  56          HG23      ILE  56   4.680  30.631  -0.107
  431   HD11  ILE  56          HD11      ILE  56   2.520  30.518  -3.525
  432   HD12  ILE  56          HD12      ILE  56   2.448  28.866  -4.221
  433   HD13  ILE  56          HD13      ILE  56   2.283  29.133  -2.439
  434    H    LYS  57           H        LYS  57   7.673  30.998  -0.733
  435    HA   LYS  57           HA       LYS  57   8.842  29.469   1.483
  436    HB2  LYS  57           HB2      LYS  57   8.855  32.397   0.607
  437    HB3  LYS  57           HB3      LYS  57   9.452  31.902   2.179
  438    HG2  LYS  57           HG2      LYS  57  11.278  32.196   0.561
  439    HG3  LYS  57           HG3      LYS  57  11.217  30.557   1.223
  440    HD2  LYS  57           HD2      LYS  57  10.227  29.696  -0.806
  441    HD3  LYS  57           HD3      LYS  57  10.062  31.331  -1.486
  442    HE2  LYS  57           HE2      LYS  57  12.537  31.543  -1.489
  443    HE3  LYS  57           HE3      LYS  57  12.668  29.907  -0.810
  444    HZ1  LYS  57           HZ1      LYS  57  11.504  29.107  -2.820
  445    HZ2  LYS  57           HZ2      LYS  57  11.540  30.611  -3.455
  446    HZ3  LYS  57           HZ3      LYS  57  12.940  29.813  -3.177
  447    HA   PRO  58           HA       PRO  58   5.275  30.381   3.998
  448    HB2  PRO  58           HB2      PRO  58   7.301  30.815   6.204
  449    HB3  PRO  58           HB3      PRO  58   5.798  29.825   6.256
  450    HG2  PRO  58           HG2      PRO  58   8.260  28.686   6.049
  451    HG3  PRO  58           HG3      PRO  58   6.884  28.060   5.084
  452    HD2  PRO  58           HD2      PRO  58   9.060  29.971   4.234
  453    HD3  PRO  58           HD3      PRO  58   8.383  28.538   3.369
  454    H    GLN  59           H        GLN  59   4.245  32.218   4.139
  455    HA   GLN  59           HA       GLN  59   5.597  34.716   4.866
  456    HB2  GLN  59           HB2      GLN  59   5.833  34.493   2.384
  457    HB3  GLN  59           HB3      GLN  59   4.089  34.305   2.238
  458    HG2  GLN  59           HG2      GLN  59   4.841  36.562   1.624
  459    HG3  GLN  59           HG3      GLN  59   3.728  36.610   2.980
  460   HE21  GLN  59          HE21      GLN  59   7.038  37.264   1.939
  461   HE22  GLN  59          HE22      GLN  59   7.581  37.979   3.444
  462    H    LYS  60           H        LYS  60   4.100  36.238   5.599
  463    HA   LYS  60           HA       LYS  60   1.736  35.460   6.876
  464    HB2  LYS  60           HB2      LYS  60   2.581  38.152   5.742
  465    HB3  LYS  60           HB3      LYS  60   1.102  37.927   6.693
  466    HG2  LYS  60           HG2      LYS  60   2.439  37.035   8.594
  467    HG3  LYS  60           HG3      LYS  60   3.918  37.217   7.658
  468    HD2  LYS  60           HD2      LYS  60   3.768  39.077   9.186
  469    HD3  LYS  60           HD3      LYS  60   3.585  39.663   7.535
  470    HE2  LYS  60           HE2      LYS  60   2.019  40.849   8.897
  471    HE3  LYS  60           HE3      LYS  60   1.094  39.754   7.870
  472    HZ1  LYS  60           HZ1      LYS  60   0.319  39.739  10.153
  473    HZ2  LYS  60           HZ2      LYS  60   0.901  38.257   9.789
  474    HZ3  LYS  60           HZ3      LYS  60   1.772  39.278  10.720
  475    H    LEU  61           H        LEU  61  -0.454  35.722   6.387
  476    HA   LEU  61           HA       LEU  61  -1.130  35.250   3.529
  477    HB2  LEU  61           HB2      LEU  61  -2.178  33.295   4.123
  478    HB3  LEU  61           HB3      LEU  61  -0.892  33.285   5.300
  479    HG   LEU  61           HG       LEU  61  -3.663  34.294   6.081
  480   HD11  LEU  61          HD11      LEU  61  -2.429  31.544   5.939
  481   HD12  LEU  61          HD12      LEU  61  -3.808  31.994   7.004
  482   HD13  LEU  61          HD13      LEU  61  -3.954  32.128   5.244
  483   HD21  LEU  61          HD21      LEU  61  -2.712  33.611   8.326
  484   HD22  LEU  61          HD22      LEU  61  -1.116  33.496   7.542
  485   HD23  LEU  61          HD23      LEU  61  -1.970  35.046   7.610
  486    H    GLY  62           H        GLY  62  -3.740  34.971   3.526
  487    HA2  GLY  62           HA2      GLY  62  -5.773  35.703   4.315
  488    HA3  GLY  62           HA3      GLY  62  -5.031  37.020   5.228
  489    H    GLU  63           H        GLU  63  -4.312  36.319   1.811
  490    HA   GLU  63           HA       GLU  63  -5.298  38.958   0.989
  491    HB2  GLU  63           HB2      GLU  63  -4.688  38.248  -1.270
  492    HB3  GLU  63           HB3      GLU  63  -3.346  38.132  -0.133
  493    HG2  GLU  63           HG2      GLU  63  -3.620  35.684  -0.013
  494    HG3  GLU  63           HG3      GLU  63  -5.025  35.769  -1.089
  495    H    ASP  64           H        ASP  64  -6.391  35.565   1.087
  496    HA   ASP  64           HA       ASP  64  -9.165  36.423   0.629
  497    HB2  ASP  64           HB2      ASP  64  -8.123  36.249  -1.696
  498    HB3  ASP  64           HB3      ASP  64  -7.821  34.550  -1.373
  499    H    GLU  65           H        GLU  65  -6.966  34.238   2.113
  500    HA   GLU  65           HA       GLU  65  -9.053  32.117   2.292
  501    HB2  GLU  65           HB2      GLU  65  -7.274  30.512   2.070
  502    HB3  GLU  65           HB3      GLU  65  -7.117  31.649   0.735
  503    HG2  GLU  65           HG2      GLU  65  -5.502  31.848   3.315
  504    HG3  GLU  65           HG3      GLU  65  -5.039  30.887   1.918
  505    H    SER  66           H        SER  66  -7.858  34.329   4.294
  506    HA   SER  66           HA       SER  66  -6.361  33.427   6.294
  507    HB2  SER  66           HB2      SER  66  -8.989  34.717   6.977
  508    HB3  SER  66           HB3      SER  66  -7.448  34.799   7.848
  509    HG   SER  66           HG       SER  66  -7.911  36.702   6.543
  510    H    ILE  67           H        ILE  67  -6.197  31.586   7.449
  511    HA   ILE  67           HA       ILE  67  -8.300  29.746   7.403
  512    HB   ILE  67           HB       ILE  67  -6.624  29.073   9.532
  513   HG12  ILE  67          HG12      ILE  67  -4.772  30.572   8.747
  514   HG13  ILE  67          HG13      ILE  67  -4.446  28.876   8.897
  515   HG21  ILE  67          HG21      ILE  67  -5.938  27.255   8.181
  516   HG22  ILE  67          HG22      ILE  67  -7.689  27.563   8.212
  517   HG23  ILE  67          HG23      ILE  67  -6.732  28.096   6.778
  518   HD11  ILE  67          HD11      ILE  67  -5.125  30.165   6.269
  519   HD12  ILE  67          HD12      ILE  67  -3.491  29.801   6.878
  520   HD13  ILE  67          HD13      ILE  67  -4.558  28.477   6.556
  521    HA   PRO  68           HA       PRO  68 -10.578  30.852  11.187
  522    HB2  PRO  68           HB2      PRO  68 -11.372  27.945  11.126
  523    HB3  PRO  68           HB3      PRO  68 -12.413  29.388  11.297
  524    HG2  PRO  68           HG2      PRO  68 -12.284  28.029   8.941
  525    HG3  PRO  68           HG3      PRO  68 -12.329  29.819   8.957
  526    HD2  PRO  68           HD2      PRO  68  -9.930  28.011   8.640
  527    HD3  PRO  68           HD3      PRO  68 -10.379  29.489   7.724
  528    H    GLU  69           H        GLU  69  -9.956  30.699  13.351
  529    HA   GLU  69           HA       GLU  69  -7.641  29.481  14.209
  530    HB2  GLU  69           HB2      GLU  69 -10.015  30.071  15.997
  531    HB3  GLU  69           HB3      GLU  69  -8.312  29.933  16.444
  532    HG2  GLU  69           HG2      GLU  69  -8.405  32.189  16.361
  533    HG3  GLU  69           HG3      GLU  69  -8.018  31.913  14.670
  534    H    GLU  70           H        GLU  70 -10.805  28.067  13.943
  535    HA   GLU  70           HA       GLU  70 -10.753  25.888  15.675
  536    HB2  GLU  70           HB2      GLU  70 -11.942  26.091  12.868
  537    HB3  GLU  70           HB3      GLU  70 -12.375  24.865  14.057
  538    HG2  GLU  70           HG2      GLU  70 -12.840  27.870  14.341
  539    HG3  GLU  70           HG3      GLU  70 -14.055  26.669  13.935
  540    H    ILE  71           H        ILE  71  -9.311  26.160  12.408
  541    HA   ILE  71           HA       ILE  71  -8.386  23.331  12.621
  542    HB   ILE  71           HB       ILE  71  -8.076  23.418  10.209
  543   HG12  ILE  71          HG12      ILE  71  -9.477  26.131  10.208
  544   HG13  ILE  71          HG13      ILE  71  -7.760  25.894   9.877
  545   HG21  ILE  71          HG21      ILE  71 -10.216  22.697  11.370
  546   HG22  ILE  71          HG22      ILE  71 -10.890  24.294  10.962
  547   HG23  ILE  71          HG23      ILE  71 -10.410  23.169   9.677
  548   HD11  ILE  71          HD11      ILE  71  -9.036  26.079   7.741
  549   HD12  ILE  71          HD12      ILE  71  -8.352  24.459   7.910
  550   HD13  ILE  71          HD13      ILE  71 -10.081  24.769   8.228
  551    H    ILE  72           H        ILE  72  -7.241  26.538  12.843
  552    HA   ILE  72           HA       ILE  72  -4.827  26.483  11.577
  553    HB   ILE  72           HB       ILE  72  -6.315  28.062  13.550
  554   HG12  ILE  72          HG12      ILE  72  -4.593  28.410  11.112
  555   HG13  ILE  72          HG13      ILE  72  -6.346  28.353  11.323
  556   HG21  ILE  72          HG21      ILE  72  -4.378  27.952  14.994
  557   HG22  ILE  72          HG22      ILE  72  -3.358  28.608  13.666
  558   HG23  ILE  72          HG23      ILE  72  -4.695  29.557  14.366
  559   HD11  ILE  72          HD11      ILE  72  -5.498  30.564  10.811
  560   HD12  ILE  72          HD12      ILE  72  -6.250  30.499  12.452
  561   HD13  ILE  72          HD13      ILE  72  -4.460  30.497  12.241
  562    H    ASN  73           H        ASN  73  -5.541  25.132  14.597
  563    HA   ASN  73           HA       ASN  73  -2.794  24.907  15.597
  564    HB2  ASN  73           HB2      ASN  73  -4.002  23.881  17.500
  565    HB3  ASN  73           HB3      ASN  73  -4.750  25.426  17.023
  566   HD21  ASN  73          HD21      ASN  73  -6.957  25.427  16.222
  567   HD22  ASN  73          HD22      ASN  73  -7.863  23.967  15.997
  568    H    GLY  74           H        GLY  74  -4.182  23.479  13.203
  569    HA2  GLY  74           HA2      GLY  74  -2.707  20.919  13.563
  570    HA3  GLY  74           HA3      GLY  74  -4.324  20.881  12.826
  571    H    LYS  75           H        LYS  75  -2.354  20.107  11.336
  572    HA   LYS  75           HA       LYS  75  -1.261  22.221   9.648
  573    HB2  LYS  75           HB2      LYS  75  -1.827  19.299   9.013
  574    HB3  LYS  75           HB3      LYS  75  -1.124  20.476   7.873
  575    HG2  LYS  75           HG2      LYS  75   0.650  20.849   9.709
  576    HG3  LYS  75           HG3      LYS  75   0.036  19.316  10.374
  577    HD2  LYS  75           HD2      LYS  75   2.030  18.915   9.075
  578    HD3  LYS  75           HD3      LYS  75   0.640  18.185   8.259
  579    HE2  LYS  75           HE2      LYS  75   2.217  19.275   6.697
  580    HE3  LYS  75           HE3      LYS  75   0.596  19.980   6.607
  581    HZ1  LYS  75           HZ1      LYS  75   2.564  21.554   6.701
  582    HZ2  LYS  75           HZ2      LYS  75   1.331  21.871   7.743
  583    HZ3  LYS  75           HZ3      LYS  75   2.721  21.163   8.292
  584    H    CYS  76           H        CYS  76  -2.183  22.994   7.736
  585    HA   CYS  76           HA       CYS  76  -5.070  22.285   7.388
  586    HB2  CYS  76           HB2      CYS  76  -4.039  25.136   7.176
  587    HB3  CYS  76           HB3      CYS  76  -5.641  24.562   6.745
  588    HG   CYS  76           HG       CYS  76  -4.192  24.147   9.706
  589    H    PHE  77           H        PHE  77  -5.742  22.184   5.323
  590    HA   PHE  77           HA       PHE  77  -3.605  22.113   3.232
  591    HB2  PHE  77           HB2      PHE  77  -5.875  20.120   3.673
  592    HB3  PHE  77           HB3      PHE  77  -4.606  20.062   2.457
  593    HD1  PHE  77           HD1      PHE  77  -2.269  19.686   3.174
  594    HD2  PHE  77           HD2      PHE  77  -5.496  19.526   5.949
  595    HE1  PHE  77           HE1      PHE  77  -0.641  19.027   5.022
  596    HE2  PHE  77           HE2      PHE  77  -3.956  18.631   7.699
  597    HZ   PHE  77           HZ       PHE  77  -1.557  18.213   7.144
  598    H    PHE  78           H        PHE  78  -4.123  23.821   2.091
  599    HA   PHE  78           HA       PHE  78  -6.814  24.743   1.423
  600    HB2  PHE  78           HB2      PHE  78  -4.693  26.198   1.496
  601    HB3  PHE  78           HB3      PHE  78  -4.196  25.306   0.072
  602    HD1  PHE  78           HD1      PHE  78  -7.079  27.296   1.433
  603    HD2  PHE  78           HD2      PHE  78  -4.791  26.172  -2.047
  604    HE1  PHE  78           HE1      PHE  78  -8.370  28.900   0.063
  605    HE2  PHE  78           HE2      PHE  78  -5.997  27.860  -3.382
  606    HZ   PHE  78           HZ       PHE  78  -7.771  29.267  -2.327
  607    H    ILE  79           H        ILE  79  -7.982  23.439   0.194
  608    HA   ILE  79           HA       ILE  79  -6.607  21.605  -1.683
  609    HB   ILE  79           HB       ILE  79  -8.545  20.070  -1.091
  610   HG12  ILE  79          HG12      ILE  79  -8.872  21.754   1.384
  611   HG13  ILE  79          HG13      ILE  79  -9.832  22.070  -0.057
  612   HG21  ILE  79          HG21      ILE  79  -6.777  19.159  -0.036
  613   HG22  ILE  79          HG22      ILE  79  -6.164  20.691   0.605
  614   HG23  ILE  79          HG23      ILE  79  -7.437  19.858   1.443
  615   HD11  ILE  79          HD11      ILE  79  -9.981  19.530   1.513
  616   HD12  ILE  79          HD12      ILE  79 -11.123  20.913   1.465
  617   HD13  ILE  79          HD13      ILE  79 -10.865  19.944   0.004
  618    H    HIS  80           H        HIS  80  -7.539  21.298  -3.709
  619    HA   HIS  80           HA       HIS  80  -9.737  23.173  -4.404
  620    HB2  HIS  80           HB2      HIS  80  -7.945  22.482  -6.069
  621    HB3  HIS  80           HB3      HIS  80  -8.752  20.886  -6.098
  622    HD2  HIS  80           HD2      HIS  80  -9.304  24.588  -7.049
  623    HE1  HIS  80           HE1      HIS  80 -12.528  22.409  -8.784
  624    HE2  HIS  80           HE2      HIS  80 -11.382  24.691  -8.629
  625    H    TYR  81           H        TYR  81 -11.735  22.615  -3.796
  626    HA   TYR  81           HA       TYR  81 -12.376  19.883  -2.912
  627    HB2  TYR  81           HB2      TYR  81 -13.948  22.438  -3.023
  628    HB3  TYR  81           HB3      TYR  81 -14.769  20.914  -2.877
  629    HD1  TYR  81           HD1      TYR  81 -13.464  19.275  -1.038
  630    HD2  TYR  81           HD2      TYR  81 -13.812  23.555  -0.859
  631    HE1  TYR  81           HE1      TYR  81 -13.779  19.137   1.412
  632    HE2  TYR  81           HE2      TYR  81 -14.112  23.448   1.584
  633    HH   TYR  81           HH       TYR  81 -14.270  20.330   3.367
  634    H    GLN  82           H        GLN  82 -12.406  18.453  -4.555
  635    HA   GLN  82           HA       GLN  82 -13.126  19.343  -7.278
  636    HB2  GLN  82           HB2      GLN  82 -12.291  16.557  -6.455
  637    HB3  GLN  82           HB3      GLN  82 -12.275  17.276  -8.058
  638    HG2  GLN  82           HG2      GLN  82 -10.484  18.871  -7.269
  639    HG3  GLN  82           HG3      GLN  82 -10.474  18.027  -5.721
  640   HE21  GLN  82          HE21      GLN  82  -9.518  15.980  -5.529
  641   HE22  GLN  82          HE22      GLN  82  -8.563  15.283  -6.823
  642    H    GLY  83           H        GLY  83 -14.646  18.040  -8.586
  643    HA2  GLY  83           HA2      GLY  83 -16.712  17.035  -8.932
  644    HA3  GLY  83           HA3      GLY  83 -16.762  16.543  -7.227
  645    H    TRP  84           H        TRP  84 -16.032  19.806  -7.191
  646    HA   TRP  84           HA       TRP  84 -18.855  20.691  -7.266
  647    HB2  TRP  84           HB2      TRP  84 -17.005  21.061  -4.863
  648    HB3  TRP  84           HB3      TRP  84 -18.629  21.745  -5.073
  649    HD1  TRP  84           HD1      TRP  84 -17.075  18.850  -3.480
  650    HE1  TRP  84           HE1      TRP  84 -18.935  17.242  -2.717
  651    HE3  TRP  84           HE3      TRP  84 -20.929  20.719  -6.240
  652    HZ2  TRP  84           HZ2      TRP  84 -21.748  16.956  -3.121
  653    HZ3  TRP  84           HZ3      TRP  84 -23.231  19.759  -6.043
  654    HH2  TRP  84           HH2      TRP  84 -23.656  17.878  -4.463
  655    H    LYS  85           H        LYS  85 -18.792  23.204  -6.688
  656    HA   LYS  85           HA       LYS  85 -17.806  24.351  -9.075
  657    HB2  LYS  85           HB2      LYS  85 -18.568  25.758  -6.479
  658    HB3  LYS  85           HB3      LYS  85 -18.442  26.511  -8.066
  659    HG2  LYS  85           HG2      LYS  85 -20.517  24.443  -7.189
  660    HG3  LYS  85           HG3      LYS  85 -20.740  26.167  -7.429
  661    HD2  LYS  85           HD2      LYS  85 -21.649  25.372  -9.356
  662    HD3  LYS  85           HD3      LYS  85 -20.006  25.723  -9.910
  663    HE2  LYS  85           HE2      LYS  85 -19.435  23.293  -9.629
  664    HE3  LYS  85           HE3      LYS  85 -21.073  22.983  -9.041
  665    HZ1  LYS  85           HZ1      LYS  85 -20.860  22.445 -11.374
  666    HZ2  LYS  85           HZ2      LYS  85 -21.910  23.678 -11.208
  667    HZ3  LYS  85           HZ3      LYS  85 -20.395  23.962 -11.760
  668    H    SER  86           H        SER  86 -15.943  25.309  -9.653
  669    HA   SER  86           HA       SER  86 -13.596  24.876  -8.308
  670    HB2  SER  86           HB2      SER  86 -14.122  27.105 -10.310
  671    HB3  SER  86           HB3      SER  86 -12.584  26.274 -10.019
  672    HG   SER  86           HG       SER  86 -13.668  25.431 -11.855
  673    H    SER  87           H        SER  87 -15.803  27.560  -7.704
  674    HA   SER  87           HA       SER  87 -14.038  29.392  -6.496
  675    HB2  SER  87           HB2      SER  87 -16.884  28.785  -5.610
  676    HB3  SER  87           HB3      SER  87 -16.013  30.328  -5.520
  677    HG   SER  87           HG       SER  87 -17.464  30.277  -7.294
  678    H    TRP  88           H        TRP  88 -15.141  26.247  -5.346
  679    HA   TRP  88           HA       TRP  88 -14.692  26.724  -2.535
  680    HB2  TRP  88           HB2      TRP  88 -15.208  24.216  -4.179
  681    HB3  TRP  88           HB3      TRP  88 -14.999  24.253  -2.449
  682    HD1  TRP  88           HD1      TRP  88 -17.342  26.796  -4.107
  683    HE1  TRP  88           HE1      TRP  88 -19.647  26.417  -3.106
  684    HE3  TRP  88           HE3      TRP  88 -16.318  22.621  -1.358
  685    HZ2  TRP  88           HZ2      TRP  88 -20.973  24.414  -1.416
  686    HZ3  TRP  88           HZ3      TRP  88 -18.130  21.443  -0.116
  687    HH2  TRP  88           HH2      TRP  88 -20.443  22.337  -0.121
  688    H    ASP  89           H        ASP  89 -12.316  27.515  -3.788
  689    HA   ASP  89           HA       ASP  89 -10.350  25.326  -3.269
  690    HB2  ASP  89           HB2      ASP  89 -10.186  28.111  -4.424
  691    HB3  ASP  89           HB3      ASP  89  -8.807  27.477  -3.536
  692    H    GLU  90           H        GLU  90 -10.618  24.887  -0.998
  693    HA   GLU  90           HA       GLU  90 -10.379  27.247   0.836
  694    HB2  GLU  90           HB2      GLU  90 -12.769  26.447   0.395
  695    HB3  GLU  90           HB3      GLU  90 -12.258  24.844   0.952
  696    HG2  GLU  90           HG2      GLU  90 -13.545  26.108   2.638
  697    HG3  GLU  90           HG3      GLU  90 -11.964  25.621   3.197
  698    H    TRP  91           H        TRP  91  -9.288  26.740   2.903
  699    HA   TRP  91           HA       TRP  91  -8.025  24.119   2.885
  700    HB2  TRP  91           HB2      TRP  91  -7.749  25.467   5.462
  701    HB3  TRP  91           HB3      TRP  91  -6.567  24.668   4.474
  702    HD1  TRP  91           HD1      TRP  91  -8.513  27.963   4.467
  703    HE1  TRP  91           HE1      TRP  91  -6.900  29.860   4.387
  704    HE3  TRP  91           HE3      TRP  91  -4.101  25.336   4.029
  705    HZ2  TRP  91           HZ2      TRP  91  -4.076  30.284   3.754
  706    HZ3  TRP  91           HZ3      TRP  91  -1.993  26.559   3.525
  707    HH2  TRP  91           HH2      TRP  91  -2.044  29.078   3.282
  708    H    VAL  92           H        VAL  92  -8.070  22.594   4.414
  709    HA   VAL  92           HA       VAL  92 -10.206  22.706   6.500
  710    HB   VAL  92           HB       VAL  92 -10.434  20.189   6.158
  711   HG11  VAL  92          HG11      VAL  92 -12.062  20.339   4.397
  712   HG12  VAL  92          HG12      VAL  92 -12.226  21.718   5.499
  713   HG13  VAL  92          HG13      VAL  92 -11.455  21.942   3.904
  714   HG21  VAL  92          HG21      VAL  92  -8.507  19.874   4.680
  715   HG22  VAL  92          HG22      VAL  92 -10.035  19.302   3.945
  716   HG23  VAL  92          HG23      VAL  92  -9.294  20.820   3.413
  717    H    GLY  93           H        GLY  93  -9.706  21.326   8.329
  718    HA2  GLY  93           HA2      GLY  93  -6.797  21.012   8.804
  719    HA3  GLY  93           HA3      GLY  93  -8.087  20.945  10.016
  720    H    TYR  94           H        TYR  94  -6.253  18.983   9.979
  721    HA   TYR  94           HA       TYR  94  -6.884  16.651   8.504
  722    HB2  TYR  94           HB2      TYR  94  -5.032  17.504  10.425
  723    HB3  TYR  94           HB3      TYR  94  -5.825  16.106  11.171
  724    HD1  TYR  94           HD1      TYR  94  -6.251  14.130   9.384
  725    HD2  TYR  94           HD2      TYR  94  -3.224  17.167   9.104
  726    HE1  TYR  94           HE1      TYR  94  -5.110  12.805   7.624
  727    HE2  TYR  94           HE2      TYR  94  -2.175  15.914   7.201
  728    HH   TYR  94           HH       TYR  94  -3.308  12.645   6.208
  729    H    ASP  95           H        ASP  95  -8.380  18.073  11.220
  730    HA   ASP  95           HA       ASP  95  -9.970  15.977  12.264
  731    HB2  ASP  95           HB2      ASP  95  -9.776  18.195  13.311
  732    HB3  ASP  95           HB3      ASP  95 -10.598  18.931  11.933
  733    H    ARG  96           H        ARG  96 -10.120  17.542   9.156
  734    HA   ARG  96           HA       ARG  96 -12.681  16.109   8.571
  735    HB2  ARG  96           HB2      ARG  96 -11.588  18.638   7.285
  736    HB3  ARG  96           HB3      ARG  96 -13.060  17.813   6.800
  737    HG2  ARG  96           HG2      ARG  96 -12.583  19.123   9.513
  738    HG3  ARG  96           HG3      ARG  96 -13.471  19.837   8.180
  739    HD2  ARG  96           HD2      ARG  96 -15.363  18.750   8.656
  740    HD3  ARG  96           HD3      ARG  96 -14.553  17.186   8.773
  741    HE   ARG  96           HE       ARG  96 -13.795  18.327  11.114
  742   HH11  ARG  96          HH11      ARG  96 -17.032  17.875   9.682
  743   HH12  ARG  96          HH12      ARG  96 -17.813  17.764  11.222
  744   HH21  ARG  96          HH21      ARG  96 -14.742  18.186  13.017
  745   HH22  ARG  96          HH22      ARG  96 -16.470  17.946  13.224
  746    H    ILE  97           H        ILE  97  -9.349  16.895   7.302
  747    HA   ILE  97           HA       ILE  97 -10.032  15.189   5.003
  748    HB   ILE  97           HB       ILE  97  -9.259  17.548   4.889
  749   HG12  ILE  97          HG12      ILE  97  -7.692  15.521   3.263
  750   HG13  ILE  97          HG13      ILE  97  -9.248  16.251   2.855
  751   HG21  ILE  97          HG21      ILE  97  -6.383  16.658   5.063
  752   HG22  ILE  97          HG22      ILE  97  -7.174  18.257   5.125
  753   HG23  ILE  97          HG23      ILE  97  -7.244  17.199   6.546
  754   HD11  ILE  97          HD11      ILE  97  -7.752  17.480   1.598
  755   HD12  ILE  97          HD12      ILE  97  -8.018  18.487   3.006
  756   HD13  ILE  97          HD13      ILE  97  -6.528  17.540   2.880
  757    H    ARG  98           H        ARG  98  -8.722  13.677   4.106
  758    HA   ARG  98           HA       ARG  98  -6.187  12.897   5.419
  759    HB2  ARG  98           HB2      ARG  98  -8.436  11.037   4.749
  760    HB3  ARG  98           HB3      ARG  98  -6.717  10.558   4.942
  761    HG2  ARG  98           HG2      ARG  98  -6.799  11.457   7.292
  762    HG3  ARG  98           HG3      ARG  98  -8.538  11.790   7.084
  763    HD2  ARG  98           HD2      ARG  98  -8.946   9.474   6.514
  764    HD3  ARG  98           HD3      ARG  98  -7.201   9.143   6.537
  765    HE   ARG  98           HE       ARG  98  -8.014  10.131   9.094
  766   HH11  ARG  98          HH11      ARG  98  -8.383   7.292   7.045
  767   HH12  ARG  98          HH12      ARG  98  -8.248   6.119   8.307
  768   HH21  ARG  98          HH21      ARG  98  -8.028   8.601  10.876
  769   HH22  ARG  98          HH22      ARG  98  -8.178   6.904  10.559
  770    H    ALA  99           H        ALA  99  -4.841  11.735   3.784
  771    HA   ALA  99           HA       ALA  99  -5.043  12.910   1.149
  772    HB1  ALA  99           HB1      ALA  99  -3.022  12.453   2.504
  773    HB2  ALA  99           HB2      ALA  99  -3.283  10.731   2.178
  774    HB3  ALA  99           HB3      ALA  99  -2.917  11.909   0.814
  775    H    TYR 100           H        TYR 100  -4.695  11.576  -0.830
  776    HA   TYR 100           HA       TYR 100  -7.014   9.938  -1.056
  777    HB2  TYR 100           HB2      TYR 100  -5.865  11.362  -2.733
  778    HB3  TYR 100           HB3      TYR 100  -4.845   9.995  -3.112
  779    HD1  TYR 100           HD1      TYR 100  -8.246  11.437  -3.191
  780    HD2  TYR 100           HD2      TYR 100  -5.864   8.016  -4.270
  781    HE1  TYR 100           HE1      TYR 100 -10.075  10.652  -4.683
  782    HE2  TYR 100           HE2      TYR 100  -7.667   7.212  -5.763
  783    HH   TYR 100           HH       TYR 100  -9.813   7.622  -6.610
  784    H    ASN 101           H        ASN 101  -7.219   7.950  -0.322
  785    HA   ASN 101           HA       ASN 101  -5.451   5.843  -1.171
  786    HB2  ASN 101           HB2      ASN 101  -4.446   5.151   0.819
  787    HB3  ASN 101           HB3      ASN 101  -4.207   6.886   0.813
  788   HD21  ASN 101          HD21      ASN 101  -5.683   8.214   2.200
  789   HD22  ASN 101          HD22      ASN 101  -6.190   7.498   3.700
  790    H    GLU 102           H        GLU 102  -5.940   3.725  -0.136
  791    HA   GLU 102           HA       GLU 102  -8.482   3.040  -0.961
  792    HB2  GLU 102           HB2      GLU 102  -6.544   1.508   0.829
  793    HB3  GLU 102           HB3      GLU 102  -7.939   0.796   0.012
  794    HG2  GLU 102           HG2      GLU 102  -6.985   1.409  -2.199
  795    HG3  GLU 102           HG3      GLU 102  -5.580   2.119  -1.405
  796    H    GLU 103           H        GLU 103  -7.395   3.735   2.390
  797    HA   GLU 103           HA       GLU 103  -9.756   2.698   3.651
  798    HB2  GLU 103           HB2      GLU 103  -7.696   3.025   4.859
  799    HB3  GLU 103           HB3      GLU 103  -7.662   4.747   4.493
  800    HG2  GLU 103           HG2      GLU 103  -9.097   5.342   6.049
  801    HG3  GLU 103           HG3      GLU 103 -10.125   3.905   5.896
  802    H    ASN 104           H        ASN 104  -9.059   5.756   1.937
  803    HA   ASN 104           HA       ASN 104 -11.424   7.127   3.116
  804    HB2  ASN 104           HB2      ASN 104  -9.444   8.057   1.099
  805    HB3  ASN 104           HB3      ASN 104 -10.866   8.944   1.700
  806   HD21  ASN 104          HD21      ASN 104  -7.788   9.373   2.000
  807   HD22  ASN 104          HD22      ASN 104  -7.599   9.549   3.706
  808    H    ILE 105           H        ILE 105 -10.378   5.280   0.317
  809    HA   ILE 105           HA       ILE 105 -12.736   5.961  -1.240
  810    HB   ILE 105           HB       ILE 105 -10.368   4.136  -1.317
  811   HG12  ILE 105          HG12      ILE 105  -9.577   5.598  -2.878
  812   HG13  ILE 105          HG13      ILE 105 -11.197   5.911  -3.572
  813   HG21  ILE 105          HG21      ILE 105 -12.729   4.047  -3.167
  814   HG22  ILE 105          HG22      ILE 105 -11.116   3.365  -3.565
  815   HG23  ILE 105          HG23      ILE 105 -12.036   2.737  -2.176
  816   HD11  ILE 105          HD11      ILE 105 -10.106   7.956  -2.769
  817   HD12  ILE 105          HD12      ILE 105 -11.607   7.671  -1.876
  818   HD13  ILE 105          HD13      ILE 105 -10.027   7.309  -1.136
  819    H    ALA 106           H        ALA 106 -11.867   3.483   1.147
  820    HA   ALA 106           HA       ALA 106 -14.218   1.864   0.719
  821    HB1  ALA 106           HB1      ALA 106 -12.388   2.209   3.143
  822    HB2  ALA 106           HB2      ALA 106 -13.534   0.875   2.875
  823    HB3  ALA 106           HB3      ALA 106 -12.124   1.094   1.795
  824    H    MET 107           H        MET 107 -13.320   4.537   2.969
  825    HA   MET 107           HA       MET 107 -15.939   4.717   4.127
  826    HB2  MET 107           HB2      MET 107 -15.130   6.363   5.429
  827    HB3  MET 107           HB3      MET 107 -13.589   5.709   4.857
  828    HG2  MET 107           HG2      MET 107 -13.764   7.538   3.042
  829    HG3  MET 107           HG3      MET 107 -15.019   8.237   4.055
  830    HE1  MET 107           HE1      MET 107 -12.517   9.575   2.968
  831    HE2  MET 107           HE2      MET 107 -13.714  10.349   4.066
  832    HE3  MET 107           HE3      MET 107 -11.957  10.573   4.347
  833    H    LYS 108           H        LYS 108 -14.479   6.407   1.275
  834    HA   LYS 108           HA       LYS 108 -16.571   8.044   0.595
  835    HB2  LYS 108           HB2      LYS 108 -14.571   8.099  -0.769
  836    HB3  LYS 108           HB3      LYS 108 -14.719   6.413  -1.163
  837    HG2  LYS 108           HG2      LYS 108 -15.225   7.627  -3.123
  838    HG3  LYS 108           HG3      LYS 108 -16.631   6.755  -2.609
  839    HD2  LYS 108           HD2      LYS 108 -17.732   8.715  -3.009
  840    HD3  LYS 108           HD3      LYS 108 -17.180   9.156  -1.401
  841    HE2  LYS 108           HE2      LYS 108 -16.371  10.963  -2.608
  842    HE3  LYS 108           HE3      LYS 108 -14.960   9.887  -2.689
  843    HZ1  LYS 108           HZ1      LYS 108 -17.011  10.221  -4.805
  844    HZ2  LYS 108           HZ2      LYS 108 -15.499  10.866  -4.810
  845    HZ3  LYS 108           HZ3      LYS 108 -15.696   9.236  -4.907
  846    H    LYS 109           H        LYS 109 -16.032   4.670  -0.699
  847    HA   LYS 109           HA       LYS 109 -18.495   4.661  -2.050
  848    HB2  LYS 109           HB2      LYS 109 -18.071   2.397  -2.628
  849    HB3  LYS 109           HB3      LYS 109 -16.515   3.245  -2.569
  850    HG2  LYS 109           HG2      LYS 109 -16.133   2.206  -0.334
  851    HG3  LYS 109           HG3      LYS 109 -17.610   1.249  -0.580
  852    HD2  LYS 109           HD2      LYS 109 -16.671   0.371  -2.717
  853    HD3  LYS 109           HD3      LYS 109 -15.195   1.357  -2.491
  854    HE2  LYS 109           HE2      LYS 109 -14.702   0.247  -0.425
  855    HE3  LYS 109           HE3      LYS 109 -16.233  -0.657  -0.487
  856    HZ1  LYS 109           HZ1      LYS 109 -15.393  -1.811  -2.447
  857    HZ2  LYS 109           HZ2      LYS 109 -13.986  -0.975  -2.412
  858    HZ3  LYS 109           HZ3      LYS 109 -14.348  -2.026  -1.218
  859    H    ARG 110           H        ARG 110 -17.788   3.534   1.253
  860    HA   ARG 110           HA       ARG 110 -20.313   2.317   1.753
  861    HB2  ARG 110           HB2      ARG 110 -18.163   2.295   3.157
  862    HB3  ARG 110           HB3      ARG 110 -18.629   3.878   3.774
  863    HG2  ARG 110           HG2      ARG 110 -20.174   1.253   4.064
  864    HG3  ARG 110           HG3      ARG 110 -19.154   2.013   5.287
  865    HD2  ARG 110           HD2      ARG 110 -20.722   4.031   5.163
  866    HD3  ARG 110           HD3      ARG 110 -21.806   2.996   4.206
  867    HE   ARG 110           HE       ARG 110 -21.108   1.595   6.553
  868   HH11  ARG 110          HH11      ARG 110 -23.037   4.424   5.605
  869   HH12  ARG 110          HH12      ARG 110 -24.109   4.323   6.955
  870   HH21  ARG 110          HH21      ARG 110 -22.542   1.458   8.352
  871   HH22  ARG 110          HH22      ARG 110 -23.830   2.593   8.540
  872    H    LEU 111           H        LEU 111 -19.226   5.777   2.164
  873    HA   LEU 111           HA       LEU 111 -21.793   6.699   3.054
  874    HB2  LEU 111           HB2      LEU 111 -19.670   8.177   1.466
  875    HB3  LEU 111           HB3      LEU 111 -21.027   8.880   2.321
  876    HG   LEU 111           HG       LEU 111 -19.067   7.279   3.936
  877   HD11  LEU 111          HD11      LEU 111 -18.655  10.232   3.330
  878   HD12  LEU 111          HD12      LEU 111 -17.488   9.064   4.027
  879   HD13  LEU 111          HD13      LEU 111 -17.890   8.980   2.330
  880   HD21  LEU 111          HD21      LEU 111 -21.177   8.068   4.930
  881   HD22  LEU 111          HD22      LEU 111 -19.795   8.884   5.671
  882   HD23  LEU 111          HD23      LEU 111 -20.802   9.731   4.459
  883    H    ALA 112           H        ALA 112 -20.288   6.517  -0.188
  884    HA   ALA 112           HA       ALA 112 -22.352   7.789  -1.593
  885    HB1  ALA 112           HB1      ALA 112 -21.364   6.822  -3.602
  886    HB2  ALA 112           HB2      ALA 112 -20.099   7.362  -2.472
  887    HB3  ALA 112           HB3      ALA 112 -20.486   5.626  -2.623
  888    H    ASN 113           H        ASN 113 -22.560   4.692  -0.057
  889    HA   ASN 113           HA       ASN 113 -24.820   3.787  -1.744
  890    HB2  ASN 113           HB2      ASN 113 -23.505   2.701   0.763
  891    HB3  ASN 113           HB3      ASN 113 -25.109   2.178   0.293
  892   HD21  ASN 113          HD21      ASN 113 -21.789   2.549  -1.109
  893   HD22  ASN 113          HD22      ASN 113 -21.932   1.153  -2.156
  894    H    LEU 114           H        LEU 114 -24.283   5.831   1.038
  895    HA   LEU 114           HA       LEU 114 -27.081   5.918   1.890
  896    HB2  LEU 114           HB2      LEU 114 -25.220   6.154   3.477
  897    HB3  LEU 114           HB3      LEU 114 -24.699   7.627   2.686
  898    HG   LEU 114           HG       LEU 114 -25.935   7.818   4.857
  899   HD11  LEU 114          HD11      LEU 114 -27.161   9.458   2.616
  900   HD12  LEU 114          HD12      LEU 114 -27.037   9.874   4.331
  901   HD13  LEU 114          HD13      LEU 114 -25.570   9.740   3.349
  902   HD21  LEU 114          HD21      LEU 114 -27.720   6.176   4.406
  903   HD22  LEU 114          HD22      LEU 114 -28.333   7.751   4.936
  904   HD23  LEU 114          HD23      LEU 114 -28.436   7.298   3.225
  905    H    GLU 115           H        GLU 115 -24.815   7.807  -0.097
  906    HA   GLU 115           HA       GLU 115 -26.331  10.070  -0.666
  907    HB2  GLU 115           HB2      GLU 115 -23.981   9.650  -1.415
  908    HB3  GLU 115           HB3      GLU 115 -24.598   8.537  -2.641
  909    HG2  GLU 115           HG2      GLU 115 -25.909  10.404  -3.662
  910    HG3  GLU 115           HG3      GLU 115 -25.285  11.495  -2.427
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1   2.472  -0.932   1.447
    2    H2   MET   1           H2       MET   1   1.235  -0.158   0.686
    3    H3   MET   1           H3       MET   1   2.414   0.711   1.415
    4    HA   MET   1           HA       MET   1   0.458  -1.018   2.750
    5    HB2  MET   1           HB2      MET   1   2.707  -0.996   3.854
    6    HB3  MET   1           HB3      MET   1   2.585   0.759   4.030
    7    HG2  MET   1           HG2      MET   1   0.542   0.446   5.425
    8    HG3  MET   1           HG3      MET   1   0.672  -1.305   5.214
    9    HE1  MET   1           HE1      MET   1   0.348   0.110   8.037
   10    HE2  MET   1           HE2      MET   1   0.516  -1.645   7.822
   11    HE3  MET   1           HE3      MET   1   1.536  -0.794   9.005
   12    H    VAL   2           H        VAL   2  -1.454   0.027   3.317
   13    HA   VAL   2           HA       VAL   2  -2.130   2.429   2.065
   14    HB   VAL   2           HB       VAL   2  -3.601   0.544   2.782
   15   HG11  VAL   2          HG11      VAL   2  -2.868   0.314   5.141
   16   HG12  VAL   2          HG12      VAL   2  -3.654   1.866   5.517
   17   HG13  VAL   2          HG13      VAL   2  -4.622   0.485   4.969
   18   HG21  VAL   2          HG21      VAL   2  -4.575   3.316   3.528
   19   HG22  VAL   2          HG22      VAL   2  -4.586   2.564   1.911
   20   HG23  VAL   2          HG23      VAL   2  -5.598   1.900   3.200
   21    H    ASP   3           H        ASP   3  -0.781   1.936   5.285
   22    HA   ASP   3           HA       ASP   3  -1.270   4.431   6.486
   23    HB2  ASP   3           HB2      ASP   3  -0.326   2.512   7.672
   24    HB3  ASP   3           HB3      ASP   3   1.132   2.570   6.681
   25    H    LEU   4           H        LEU   4   1.185   3.551   4.043
   26    HA   LEU   4           HA       LEU   4   2.709   6.010   4.285
   27    HB2  LEU   4           HB2      LEU   4   3.658   3.920   3.341
   28    HB3  LEU   4           HB3      LEU   4   2.474   3.967   2.029
   29    HG   LEU   4           HG       LEU   4   3.449   6.064   1.165
   30   HD11  LEU   4          HD11      LEU   4   5.673   6.813   2.010
   31   HD12  LEU   4          HD12      LEU   4   4.401   7.042   3.205
   32   HD13  LEU   4          HD13      LEU   4   5.526   5.679   3.376
   33   HD21  LEU   4          HD21      LEU   4   4.212   3.883   0.317
   34   HD22  LEU   4          HD22      LEU   4   5.514   5.075   0.295
   35   HD23  LEU   4          HD23      LEU   4   5.477   3.823   1.570
   36    H    GLU   5           H        GLU   5   0.019   4.817   2.248
   37    HA   GLU   5           HA       GLU   5  -0.057   7.086   0.493
   38    HB2  GLU   5           HB2      GLU   5  -2.220   5.051   1.164
   39    HB3  GLU   5           HB3      GLU   5  -2.208   6.154  -0.223
   40    HG2  GLU   5           HG2      GLU   5  -0.133   5.062  -1.047
   41    HG3  GLU   5           HG3      GLU   5  -0.255   3.871   0.250
   42    H    GLN   6           H        GLN   6  -1.606   6.352   3.597
   43    HA   GLN   6           HA       GLN   6  -3.500   8.331   3.775
   44    HB2  GLN   6           HB2      GLN   6  -2.659   6.321   5.380
   45    HB3  GLN   6           HB3      GLN   6  -1.853   7.671   6.195
   46    HG2  GLN   6           HG2      GLN   6  -4.218   8.786   6.162
   47    HG3  GLN   6           HG3      GLN   6  -4.803   7.186   5.693
   48   HE21  GLN   6          HE21      GLN   6  -5.531   5.952   7.507
   49   HE22  GLN   6          HE22      GLN   6  -4.867   6.136   9.114
   50    H    GLU   7           H        GLU   7  -0.007   8.853   3.980
   51    HA   GLU   7           HA       GLU   7  -0.084  11.271   5.525
   52    HB2  GLU   7           HB2      GLU   7   1.915  10.285   3.419
   53    HB3  GLU   7           HB3      GLU   7   2.116  11.722   4.411
   54    HG2  GLU   7           HG2      GLU   7   1.838  10.257   6.478
   55    HG3  GLU   7           HG3      GLU   7   1.978   8.854   5.421
   56    H    PHE   8           H        PHE   8  -0.641  13.287   4.908
   57    HA   PHE   8           HA       PHE   8  -1.676  14.035   2.386
   58    HB2  PHE   8           HB2      PHE   8  -1.337  16.282   2.979
   59    HB3  PHE   8           HB3      PHE   8  -1.776  15.481   4.474
   60    HD1  PHE   8           HD1      PHE   8   0.120  14.937   6.171
   61    HD2  PHE   8           HD2      PHE   8   0.822  17.251   2.602
   62    HE1  PHE   8           HE1      PHE   8   2.202  15.836   7.172
   63    HE2  PHE   8           HE2      PHE   8   2.918  18.152   3.607
   64    HZ   PHE   8           HZ       PHE   8   3.605  17.442   5.897
   65    H    ALA   9           H        ALA   9  -0.750  14.732   0.536
   66    HA   ALA   9           HA       ALA   9   2.250  14.616   0.389
   67    HB1  ALA   9           HB1      ALA   9   1.736  13.355  -1.741
   68    HB2  ALA   9           HB2      ALA   9   1.247  12.541  -0.209
   69    HB3  ALA   9           HB3      ALA   9   0.027  13.365  -1.210
   70    H    LEU  10           H        LEU  10   3.193  15.722  -1.336
   71    HA   LEU  10           HA       LEU  10   2.021  18.352  -1.725
   72    HB2  LEU  10           HB2      LEU  10   4.664  17.061  -2.274
   73    HB3  LEU  10           HB3      LEU  10   4.202  18.467  -3.230
   74    HG   LEU  10           HG       LEU  10   5.583  18.909  -1.131
   75   HD11  LEU  10          HD11      LEU  10   4.522  20.623  -2.463
   76   HD12  LEU  10          HD12      LEU  10   2.967  20.399  -1.626
   77   HD13  LEU  10          HD13      LEU  10   4.386  21.037  -0.749
   78   HD21  LEU  10          HD21      LEU  10   4.260  17.477   0.430
   79   HD22  LEU  10          HD22      LEU  10   4.422  19.156   0.984
   80   HD23  LEU  10          HD23      LEU  10   2.891  18.597   0.287
   81    H    GLY  11           H        GLY  11   0.260  17.855  -2.708
   82    HA2  GLY  11           HA2      GLY  11  -1.030  18.121  -4.656
   83    HA3  GLY  11           HA3      GLY  11   0.324  17.548  -5.671
   84    H    GLY  12           H        GLY  12  -0.754  15.967  -2.604
   85    HA2  GLY  12           HA2      GLY  12  -1.476  13.523  -4.070
   86    HA3  GLY  12           HA3      GLY  12  -1.632  13.836  -2.324
   87    H    ARG  13           H        ARG  13  -3.671  12.731  -3.577
   88    HA   ARG  13           HA       ARG  13  -5.712  14.871  -3.980
   89    HB2  ARG  13           HB2      ARG  13  -5.706  11.885  -4.526
   90    HB3  ARG  13           HB3      ARG  13  -7.205  12.808  -4.304
   91    HG2  ARG  13           HG2      ARG  13  -6.781  14.127  -6.225
   92    HG3  ARG  13           HG3      ARG  13  -5.134  13.434  -6.419
   93    HD2  ARG  13           HD2      ARG  13  -6.106  11.163  -6.611
   94    HD3  ARG  13           HD3      ARG  13  -7.720  11.820  -6.397
   95    HE   ARG  13           HE       ARG  13  -7.777  12.561  -8.587
   96   HH11  ARG  13          HH11      ARG  13  -4.470  11.437  -7.880
   97   HH12  ARG  13          HH12      ARG  13  -3.959  11.481  -9.531
   98   HH21  ARG  13          HH21      ARG  13  -7.088  12.628 -10.770
   99   HH22  ARG  13          HH22      ARG  13  -5.480  12.170 -11.202
  100    H    CYS  14           H        CYS  14  -7.479  14.493  -2.493
  101    HA   CYS  14           HA       CYS  14  -6.955  12.853  -0.079
  102    HB2  CYS  14           HB2      CYS  14  -7.578  15.191   1.116
  103    HB3  CYS  14           HB3      CYS  14  -5.925  14.673   0.857
  104    HG   CYS  14           HG       CYS  14  -5.418  15.916  -1.253
  105    H    LEU  15           H        LEU  15  -8.783  13.440   1.525
  106    HA   LEU  15           HA       LEU  15 -11.408  13.845   0.220
  107    HB2  LEU  15           HB2      LEU  15 -10.753  11.558   2.139
  108    HB3  LEU  15           HB3      LEU  15 -12.331  12.001   1.532
  109    HG   LEU  15           HG       LEU  15 -11.754  10.069   0.504
  110   HD11  LEU  15          HD11      LEU  15 -11.063  11.985  -1.733
  111   HD12  LEU  15          HD12      LEU  15 -11.997  10.492  -1.796
  112   HD13  LEU  15          HD13      LEU  15 -12.664  11.947  -1.010
  113   HD21  LEU  15          HD21      LEU  15  -9.151  10.992  -0.663
  114   HD22  LEU  15          HD22      LEU  15  -9.261  10.248   0.945
  115   HD23  LEU  15          HD23      LEU  15  -9.815   9.348  -0.466
  116    H    ALA  16           H        ALA  16 -12.717  14.974   1.680
  117    HA   ALA  16           HA       ALA  16 -11.741  15.241   4.456
  118    HB1  ALA  16           HB1      ALA  16 -10.776  17.211   3.448
  119    HB2  ALA  16           HB2      ALA  16 -12.285  17.592   2.596
  120    HB3  ALA  16           HB3      ALA  16 -12.183  17.733   4.368
  121    H    PHE  17           H        PHE  17 -13.225  15.362   5.942
  122    HA   PHE  17           HA       PHE  17 -15.879  14.397   5.102
  123    HB2  PHE  17           HB2      PHE  17 -13.994  13.762   7.208
  124    HB3  PHE  17           HB3      PHE  17 -15.531  14.214   7.917
  125    HD1  PHE  17           HD1      PHE  17 -17.667  13.055   6.515
  126    HD2  PHE  17           HD2      PHE  17 -13.635  11.518   6.824
  127    HE1  PHE  17           HE1      PHE  17 -18.511  10.789   6.302
  128    HE2  PHE  17           HE2      PHE  17 -14.543   9.210   6.634
  129    HZ   PHE  17           HZ       PHE  17 -16.960   8.834   6.478
  130    H    HIS  18           H        HIS  18 -17.764  15.232   5.507
  131    HA   HIS  18           HA       HIS  18 -17.848  17.986   6.699
  132    HB2  HIS  18           HB2      HIS  18 -19.440  16.694   4.450
  133    HB3  HIS  18           HB3      HIS  18 -19.968  18.139   5.288
  134    HD2  HIS  18           HD2      HIS  18 -16.872  16.995   3.191
  135    HE1  HIS  18           HE1      HIS  18 -17.377  21.185   2.616
  136    HE2  HIS  18           HE2      HIS  18 -16.036  19.150   1.922
  137    H    GLY  19           H        GLY  19 -19.615  14.854   6.371
  138    HA2  GLY  19           HA2      GLY  19 -20.163  14.310   8.923
  139    HA3  GLY  19           HA3      GLY  19 -21.398  15.528   8.629
  140    HA   PRO  20           HA       PRO  20 -24.031  12.553   6.541
  141    HB2  PRO  20           HB2      PRO  20 -23.974  14.319   4.098
  142    HB3  PRO  20           HB3      PRO  20 -25.384  13.610   4.939
  143    HG2  PRO  20           HG2      PRO  20 -24.755  16.240   5.271
  144    HG3  PRO  20           HG3      PRO  20 -25.273  15.243   6.671
  145    HD2  PRO  20           HD2      PRO  20 -22.468  16.037   5.864
  146    HD3  PRO  20           HD3      PRO  20 -23.218  16.016   7.488
  147    H    LEU  21           H        LEU  21 -21.393  13.991   4.610
  148    HA   LEU  21           HA       LEU  21 -20.463  11.378   3.780
  149    HB2  LEU  21           HB2      LEU  21 -22.059  12.891   1.947
  150    HB3  LEU  21           HB3      LEU  21 -20.420  13.258   1.483
  151    HG   LEU  21           HG       LEU  21 -20.290  10.529   1.914
  152   HD11  LEU  21          HD11      LEU  21 -22.966  11.199   0.631
  153   HD12  LEU  21          HD12      LEU  21 -22.271   9.568   0.693
  154   HD13  LEU  21          HD13      LEU  21 -22.721  10.360   2.196
  155   HD21  LEU  21          HD21      LEU  21 -19.148  11.309   0.061
  156   HD22  LEU  21          HD22      LEU  21 -20.331  10.162  -0.528
  157   HD23  LEU  21          HD23      LEU  21 -20.648  11.917  -0.713
  158    H    MET  22           H        MET  22 -18.461  12.077   2.110
  159    HA   MET  22           HA       MET  22 -17.050  14.383   3.280
  160    HB2  MET  22           HB2      MET  22 -15.120  13.173   3.688
  161    HB3  MET  22           HB3      MET  22 -16.235  11.839   3.943
  162    HG2  MET  22           HG2      MET  22 -14.747  12.563   1.406
  163    HG3  MET  22           HG3      MET  22 -14.277  11.362   2.561
  164    HE1  MET  22           HE1      MET  22 -13.866  10.215   0.350
  165    HE2  MET  22           HE2      MET  22 -15.141   9.696  -0.736
  166    HE3  MET  22           HE3      MET  22 -14.824  11.417  -0.596
  167    H    TYR  23           H        TYR  23 -15.519  15.206   1.507
  168    HA   TYR  23           HA       TYR  23 -16.365  14.279  -1.183
  169    HB2  TYR  23           HB2      TYR  23 -16.342  17.193  -0.349
  170    HB3  TYR  23           HB3      TYR  23 -16.598  16.584  -1.978
  171    HD1  TYR  23           HD1      TYR  23 -18.500  14.528  -2.002
  172    HD2  TYR  23           HD2      TYR  23 -18.350  17.848   0.748
  173    HE1  TYR  23           HE1      TYR  23 -20.844  14.089  -1.358
  174    HE2  TYR  23           HE2      TYR  23 -20.728  17.468   1.339
  175    HH   TYR  23           HH       TYR  23 -22.616  14.741  -0.073
  176    H    GLU  24           H        GLU  24 -14.876  15.184  -2.862
  177    HA   GLU  24           HA       GLU  24 -12.255  14.171  -2.021
  178    HB2  GLU  24           HB2      GLU  24 -13.626  14.865  -4.644
  179    HB3  GLU  24           HB3      GLU  24 -11.858  14.700  -4.579
  180    HG2  GLU  24           HG2      GLU  24 -11.942  12.454  -3.936
  181    HG3  GLU  24           HG3      GLU  24 -13.644  12.537  -3.460
  182    H    ALA  25           H        ALA  25 -10.383  15.205  -2.200
  183    HA   ALA  25           HA       ALA  25 -10.433  18.135  -2.216
  184    HB1  ALA  25           HB1      ALA  25  -9.272  16.280  -0.081
  185    HB2  ALA  25           HB2      ALA  25  -8.892  17.984  -0.181
  186    HB3  ALA  25           HB3      ALA  25 -10.552  17.455   0.126
  187    H    LYS  26           H        LYS  26  -8.136  18.939  -2.724
  188    HA   LYS  26           HA       LYS  26  -6.223  16.903  -3.637
  189    HB2  LYS  26           HB2      LYS  26  -7.738  17.565  -5.625
  190    HB3  LYS  26           HB3      LYS  26  -7.084  19.178  -5.450
  191    HG2  LYS  26           HG2      LYS  26  -4.741  17.977  -5.623
  192    HG3  LYS  26           HG3      LYS  26  -5.684  16.577  -6.170
  193    HD2  LYS  26           HD2      LYS  26  -4.836  17.852  -8.074
  194    HD3  LYS  26           HD3      LYS  26  -6.614  17.943  -8.030
  195    HE2  LYS  26           HE2      LYS  26  -6.564  20.189  -7.144
  196    HE3  LYS  26           HE3      LYS  26  -4.838  20.069  -6.768
  197    HZ1  LYS  26           HZ1      LYS  26  -5.187  21.361  -8.725
  198    HZ2  LYS  26           HZ2      LYS  26  -4.331  20.032  -9.071
  199    HZ3  LYS  26           HZ3      LYS  26  -5.925  20.112  -9.519
  200    H    ILE  27           H        ILE  27  -4.519  17.496  -2.385
  201    HA   ILE  27           HA       ILE  27  -4.499  19.985  -0.939
  202    HB   ILE  27           HB       ILE  27  -2.564  17.669  -1.236
  203   HG12  ILE  27          HG12      ILE  27  -3.399  18.256   1.503
  204   HG13  ILE  27          HG13      ILE  27  -4.788  18.031   0.511
  205   HG21  ILE  27          HG21      ILE  27  -1.154  19.598  -0.801
  206   HG22  ILE  27          HG22      ILE  27  -2.254  20.177   0.471
  207   HG23  ILE  27          HG23      ILE  27  -1.301  18.683   0.698
  208   HD11  ILE  27          HD11      ILE  27  -2.455  16.067   0.873
  209   HD12  ILE  27          HD12      ILE  27  -4.094  15.990   1.627
  210   HD13  ILE  27          HD13      ILE  27  -3.841  15.741  -0.147
  211    H    LEU  28           H        LEU  28  -3.679  21.933  -1.608
  212    HA   LEU  28           HA       LEU  28  -1.394  21.953  -3.486
  213    HB2  LEU  28           HB2      LEU  28  -3.469  22.940  -4.457
  214    HB3  LEU  28           HB3      LEU  28  -3.713  23.905  -3.009
  215    HG   LEU  28           HG       LEU  28  -1.459  24.992  -3.457
  216   HD11  LEU  28          HD11      LEU  28  -0.657  24.844  -5.824
  217   HD12  LEU  28          HD12      LEU  28  -0.411  23.405  -4.841
  218   HD13  LEU  28          HD13      LEU  28  -1.747  23.441  -6.040
  219   HD21  LEU  28          HD21      LEU  28  -2.376  26.509  -5.176
  220   HD22  LEU  28          HD22      LEU  28  -3.770  25.387  -5.322
  221   HD23  LEU  28          HD23      LEU  28  -3.418  26.215  -3.779
  222    H    LYS  29           H        LYS  29  -2.792  24.386  -1.197
  223    HA   LYS  29           HA       LYS  29   0.004  24.898  -0.574
  224    HB2  LYS  29           HB2      LYS  29  -2.355  26.488   0.491
  225    HB3  LYS  29           HB3      LYS  29  -0.646  26.926   0.508
  226    HG2  LYS  29           HG2      LYS  29  -0.760  26.648  -2.077
  227    HG3  LYS  29           HG3      LYS  29  -2.506  26.708  -1.861
  228    HD2  LYS  29           HD2      LYS  29  -0.511  28.885  -1.139
  229    HD3  LYS  29           HD3      LYS  29  -1.563  28.839  -2.560
  230    HE2  LYS  29           HE2      LYS  29  -3.534  28.678  -0.977
  231    HE3  LYS  29           HE3      LYS  29  -2.387  29.057   0.346
  232    HZ1  LYS  29           HZ1      LYS  29  -2.970  30.834  -1.955
  233    HZ2  LYS  29           HZ2      LYS  29  -3.403  31.132  -0.414
  234    HZ3  LYS  29           HZ3      LYS  29  -1.836  31.130  -0.813
  235    H    ILE  30           H        ILE  30   1.049  24.258   1.258
  236    HA   ILE  30           HA       ILE  30  -0.588  22.733   3.210
  237    HB   ILE  30           HB       ILE  30   1.109  21.219   3.623
  238   HG12  ILE  30          HG12      ILE  30   3.223  22.221   3.345
  239   HG13  ILE  30          HG13      ILE  30   3.115  20.877   2.219
  240   HG21  ILE  30          HG21      ILE  30   0.451  19.882   1.928
  241   HG22  ILE  30          HG22      ILE  30  -0.367  21.307   1.245
  242   HG23  ILE  30          HG23      ILE  30   1.224  20.826   0.691
  243   HD11  ILE  30          HD11      ILE  30   4.044  22.733   1.012
  244   HD12  ILE  30          HD12      ILE  30   2.346  22.605   0.456
  245   HD13  ILE  30          HD13      ILE  30   2.781  23.809   1.679
  246    H    TRP  31           H        TRP  31  -1.026  24.119   4.473
  247    HA   TRP  31           HA       TRP  31   0.779  26.156   5.669
  248    HB2  TRP  31           HB2      TRP  31  -1.350  27.012   5.428
  249    HB3  TRP  31           HB3      TRP  31  -2.131  25.533   5.902
  250    HD1  TRP  31           HD1      TRP  31  -2.010  24.992   8.689
  251    HE1  TRP  31           HE1      TRP  31  -2.377  26.634  10.613
  252    HE3  TRP  31           HE3      TRP  31  -0.903  29.370   6.270
  253    HZ2  TRP  31           HZ2      TRP  31  -2.278  29.454  11.044
  254    HZ3  TRP  31           HZ3      TRP  31  -1.106  31.537   7.485
  255    HH2  TRP  31           HH2      TRP  31  -1.833  31.580   9.860
  256    H    ASP  32           H        ASP  32   1.397  26.290   7.817
  257    HA   ASP  32           HA       ASP  32   1.446  23.860   9.421
  258    HB2  ASP  32           HB2      ASP  32   3.291  23.662   7.719
  259    HB3  ASP  32           HB3      ASP  32   4.003  25.135   8.354
  260    HA   PRO  33           HA       PRO  33   1.118  27.628  11.982
  261    HB2  PRO  33           HB2      PRO  33   0.908  26.353  14.451
  262    HB3  PRO  33           HB3      PRO  33  -0.427  26.676  13.318
  263    HG2  PRO  33           HG2      PRO  33   1.240  24.164  13.602
  264    HG3  PRO  33           HG3      PRO  33  -0.549  24.294  13.454
  265    HD2  PRO  33           HD2      PRO  33   0.986  23.631  11.391
  266    HD3  PRO  33           HD3      PRO  33  -0.396  24.747  11.156
  267    H    SER  34           H        SER  34   3.725  25.341  12.003
  268    HA   SER  34           HA       SER  34   5.329  26.462  14.103
  269    HB2  SER  34           HB2      SER  34   6.347  25.198  11.529
  270    HB3  SER  34           HB3      SER  34   7.161  25.286  13.099
  271    HG   SER  34           HG       SER  34   4.954  23.741  12.259
  272    H    SER  35           H        SER  35   4.623  27.477  10.795
  273    HA   SER  35           HA       SER  35   6.262  29.942  11.237
  274    HB2  SER  35           HB2      SER  35   5.358  28.752   8.592
  275    HB3  SER  35           HB3      SER  35   6.451  30.122   8.836
  276    HG   SER  35           HG       SER  35   7.971  28.697   9.761
  277    H    LYS  36           H        LYS  36   3.099  28.632  10.892
  278    HA   LYS  36           HA       LYS  36   1.075  29.407  10.594
  279    HB2  LYS  36           HB2      LYS  36   2.134  30.752  12.721
  280    HB3  LYS  36           HB3      LYS  36   1.580  32.117  11.786
  281    HG2  LYS  36           HG2      LYS  36  -0.693  31.464  11.922
  282    HG3  LYS  36           HG3      LYS  36  -0.325  29.768  12.175
  283    HD2  LYS  36           HD2      LYS  36   0.241  31.915  14.249
  284    HD3  LYS  36           HD3      LYS  36  -1.220  30.910  14.203
  285    HE2  LYS  36           HE2      LYS  36   0.147  28.851  14.340
  286    HE3  LYS  36           HE3      LYS  36   1.631  29.802  14.345
  287    HZ1  LYS  36           HZ1      LYS  36  -0.449  29.892  16.467
  288    HZ2  LYS  36           HZ2      LYS  36   1.012  29.167  16.584
  289    HZ3  LYS  36           HZ3      LYS  36   0.922  30.791  16.453
  290    H    MET  37           H        MET  37   2.507  29.486   8.469
  291    HA   MET  37           HA       MET  37   1.127  31.312   6.707
  292    HB2  MET  37           HB2      MET  37   4.158  31.059   6.751
  293    HB3  MET  37           HB3      MET  37   3.227  31.821   5.453
  294    HG2  MET  37           HG2      MET  37   2.315  33.452   7.161
  295    HG3  MET  37           HG3      MET  37   3.446  32.775   8.328
  296    HE1  MET  37           HE1      MET  37   5.688  32.327   5.713
  297    HE2  MET  37           HE2      MET  37   6.815  33.611   6.151
  298    HE3  MET  37           HE3      MET  37   6.159  32.486   7.406
  299    H    TYR  38           H        TYR  38   2.168  30.395   4.371
  300    HA   TYR  38           HA       TYR  38   1.643  27.477   4.513
  301    HB2  TYR  38           HB2      TYR  38   0.309  27.754   2.521
  302    HB3  TYR  38           HB3      TYR  38  -0.232  28.806   3.830
  303    HD1  TYR  38           HD1      TYR  38   0.016  31.114   3.808
  304    HD2  TYR  38           HD2      TYR  38   1.429  28.813   0.497
  305    HE1  TYR  38           HE1      TYR  38   0.288  33.218   2.457
  306    HE2  TYR  38           HE2      TYR  38   1.515  30.844  -0.910
  307    HH   TYR  38           HH       TYR  38   0.868  34.124   0.587
  308    H    THR  39           H        THR  39   1.966  26.850   1.849
  309    HA   THR  39           HA       THR  39   4.437  27.589   0.735
  310    HB   THR  39           HB       THR  39   4.930  24.811   1.254
  311    HG1  THR  39           HG1      THR  39   3.737  25.054   3.250
  312   HG21  THR  39          HG21      THR  39   6.277  27.387   2.029
  313   HG22  THR  39          HG22      THR  39   6.967  25.791   2.449
  314   HG23  THR  39          HG23      THR  39   6.694  26.221   0.752
  315    H    SER  40           H        SER  40   4.616  26.247  -1.345
  316    HA   SER  40           HA       SER  40   2.488  24.334  -1.976
  317    HB2  SER  40           HB2      SER  40   1.482  26.786  -2.152
  318    HB3  SER  40           HB3      SER  40   2.437  26.784  -3.656
  319    HG   SER  40           HG       SER  40   0.420  25.999  -4.091
  320    H    ILE  41           H        ILE  41   2.608  23.899  -4.422
  321    HA   ILE  41           HA       ILE  41   5.282  24.371  -5.542
  322    HB   ILE  41           HB       ILE  41   5.447  21.939  -6.164
  323   HG12  ILE  41          HG12      ILE  41   4.361  20.266  -4.765
  324   HG13  ILE  41          HG13      ILE  41   3.246  21.476  -4.120
  325   HG21  ILE  41          HG21      ILE  41   6.746  22.985  -4.369
  326   HG22  ILE  41          HG22      ILE  41   5.499  22.537  -3.196
  327   HG23  ILE  41          HG23      ILE  41   6.402  21.279  -4.069
  328   HD11  ILE  41          HD11      ILE  41   3.404  21.063  -7.087
  329   HD12  ILE  41          HD12      ILE  41   2.569  19.845  -6.091
  330   HD13  ILE  41          HD13      ILE  41   2.006  21.515  -6.079
  331    HA   PRO  42           HA       PRO  42   2.780  24.917  -9.246
  332    HB2  PRO  42           HB2      PRO  42   4.723  25.281 -11.104
  333    HB3  PRO  42           HB3      PRO  42   4.506  26.444  -9.780
  334    HG2  PRO  42           HG2      PRO  42   6.408  24.053  -9.852
  335    HG3  PRO  42           HG3      PRO  42   6.830  25.760  -9.528
  336    HD2  PRO  42           HD2      PRO  42   6.364  24.087  -7.458
  337    HD3  PRO  42           HD3      PRO  42   5.633  25.724  -7.418
  338    H    ASN  43           H        ASN  43   4.508  22.063  -8.588
  339    HA   ASN  43           HA       ASN  43   4.147  20.674 -11.091
  340    HB2  ASN  43           HB2      ASN  43   5.604  20.104  -8.927
  341    HB3  ASN  43           HB3      ASN  43   4.156  19.226  -8.446
  342   HD21  ASN  43          HD21      ASN  43   3.245  17.847 -10.558
  343   HD22  ASN  43          HD22      ASN  43   4.508  16.869 -11.292
  344    H    ASP  44           H        ASP  44   1.850  22.048  -9.132
  345    HA   ASP  44           HA       ASP  44  -0.299  20.462 -10.271
  346    HB2  ASP  44           HB2      ASP  44   0.126  19.444  -7.999
  347    HB3  ASP  44           HB3      ASP  44  -0.168  21.031  -7.278
  348    H    LYS  45           H        LYS  45  -2.412  21.800  -9.608
  349    HA   LYS  45           HA       LYS  45  -1.844  24.711  -9.729
  350    HB2  LYS  45           HB2      LYS  45  -3.346  24.961 -11.615
  351    HB3  LYS  45           HB3      LYS  45  -2.060  23.827 -12.038
  352    HG2  LYS  45           HG2      LYS  45  -3.624  21.924 -11.667
  353    HG3  LYS  45           HG3      LYS  45  -4.925  23.076 -11.309
  354    HD2  LYS  45           HD2      LYS  45  -4.698  24.053 -13.559
  355    HD3  LYS  45           HD3      LYS  45  -3.375  22.922 -13.929
  356    HE2  LYS  45           HE2      LYS  45  -4.932  21.009 -13.544
  357    HE3  LYS  45           HE3      LYS  45  -6.249  22.150 -13.236
  358    HZ1  LYS  45           HZ1      LYS  45  -4.773  21.904 -15.796
  359    HZ2  LYS  45           HZ2      LYS  45  -6.280  21.352 -15.512
  360    HZ3  LYS  45           HZ3      LYS  45  -5.999  22.957 -15.511
  361    HA   PRO  46           HA       PRO  46  -5.330  24.986  -6.916
  362    HB2  PRO  46           HB2      PRO  46  -6.239  27.273  -8.647
  363    HB3  PRO  46           HB3      PRO  46  -6.099  27.205  -6.871
  364    HG2  PRO  46           HG2      PRO  46  -4.223  28.501  -8.366
  365    HG3  PRO  46           HG3      PRO  46  -3.736  27.505  -6.962
  366    HD2  PRO  46           HD2      PRO  46  -3.617  26.805  -9.894
  367    HD3  PRO  46           HD3      PRO  46  -2.449  26.453  -8.586
  368    H    GLY  47           H        GLY  47  -5.998  25.622 -10.397
  369    HA2  GLY  47           HA2      GLY  47  -7.573  24.173 -11.624
  370    HA3  GLY  47           HA3      GLY  47  -8.592  24.169 -10.160
  371    H    GLY  48           H        GLY  48  -8.534  26.754  -9.289
  372    HA2  GLY  48           HA2      GLY  48 -10.125  28.307 -11.087
  373    HA3  GLY  48           HA3      GLY  48  -9.346  28.861  -9.594
  374    H    SER  49           H        SER  49  -6.671  27.870 -10.796
  375    HA   SER  49           HA       SER  49  -6.174  29.795 -12.970
  376    HB2  SER  49           HB2      SER  49  -4.374  29.486 -10.526
  377    HB3  SER  49           HB3      SER  49  -4.111  30.556 -11.906
  378    HG   SER  49           HG       SER  49  -5.002  31.679 -10.121
  379    H    SER  50           H        SER  50  -4.396  29.110 -14.292
  380    HA   SER  50           HA       SER  50  -4.446  26.358 -14.773
  381    HB2  SER  50           HB2      SER  50  -2.444  28.360 -15.879
  382    HB3  SER  50           HB3      SER  50  -3.064  26.898 -16.665
  383    HG   SER  50           HG       SER  50  -4.094  28.799 -17.430
  384    H    GLN  51           H        GLN  51  -2.173  28.100 -12.695
  385    HA   GLN  51           HA       GLN  51  -0.903  25.684 -11.918
  386    HB2  GLN  51           HB2      GLN  51   0.284  26.837 -14.197
  387    HB3  GLN  51           HB3      GLN  51   1.214  27.541 -12.869
  388    HG2  GLN  51           HG2      GLN  51   1.662  25.298 -11.975
  389    HG3  GLN  51           HG3      GLN  51   0.701  24.570 -13.265
  390   HE21  GLN  51          HE21      GLN  51   3.372  23.830 -12.853
  391   HE22  GLN  51          HE22      GLN  51   4.334  24.351 -14.232
  392    H    ALA  52           H        ALA  52   0.340  26.066 -10.077
  393    HA   ALA  52           HA       ALA  52  -0.076  28.599  -8.616
  394    HB1  ALA  52           HB1      ALA  52   1.211  27.375  -6.846
  395    HB2  ALA  52           HB2      ALA  52  -0.217  26.471  -7.384
  396    HB3  ALA  52           HB3      ALA  52   1.393  25.998  -7.955
  397    H    THR  53           H        THR  53   2.117  29.605  -7.773
  398    HA   THR  53           HA       THR  53   3.919  29.654 -10.137
  399    HB   THR  53           HB       THR  53   3.402  32.085  -8.446
  400    HG1  THR  53           HG1      THR  53   1.403  31.536  -9.229
  401   HG21  THR  53          HG21      THR  53   5.361  32.067  -9.968
  402   HG22  THR  53          HG22      THR  53   4.330  31.535 -11.311
  403   HG23  THR  53          HG23      THR  53   4.108  33.156 -10.600
  404    H    LYS  54           H        LYS  54   5.576  28.570  -9.741
  405    HA   LYS  54           HA       LYS  54   7.425  27.693  -8.936
  406    HB2  LYS  54           HB2      LYS  54   7.920  30.369  -8.837
  407    HB3  LYS  54           HB3      LYS  54   8.233  29.904  -7.150
  408    HG2  LYS  54           HG2      LYS  54   9.686  28.019  -8.040
  409    HG3  LYS  54           HG3      LYS  54   9.445  28.642  -9.660
  410    HD2  LYS  54           HD2      LYS  54  10.759  30.167  -7.355
  411    HD3  LYS  54           HD3      LYS  54  11.618  29.330  -8.658
  412    HE2  LYS  54           HE2      LYS  54  10.512  30.812 -10.336
  413    HE3  LYS  54           HE3      LYS  54   9.722  31.695  -9.016
  414    HZ1  LYS  54           HZ1      LYS  54  11.715  32.821  -9.743
  415    HZ2  LYS  54           HZ2      LYS  54  11.925  32.310  -8.205
  416    HZ3  LYS  54           HZ3      LYS  54  12.647  31.516  -9.442
  417    H    GLU  55           H        GLU  55   8.767  27.174  -6.849
  418    HA   GLU  55           HA       GLU  55   7.044  25.951  -4.904
  419    HB2  GLU  55           HB2      GLU  55  10.038  26.565  -4.860
  420    HB3  GLU  55           HB3      GLU  55   9.186  25.594  -3.657
  421    HG2  GLU  55           HG2      GLU  55   8.546  23.970  -5.438
  422    HG3  GLU  55           HG3      GLU  55   9.404  24.936  -6.637
  423    H    ILE  56           H        ILE  56   5.802  27.222  -3.641
  424    HA   ILE  56           HA       ILE  56   6.423  30.031  -3.489
  425    HB   ILE  56           HB       ILE  56   4.149  28.637  -2.023
  426   HG12  ILE  56          HG12      ILE  56   4.295  29.655  -4.899
  427   HG13  ILE  56          HG13      ILE  56   4.062  27.984  -4.387
  428   HG21  ILE  56          HG21      ILE  56   4.644  31.493  -3.020
  429   HG22  ILE  56          HG22      ILE  56   3.113  30.935  -2.352
  430   HG23  ILE  56          HG23      ILE  56   4.526  30.950  -1.326
  431   HD11  ILE  56          HD11      ILE  56   2.110  30.246  -4.330
  432   HD12  ILE  56          HD12      ILE  56   1.995  28.604  -5.007
  433   HD13  ILE  56          HD13      ILE  56   1.887  28.873  -3.214
  434    H    LYS  57           H        LYS  57   7.394  31.083  -1.926
  435    HA   LYS  57           HA       LYS  57   8.723  29.678   0.270
  436    HB2  LYS  57           HB2      LYS  57   8.474  32.633  -0.473
  437    HB3  LYS  57           HB3      LYS  57   9.427  32.020   0.886
  438    HG2  LYS  57           HG2      LYS  57  10.783  30.643  -0.723
  439    HG3  LYS  57           HG3      LYS  57   9.919  31.397  -2.065
  440    HD2  LYS  57           HD2      LYS  57  11.631  32.860  -0.007
  441    HD3  LYS  57           HD3      LYS  57  12.130  32.425  -1.646
  442    HE2  LYS  57           HE2      LYS  57  10.313  33.838  -2.583
  443    HE3  LYS  57           HE3      LYS  57   9.836  34.317  -0.944
  444    HZ1  LYS  57           HZ1      LYS  57  12.470  34.864  -2.184
  445    HZ2  LYS  57           HZ2      LYS  57  11.280  35.956  -1.973
  446    HZ3  LYS  57           HZ3      LYS  57  12.029  35.309  -0.673
  447    HA   PRO  58           HA       PRO  58   5.249  30.472   2.984
  448    HB2  PRO  58           HB2      PRO  58   7.364  31.007   5.065
  449    HB3  PRO  58           HB3      PRO  58   5.906  29.954   5.196
  450    HG2  PRO  58           HG2      PRO  58   8.397  28.914   4.893
  451    HG3  PRO  58           HG3      PRO  58   7.005  28.218   4.000
  452    HD2  PRO  58           HD2      PRO  58   9.049  30.243   3.040
  453    HD3  PRO  58           HD3      PRO  58   8.431  28.761   2.214
  454    H    GLN  59           H        GLN  59   4.222  32.289   2.863
  455    HA   GLN  59           HA       GLN  59   5.534  34.900   3.434
  456    HB2  GLN  59           HB2      GLN  59   4.049  34.037   0.918
  457    HB3  GLN  59           HB3      GLN  59   4.162  35.733   1.388
  458    HG2  GLN  59           HG2      GLN  59   6.530  35.792   1.127
  459    HG3  GLN  59           HG3      GLN  59   6.672  34.042   1.074
  460   HE21  GLN  59          HE21      GLN  59   5.726  32.875  -0.764
  461   HE22  GLN  59          HE22      GLN  59   5.661  33.673  -2.337
  462    H    LYS  60           H        LYS  60   4.093  36.398   4.192
  463    HA   LYS  60           HA       LYS  60   1.817  35.707   5.613
  464    HB2  LYS  60           HB2      LYS  60   2.519  38.333   4.240
  465    HB3  LYS  60           HB3      LYS  60   1.084  38.140   5.258
  466    HG2  LYS  60           HG2      LYS  60   2.475  37.457   7.182
  467    HG3  LYS  60           HG3      LYS  60   3.930  37.543   6.182
  468    HD2  LYS  60           HD2      LYS  60   3.819  39.504   7.563
  469    HD3  LYS  60           HD3      LYS  60   3.593  39.977   5.870
  470    HE2  LYS  60           HE2      LYS  60   1.140  40.104   6.229
  471    HE3  LYS  60           HE3      LYS  60   1.352  39.595   7.910
  472    HZ1  LYS  60           HZ1      LYS  60   2.420  42.100   6.731
  473    HZ2  LYS  60           HZ2      LYS  60   1.142  41.990   7.735
  474    HZ3  LYS  60           HZ3      LYS  60   2.635  41.624   8.284
  475    H    LEU  61           H        LEU  61  -0.222  35.792   5.400
  476    HA   LEU  61           HA       LEU  61  -1.439  34.932   2.844
  477    HB2  LEU  61           HB2      LEU  61  -0.754  33.096   4.248
  478    HB3  LEU  61           HB3      LEU  61  -1.241  33.861   5.698
  479    HG   LEU  61           HG       LEU  61  -3.450  33.222   3.755
  480   HD11  LEU  61          HD11      LEU  61  -2.158  31.300   3.520
  481   HD12  LEU  61          HD12      LEU  61  -1.817  31.208   5.271
  482   HD13  LEU  61          HD13      LEU  61  -3.455  30.946   4.645
  483   HD21  LEU  61          HD21      LEU  61  -3.834  34.319   6.040
  484   HD22  LEU  61          HD22      LEU  61  -4.616  32.745   5.863
  485   HD23  LEU  61          HD23      LEU  61  -3.101  32.904   6.789
  486    H    GLY  62           H        GLY  62  -3.880  34.849   3.088
  487    HA2  GLY  62           HA2      GLY  62  -5.865  35.470   4.103
  488    HA3  GLY  62           HA3      GLY  62  -5.035  36.647   5.128
  489    H    GLU  63           H        GLU  63  -4.633  36.482   1.596
  490    HA   GLU  63           HA       GLU  63  -5.702  39.203   1.287
  491    HB2  GLU  63           HB2      GLU  63  -5.281  38.912  -1.086
  492    HB3  GLU  63           HB3      GLU  63  -3.842  38.566  -0.131
  493    HG2  GLU  63           HG2      GLU  63  -4.179  36.145  -0.440
  494    HG3  GLU  63           HG3      GLU  63  -5.693  36.448  -1.299
  495    H    ASP  64           H        ASP  64  -6.801  35.895   1.164
  496    HA   ASP  64           HA       ASP  64  -9.582  36.751   1.162
  497    HB2  ASP  64           HB2      ASP  64  -9.155  36.747  -1.285
  498    HB3  ASP  64           HB3      ASP  64  -8.538  35.095  -1.180
  499    H    GLU  65           H        GLU  65  -7.113  34.184   1.317
  500    HA   GLU  65           HA       GLU  65  -9.088  32.108   1.818
  501    HB2  GLU  65           HB2      GLU  65  -7.243  30.595   1.530
  502    HB3  GLU  65           HB3      GLU  65  -7.136  31.795   0.252
  503    HG2  GLU  65           HG2      GLU  65  -5.471  31.850   2.804
  504    HG3  GLU  65           HG3      GLU  65  -5.074  31.001   1.308
  505    H    SER  66           H        SER  66  -8.328  34.277   3.959
  506    HA   SER  66           HA       SER  66  -6.682  33.407   5.910
  507    HB2  SER  66           HB2      SER  66  -9.378  34.546   6.579
  508    HB3  SER  66           HB3      SER  66  -7.856  34.671   7.493
  509    HG   SER  66           HG       SER  66  -8.323  36.581   6.228
  510    H    ILE  67           H        ILE  67  -6.409  31.604   7.075
  511    HA   ILE  67           HA       ILE  67  -8.440  29.603   7.256
  512    HB   ILE  67           HB       ILE  67  -6.653  28.966   9.190
  513   HG12  ILE  67          HG12      ILE  67  -4.963  30.748   8.635
  514   HG13  ILE  67          HG13      ILE  67  -4.420  29.103   8.589
  515   HG21  ILE  67          HG21      ILE  67  -7.470  27.506   7.651
  516   HG22  ILE  67          HG22      ILE  67  -6.426  28.202   6.371
  517   HG23  ILE  67          HG23      ILE  67  -5.718  27.356   7.814
  518   HD11  ILE  67          HD11      ILE  67  -4.224  29.003   6.300
  519   HD12  ILE  67          HD12      ILE  67  -5.227  30.461   6.048
  520   HD13  ILE  67          HD13      ILE  67  -3.626  30.587   6.807
  521    HA   PRO  68           HA       PRO  68 -10.129  31.045  11.230
  522    HB2  PRO  68           HB2      PRO  68 -11.771  28.975  11.851
  523    HB3  PRO  68           HB3      PRO  68 -12.151  30.133  10.539
  524    HG2  PRO  68           HG2      PRO  68 -10.937  27.373  10.303
  525    HG3  PRO  68           HG3      PRO  68 -12.244  28.096   9.319
  526    HD2  PRO  68           HD2      PRO  68  -9.591  28.049   8.527
  527    HD3  PRO  68           HD3      PRO  68 -10.722  29.335   8.030
  528    H    GLU  69           H        GLU  69  -9.608  30.650  13.406
  529    HA   GLU  69           HA       GLU  69  -7.251  29.331  14.001
  530    HB2  GLU  69           HB2      GLU  69  -9.463  30.085  15.913
  531    HB3  GLU  69           HB3      GLU  69  -7.789  29.655  16.343
  532    HG2  GLU  69           HG2      GLU  69  -6.945  31.553  14.997
  533    HG3  GLU  69           HG3      GLU  69  -8.604  32.032  14.623
  534    H    GLU  70           H        GLU  70 -10.452  28.010  13.831
  535    HA   GLU  70           HA       GLU  70 -10.377  25.733  15.434
  536    HB2  GLU  70           HB2      GLU  70 -11.656  26.158  12.692
  537    HB3  GLU  70           HB3      GLU  70 -12.052  24.835  13.782
  538    HG2  GLU  70           HG2      GLU  70 -12.484  27.800  14.371
  539    HG3  GLU  70           HG3      GLU  70 -13.716  26.650  13.874
  540    H    ILE  71           H        ILE  71  -8.936  26.202  12.176
  541    HA   ILE  71           HA       ILE  71  -8.030  23.346  12.281
  542    HB   ILE  71           HB       ILE  71  -7.753  23.440   9.879
  543   HG12  ILE  71          HG12      ILE  71  -9.084  26.177   9.947
  544   HG13  ILE  71          HG13      ILE  71  -7.420  25.866   9.473
  545   HG21  ILE  71          HG21      ILE  71 -10.554  24.307  10.661
  546   HG22  ILE  71          HG22      ILE  71 -10.088  23.156   9.398
  547   HG23  ILE  71          HG23      ILE  71  -9.868  22.715  11.090
  548   HD11  ILE  71          HD11      ILE  71  -9.912  24.814   8.024
  549   HD12  ILE  71          HD12      ILE  71  -8.929  26.124   7.461
  550   HD13  ILE  71          HD13      ILE  71  -8.222  24.506   7.543
  551    H    ILE  72           H        ILE  72  -6.891  26.612  12.341
  552    HA   ILE  72           HA       ILE  72  -4.501  26.609  11.094
  553    HB   ILE  72           HB       ILE  72  -5.925  28.012  13.263
  554   HG12  ILE  72          HG12      ILE  72  -4.433  28.589  10.710
  555   HG13  ILE  72          HG13      ILE  72  -6.167  28.401  11.020
  556   HG21  ILE  72          HG21      ILE  72  -2.987  28.624  13.145
  557   HG22  ILE  72          HG22      ILE  72  -4.278  29.562  13.960
  558   HG23  ILE  72          HG23      ILE  72  -3.925  27.950  14.528
  559   HD11  ILE  72          HD11      ILE  72  -5.655  30.645  10.621
  560   HD12  ILE  72          HD12      ILE  72  -6.046  30.482  12.359
  561   HD13  ILE  72          HD13      ILE  72  -4.333  30.622  11.805
  562    H    ASN  73           H        ASN  73  -5.146  25.411  14.231
  563    HA   ASN  73           HA       ASN  73  -2.542  25.189  15.337
  564    HB2  ASN  73           HB2      ASN  73  -3.781  23.831  16.991
  565    HB3  ASN  73           HB3      ASN  73  -4.574  25.377  16.611
  566   HD21  ASN  73          HD21      ASN  73  -6.714  25.355  15.706
  567   HD22  ASN  73          HD22      ASN  73  -7.523  23.896  15.252
  568    H    GLY  74           H        GLY  74  -3.575  23.639  12.709
  569    HA2  GLY  74           HA2      GLY  74  -1.633  21.429  13.060
  570    HA3  GLY  74           HA3      GLY  74  -3.266  20.939  12.581
  571    H    LYS  75           H        LYS  75  -1.570  20.275  11.086
  572    HA   LYS  75           HA       LYS  75  -0.710  21.808   8.850
  573    HB2  LYS  75           HB2      LYS  75  -1.349  18.925   9.470
  574    HB3  LYS  75           HB3      LYS  75  -1.376  19.391   7.783
  575    HG2  LYS  75           HG2      LYS  75   0.927  20.081   9.598
  576    HG3  LYS  75           HG3      LYS  75   0.839  18.531   8.719
  577    HD2  LYS  75           HD2      LYS  75   1.349  19.413   6.693
  578    HD3  LYS  75           HD3      LYS  75   0.378  20.856   6.956
  579    HE2  LYS  75           HE2      LYS  75   2.703  21.506   6.747
  580    HE3  LYS  75           HE3      LYS  75   2.103  21.841   8.368
  581    HZ1  LYS  75           HZ1      LYS  75   4.219  20.928   8.598
  582    HZ2  LYS  75           HZ2      LYS  75   3.218  19.725   9.053
  583    HZ3  LYS  75           HZ3      LYS  75   3.930  19.659   7.572
  584    H    CYS  76           H        CYS  76  -1.893  22.847   7.349
  585    HA   CYS  76           HA       CYS  76  -4.757  22.071   7.066
  586    HB2  CYS  76           HB2      CYS  76  -3.728  24.940   7.010
  587    HB3  CYS  76           HB3      CYS  76  -5.332  24.413   6.523
  588    HG   CYS  76           HG       CYS  76  -3.886  23.904   9.467
  589    H    PHE  77           H        PHE  77  -5.424  21.873   5.016
  590    HA   PHE  77           HA       PHE  77  -3.373  22.317   2.889
  591    HB2  PHE  77           HB2      PHE  77  -5.448  20.104   3.073
  592    HB3  PHE  77           HB3      PHE  77  -4.238  20.345   1.810
  593    HD1  PHE  77           HD1      PHE  77  -1.800  20.525   2.598
  594    HD2  PHE  77           HD2      PHE  77  -4.910  18.967   5.045
  595    HE1  PHE  77           HE1      PHE  77  -0.052  19.543   4.096
  596    HE2  PHE  77           HE2      PHE  77  -3.232  18.021   6.584
  597    HZ   PHE  77           HZ       PHE  77  -0.787  18.176   6.049
  598    H    PHE  78           H        PHE  78  -3.971  23.940   1.698
  599    HA   PHE  78           HA       PHE  78  -6.724  24.796   1.228
  600    HB2  PHE  78           HB2      PHE  78  -4.666  26.297   1.073
  601    HB3  PHE  78           HB3      PHE  78  -4.216  25.415  -0.376
  602    HD1  PHE  78           HD1      PHE  78  -7.036  27.355   1.166
  603    HD2  PHE  78           HD2      PHE  78  -5.093  26.076  -2.450
  604    HE1  PHE  78           HE1      PHE  78  -8.517  28.839  -0.157
  605    HE2  PHE  78           HE2      PHE  78  -6.467  27.663  -3.758
  606    HZ   PHE  78           HZ       PHE  78  -8.167  29.082  -2.606
  607    H    ILE  79           H        ILE  79  -8.016  23.365   0.113
  608    HA   ILE  79           HA       ILE  79  -6.675  21.571  -1.827
  609    HB   ILE  79           HB       ILE  79  -8.597  19.997  -1.184
  610   HG12  ILE  79          HG12      ILE  79  -8.782  21.653   1.315
  611   HG13  ILE  79          HG13      ILE  79  -9.826  21.972  -0.075
  612   HG21  ILE  79          HG21      ILE  79  -6.234  20.685   0.555
  613   HG22  ILE  79          HG22      ILE  79  -7.431  19.558   1.161
  614   HG23  ILE  79          HG23      ILE  79  -6.611  19.201  -0.347
  615   HD11  ILE  79          HD11      ILE  79 -10.822  19.829   0.023
  616   HD12  ILE  79          HD12      ILE  79  -9.882  19.442   1.494
  617   HD13  ILE  79          HD13      ILE  79 -11.042  20.814   1.481
  618    H    HIS  80           H        HIS  80  -7.707  21.104  -3.767
  619    HA   HIS  80           HA       HIS  80  -9.951  22.919  -4.498
  620    HB2  HIS  80           HB2      HIS  80  -8.285  22.404  -6.183
  621    HB3  HIS  80           HB3      HIS  80  -8.649  20.674  -6.020
  622    HD2  HIS  80           HD2      HIS  80 -11.269  23.539  -6.392
  623    HE1  HIS  80           HE1      HIS  80 -11.623  21.027  -9.805
  624    HE2  HIS  80           HE2      HIS  80 -12.515  23.119  -8.671
  625    H    TYR  81           H        TYR  81 -11.792  22.351  -3.627
  626    HA   TYR  81           HA       TYR  81 -12.413  19.645  -2.737
  627    HB2  TYR  81           HB2      TYR  81 -13.928  22.232  -2.787
  628    HB3  TYR  81           HB3      TYR  81 -14.813  20.730  -2.673
  629    HD1  TYR  81           HD1      TYR  81 -13.434  19.021  -0.895
  630    HD2  TYR  81           HD2      TYR  81 -13.855  23.271  -0.593
  631    HE1  TYR  81           HE1      TYR  81 -13.726  18.796   1.546
  632    HE2  TYR  81           HE2      TYR  81 -14.064  23.099   1.850
  633    HH   TYR  81           HH       TYR  81 -14.155  19.943   3.572
  634    H    GLN  82           H        GLN  82 -12.440  18.201  -4.379
  635    HA   GLN  82           HA       GLN  82 -13.306  18.952  -7.069
  636    HB2  GLN  82           HB2      GLN  82 -12.604  16.140  -6.220
  637    HB3  GLN  82           HB3      GLN  82 -12.506  16.879  -7.808
  638    HG2  GLN  82           HG2      GLN  82 -10.637  18.349  -6.929
  639    HG3  GLN  82           HG3      GLN  82 -10.722  17.437  -5.414
  640   HE21  GLN  82          HE21      GLN  82  -9.423  15.694  -5.217
  641   HE22  GLN  82          HE22      GLN  82  -8.712  14.825  -6.565
  642    H    GLY  83           H        GLY  83 -14.911  17.603  -8.239
  643    HA2  GLY  83           HA2      GLY  83 -17.061  16.723  -8.433
  644    HA3  GLY  83           HA3      GLY  83 -17.070  16.352  -6.698
  645    H    TRP  84           H        TRP  84 -16.060  19.514  -6.822
  646    HA   TRP  84           HA       TRP  84 -18.796  20.667  -6.956
  647    HB2  TRP  84           HB2      TRP  84 -16.882  21.021  -4.604
  648    HB3  TRP  84           HB3      TRP  84 -18.459  21.803  -4.833
  649    HD1  TRP  84           HD1      TRP  84 -17.034  18.861  -3.153
  650    HE1  TRP  84           HE1      TRP  84 -18.958  17.422  -2.224
  651    HE3  TRP  84           HE3      TRP  84 -20.870  20.875  -5.825
  652    HZ2  TRP  84           HZ2      TRP  84 -21.796  17.349  -2.469
  653    HZ3  TRP  84           HZ3      TRP  84 -23.221  20.102  -5.464
  654    HH2  TRP  84           HH2      TRP  84 -23.705  18.346  -3.762
  655    H    LYS  85           H        LYS  85 -18.605  23.127  -6.666
  656    HA   LYS  85           HA       LYS  85 -17.260  24.044  -8.996
  657    HB2  LYS  85           HB2      LYS  85 -18.300  25.657  -6.610
  658    HB3  LYS  85           HB3      LYS  85 -17.926  26.316  -8.190
  659    HG2  LYS  85           HG2      LYS  85 -20.163  24.353  -7.507
  660    HG3  LYS  85           HG3      LYS  85 -20.344  26.057  -7.892
  661    HD2  LYS  85           HD2      LYS  85 -19.414  23.896  -9.828
  662    HD3  LYS  85           HD3      LYS  85 -21.018  24.635  -9.760
  663    HE2  LYS  85           HE2      LYS  85 -20.004  26.871 -10.253
  664    HE3  LYS  85           HE3      LYS  85 -18.417  26.109 -10.382
  665    HZ1  LYS  85           HZ1      LYS  85 -20.734  25.517 -12.132
  666    HZ2  LYS  85           HZ2      LYS  85 -19.422  26.397 -12.540
  667    HZ3  LYS  85           HZ3      LYS  85 -19.269  24.800 -12.240
  668    H    SER  86           H        SER  86 -15.239  24.959  -9.295
  669    HA   SER  86           HA       SER  86 -13.218  24.776  -7.387
  670    HB2  SER  86           HB2      SER  86 -13.322  26.673  -9.757
  671    HB3  SER  86           HB3      SER  86 -11.868  26.027  -8.958
  672    HG   SER  86           HG       SER  86 -12.516  24.869 -10.898
  673    H    SER  87           H        SER  87 -15.736  27.157  -7.362
  674    HA   SER  87           HA       SER  87 -14.430  29.284  -6.022
  675    HB2  SER  87           HB2      SER  87 -17.229  28.250  -5.453
  676    HB3  SER  87           HB3      SER  87 -16.639  29.915  -5.342
  677    HG   SER  87           HG       SER  87 -17.837  29.605  -7.262
  678    H    TRP  88           H        TRP  88 -15.317  26.020  -5.009
  679    HA   TRP  88           HA       TRP  88 -14.936  26.446  -2.163
  680    HB2  TRP  88           HB2      TRP  88 -15.295  23.939  -3.869
  681    HB3  TRP  88           HB3      TRP  88 -15.135  23.970  -2.138
  682    HD1  TRP  88           HD1      TRP  88 -17.609  26.336  -3.879
  683    HE1  TRP  88           HE1      TRP  88 -19.883  25.837  -2.870
  684    HE3  TRP  88           HE3      TRP  88 -16.345  22.258  -1.084
  685    HZ2  TRP  88           HZ2      TRP  88 -21.109  23.728  -1.231
  686    HZ3  TRP  88           HZ3      TRP  88 -18.087  20.974   0.151
  687    HH2  TRP  88           HH2      TRP  88 -20.465  21.713   0.098
  688    H    ASP  89           H        ASP  89 -12.585  27.109  -4.035
  689    HA   ASP  89           HA       ASP  89 -10.550  25.102  -3.315
  690    HB2  ASP  89           HB2      ASP  89 -10.429  27.937  -4.406
  691    HB3  ASP  89           HB3      ASP  89  -9.003  27.078  -3.825
  692    H    GLU  90           H        GLU  90 -10.739  24.743  -1.041
  693    HA   GLU  90           HA       GLU  90 -10.463  27.139   0.757
  694    HB2  GLU  90           HB2      GLU  90 -12.828  26.339   0.443
  695    HB3  GLU  90           HB3      GLU  90 -12.303  24.705   0.909
  696    HG2  GLU  90           HG2      GLU  90 -12.242  25.176   3.117
  697    HG3  GLU  90           HG3      GLU  90 -11.696  26.831   2.903
  698    H    TRP  91           H        TRP  91  -9.157  26.694   2.685
  699    HA   TRP  91           HA       TRP  91  -7.917  24.099   2.697
  700    HB2  TRP  91           HB2      TRP  91  -7.677  25.538   5.265
  701    HB3  TRP  91           HB3      TRP  91  -6.478  24.666   4.356
  702    HD1  TRP  91           HD1      TRP  91  -8.373  27.970   4.267
  703    HE1  TRP  91           HE1      TRP  91  -6.724  29.825   3.984
  704    HE3  TRP  91           HE3      TRP  91  -3.987  25.292   3.792
  705    HZ2  TRP  91           HZ2      TRP  91  -4.056  30.132   2.820
  706    HZ3  TRP  91           HZ3      TRP  91  -1.905  26.475   3.114
  707    HH2  TRP  91           HH2      TRP  91  -1.997  28.945   2.551
  708    H    VAL  92           H        VAL  92  -7.830  22.607   4.292
  709    HA   VAL  92           HA       VAL  92  -9.868  22.709   6.470
  710    HB   VAL  92           HB       VAL  92 -10.161  20.206   6.171
  711   HG11  VAL  92          HG11      VAL  92 -11.306  21.903   3.942
  712   HG12  VAL  92          HG12      VAL  92 -11.911  20.343   4.553
  713   HG13  VAL  92          HG13      VAL  92 -11.958  21.779   5.603
  714   HG21  VAL  92          HG21      VAL  92  -9.210  20.747   3.351
  715   HG22  VAL  92          HG22      VAL  92  -8.346  19.822   4.575
  716   HG23  VAL  92          HG23      VAL  92  -9.921  19.242   3.977
  717    H    GLY  93           H        GLY  93  -9.280  21.402   8.287
  718    HA2  GLY  93           HA2      GLY  93  -6.358  21.051   8.617
  719    HA3  GLY  93           HA3      GLY  93  -7.577  21.080   9.897
  720    H    TYR  94           H        TYR  94  -5.768  19.094   9.887
  721    HA   TYR  94           HA       TYR  94  -6.424  16.753   8.461
  722    HB2  TYR  94           HB2      TYR  94  -4.475  17.632  10.237
  723    HB3  TYR  94           HB3      TYR  94  -5.207  16.243  11.064
  724    HD1  TYR  94           HD1      TYR  94  -5.711  14.205   9.376
  725    HD2  TYR  94           HD2      TYR  94  -2.801  17.305   8.766
  726    HE1  TYR  94           HE1      TYR  94  -4.705  12.865   7.560
  727    HE2  TYR  94           HE2      TYR  94  -1.828  15.990   6.867
  728    HH   TYR  94           HH       TYR  94  -2.948  12.666   6.041
  729    H    ASP  95           H        ASP  95  -7.847  18.081  11.298
  730    HA   ASP  95           HA       ASP  95  -9.270  15.825  12.311
  731    HB2  ASP  95           HB2      ASP  95  -9.207  17.973  13.486
  732    HB3  ASP  95           HB3      ASP  95 -10.099  18.747  12.170
  733    H    ARG  96           H        ARG  96  -9.727  17.718   9.372
  734    HA   ARG  96           HA       ARG  96 -12.316  16.344   8.813
  735    HB2  ARG  96           HB2      ARG  96 -10.965  18.619   7.344
  736    HB3  ARG  96           HB3      ARG  96 -12.579  18.000   7.034
  737    HG2  ARG  96           HG2      ARG  96 -11.730  19.486   9.575
  738    HG3  ARG  96           HG3      ARG  96 -12.505  20.192   8.166
  739    HD2  ARG  96           HD2      ARG  96 -14.258  19.887   9.674
  740    HD3  ARG  96           HD3      ARG  96 -14.437  18.576   8.512
  741    HE   ARG  96           HE       ARG  96 -13.103  18.251  11.196
  742   HH11  ARG  96          HH11      ARG  96 -15.508  17.016   8.866
  743   HH12  ARG  96          HH12      ARG  96 -16.108  15.819   9.974
  744   HH21  ARG  96          HH21      ARG  96 -13.740  16.699  12.500
  745   HH22  ARG  96          HH22      ARG  96 -15.024  15.565  12.111
  746    H    ILE  97           H        ILE  97  -8.996  16.938   7.383
  747    HA   ILE  97           HA       ILE  97  -9.797  15.146   5.197
  748    HB   ILE  97           HB       ILE  97  -9.050  17.486   4.925
  749   HG12  ILE  97          HG12      ILE  97  -7.396  15.477   3.352
  750   HG13  ILE  97          HG13      ILE  97  -9.016  16.063   2.953
  751   HG21  ILE  97          HG21      ILE  97  -6.154  16.681   5.038
  752   HG22  ILE  97          HG22      ILE  97  -6.999  18.269   5.112
  753   HG23  ILE  97          HG23      ILE  97  -6.969  17.215   6.538
  754   HD11  ILE  97          HD11      ILE  97  -7.621  17.344   1.607
  755   HD12  ILE  97          HD12      ILE  97  -7.951  18.402   2.955
  756   HD13  ILE  97          HD13      ILE  97  -6.394  17.568   2.865
  757    H    ARG  98           H        ARG  98  -8.503  13.652   4.228
  758    HA   ARG  98           HA       ARG  98  -5.946  12.822   5.495
  759    HB2  ARG  98           HB2      ARG  98  -8.157  10.991   4.671
  760    HB3  ARG  98           HB3      ARG  98  -6.452  10.528   4.968
  761    HG2  ARG  98           HG2      ARG  98  -6.727  11.312   7.365
  762    HG3  ARG  98           HG3      ARG  98  -8.450  11.647   7.013
  763    HD2  ARG  98           HD2      ARG  98  -8.638   9.352   6.118
  764    HD3  ARG  98           HD3      ARG  98  -6.985   9.014   6.665
  765    HE   ARG  98           HE       ARG  98  -8.054   9.687   8.990
  766   HH11  ARG  98          HH11      ARG  98  -9.625   7.731   6.422
  767   HH12  ARG  98          HH12      ARG  98 -10.594   6.833   7.532
  768   HH21  ARG  98          HH21      ARG  98  -9.370   8.467  10.440
  769   HH22  ARG  98          HH22      ARG  98 -10.450   7.255   9.847
  770    H    ALA  99           H        ALA  99  -4.613  11.751   3.773
  771    HA   ALA  99           HA       ALA  99  -4.956  12.891   1.135
  772    HB1  ALA  99           HB1      ALA  99  -2.869  11.879   0.666
  773    HB2  ALA  99           HB2      ALA  99  -2.826  12.361   2.380
  774    HB3  ALA  99           HB3      ALA  99  -3.159  10.664   1.996
  775    H    TYR 100           H        TYR 100  -4.575  11.335  -0.795
  776    HA   TYR 100           HA       TYR 100  -6.898   9.700  -0.994
  777    HB2  TYR 100           HB2      TYR 100  -5.218  10.879  -2.768
  778    HB3  TYR 100           HB3      TYR 100  -4.722   9.224  -2.934
  779    HD1  TYR 100           HD1      TYR 100  -7.949  11.195  -2.712
  780    HD2  TYR 100           HD2      TYR 100  -5.885   7.838  -4.473
  781    HE1  TYR 100           HE1      TYR 100  -9.917  10.739  -4.129
  782    HE2  TYR 100           HE2      TYR 100  -7.861   7.371  -5.899
  783    HH   TYR 100           HH       TYR 100 -10.844   9.374  -5.795
  784    H    ASN 101           H        ASN 101  -7.189   7.622  -0.410
  785    HA   ASN 101           HA       ASN 101  -5.292   5.578  -1.050
  786    HB2  ASN 101           HB2      ASN 101  -4.802   4.695   1.179
  787    HB3  ASN 101           HB3      ASN 101  -4.191   6.324   1.020
  788   HD21  ASN 101          HD21      ASN 101  -4.810   7.856   2.416
  789   HD22  ASN 101          HD22      ASN 101  -6.058   7.637   3.622
  790    H    GLU 102           H        GLU 102  -5.978   3.398  -0.283
  791    HA   GLU 102           HA       GLU 102  -8.551   2.847  -1.189
  792    HB2  GLU 102           HB2      GLU 102  -6.542   1.351  -1.196
  793    HB3  GLU 102           HB3      GLU 102  -6.750   1.104   0.546
  794    HG2  GLU 102           HG2      GLU 102  -8.951   0.059   0.159
  795    HG3  GLU 102           HG3      GLU 102  -8.835   0.420  -1.570
  796    H    GLU 103           H        GLU 103  -7.437   3.345   2.178
  797    HA   GLU 103           HA       GLU 103  -9.853   2.308   3.403
  798    HB2  GLU 103           HB2      GLU 103  -8.161   2.238   4.898
  799    HB3  GLU 103           HB3      GLU 103  -7.327   3.633   4.253
  800    HG2  GLU 103           HG2      GLU 103  -8.947   5.156   5.344
  801    HG3  GLU 103           HG3      GLU 103  -9.798   3.754   6.018
  802    H    ASN 104           H        ASN 104  -8.942   5.377   1.879
  803    HA   ASN 104           HA       ASN 104 -11.244   6.802   3.140
  804    HB2  ASN 104           HB2      ASN 104  -9.113   7.792   1.303
  805    HB3  ASN 104           HB3      ASN 104 -10.489   8.710   1.973
  806   HD21  ASN 104          HD21      ASN 104  -7.539   9.114   2.410
  807   HD22  ASN 104          HD22      ASN 104  -7.408   9.089   4.145
  808    H    ILE 105           H        ILE 105 -10.345   5.080   0.243
  809    HA   ILE 105           HA       ILE 105 -12.740   5.864  -1.207
  810    HB   ILE 105           HB       ILE 105 -10.434   3.972  -1.395
  811   HG12  ILE 105          HG12      ILE 105  -9.598   5.440  -2.902
  812   HG13  ILE 105          HG13      ILE 105 -11.196   5.811  -3.603
  813   HG21  ILE 105          HG21      ILE 105 -12.835   4.024  -3.190
  814   HG22  ILE 105          HG22      ILE 105 -11.258   3.292  -3.639
  815   HG23  ILE 105          HG23      ILE 105 -12.171   2.668  -2.249
  816   HD11  ILE 105          HD11      ILE 105  -9.958   7.168  -1.175
  817   HD12  ILE 105          HD12      ILE 105 -10.060   7.823  -2.796
  818   HD13  ILE 105          HD13      ILE 105 -11.546   7.572  -1.863
  819    H    ALA 106           H        ALA 106 -11.816   3.347   1.134
  820    HA   ALA 106           HA       ALA 106 -14.199   1.779   0.805
  821    HB1  ALA 106           HB1      ALA 106 -12.357   2.122   3.217
  822    HB2  ALA 106           HB2      ALA 106 -13.484   0.774   2.918
  823    HB3  ALA 106           HB3      ALA 106 -12.073   1.025   1.855
  824    H    MET 107           H        MET 107 -13.211   4.493   2.946
  825    HA   MET 107           HA       MET 107 -15.804   4.789   4.117
  826    HB2  MET 107           HB2      MET 107 -14.958   6.452   5.361
  827    HB3  MET 107           HB3      MET 107 -13.425   5.813   4.757
  828    HG2  MET 107           HG2      MET 107 -13.793   7.630   2.889
  829    HG3  MET 107           HG3      MET 107 -14.911   8.317   4.054
  830    HE1  MET 107           HE1      MET 107 -13.554  10.500   4.138
  831    HE2  MET 107           HE2      MET 107 -11.772  10.577   3.987
  832    HE3  MET 107           HE3      MET 107 -12.755   9.708   2.737
  833    H    LYS 108           H        LYS 108 -14.347   6.297   1.137
  834    HA   LYS 108           HA       LYS 108 -16.450   7.921   0.454
  835    HB2  LYS 108           HB2      LYS 108 -14.435   7.810  -1.006
  836    HB3  LYS 108           HB3      LYS 108 -14.808   6.174  -1.430
  837    HG2  LYS 108           HG2      LYS 108 -15.382   7.469  -3.299
  838    HG3  LYS 108           HG3      LYS 108 -16.817   6.756  -2.643
  839    HD2  LYS 108           HD2      LYS 108 -17.714   8.807  -3.020
  840    HD3  LYS 108           HD3      LYS 108 -17.049   9.217  -1.449
  841    HE2  LYS 108           HE2      LYS 108 -16.190  10.933  -2.818
  842    HE3  LYS 108           HE3      LYS 108 -14.842   9.777  -2.834
  843    HZ1  LYS 108           HZ1      LYS 108 -16.898  10.084  -4.949
  844    HZ2  LYS 108           HZ2      LYS 108 -15.342  10.604  -5.038
  845    HZ3  LYS 108           HZ3      LYS 108 -15.665   8.996  -4.991
  846    H    LYS 109           H        LYS 109 -16.010   4.519  -0.714
  847    HA   LYS 109           HA       LYS 109 -18.526   4.467  -1.965
  848    HB2  LYS 109           HB2      LYS 109 -18.117   2.168  -2.450
  849    HB3  LYS 109           HB3      LYS 109 -16.571   3.038  -2.500
  850    HG2  LYS 109           HG2      LYS 109 -16.101   2.110  -0.217
  851    HG3  LYS 109           HG3      LYS 109 -17.546   1.099  -0.412
  852    HD2  LYS 109           HD2      LYS 109 -16.617   0.206  -2.559
  853    HD3  LYS 109           HD3      LYS 109 -15.159   1.229  -2.347
  854    HE2  LYS 109           HE2      LYS 109 -14.619   0.134  -0.298
  855    HE3  LYS 109           HE3      LYS 109 -16.142  -0.780  -0.329
  856    HZ1  LYS 109           HZ1      LYS 109 -14.273  -2.143  -1.080
  857    HZ2  LYS 109           HZ2      LYS 109 -15.335  -1.936  -2.300
  858    HZ3  LYS 109           HZ3      LYS 109 -13.924  -1.093  -2.283
  859    H    ARG 110           H        ARG 110 -17.726   3.393   1.369
  860    HA   ARG 110           HA       ARG 110 -20.348   2.255   1.749
  861    HB2  ARG 110           HB2      ARG 110 -19.777   1.817   3.916
  862    HB3  ARG 110           HB3      ARG 110 -18.249   1.749   3.067
  863    HG2  ARG 110           HG2      ARG 110 -17.633   2.846   4.976
  864    HG3  ARG 110           HG3      ARG 110 -17.952   4.224   3.928
  865    HD2  ARG 110           HD2      ARG 110 -20.210   4.451   4.940
  866    HD3  ARG 110           HD3      ARG 110 -19.916   3.039   5.946
  867    HE   ARG 110           HE       ARG 110 -18.891   5.765   6.278
  868   HH11  ARG 110          HH11      ARG 110 -18.485   2.388   7.311
  869   HH12  ARG 110          HH12      ARG 110 -17.684   2.791   8.789
  870   HH21  ARG 110          HH21      ARG 110 -17.824   6.300   8.245
  871   HH22  ARG 110          HH22      ARG 110 -17.313   5.052   9.325
  872    H    LEU 111           H        LEU 111 -19.059   5.577   2.298
  873    HA   LEU 111           HA       LEU 111 -21.556   6.558   3.430
  874    HB2  LEU 111           HB2      LEU 111 -19.456   8.007   1.793
  875    HB3  LEU 111           HB3      LEU 111 -20.786   8.726   2.697
  876    HG   LEU 111           HG       LEU 111 -18.753   7.110   4.201
  877   HD11  LEU 111          HD11      LEU 111 -17.682   8.857   2.630
  878   HD12  LEU 111          HD12      LEU 111 -18.406  10.097   3.687
  879   HD13  LEU 111          HD13      LEU 111 -17.221   8.920   4.307
  880   HD21  LEU 111          HD21      LEU 111 -20.802   7.774   5.346
  881   HD22  LEU 111          HD22      LEU 111 -19.439   8.698   6.002
  882   HD23  LEU 111          HD23      LEU 111 -20.578   9.464   4.857
  883    H    ALA 112           H        ALA 112 -20.196   6.470   0.128
  884    HA   ALA 112           HA       ALA 112 -22.240   7.804  -1.193
  885    HB1  ALA 112           HB1      ALA 112 -20.071   7.217  -2.205
  886    HB2  ALA 112           HB2      ALA 112 -20.591   5.515  -2.306
  887    HB3  ALA 112           HB3      ALA 112 -21.437   6.760  -3.241
  888    H    ASN 113           H        ASN 113 -22.521   4.600   0.201
  889    HA   ASN 113           HA       ASN 113 -24.803   3.790  -1.367
  890    HB2  ASN 113           HB2      ASN 113 -24.744   1.951  -0.157
  891    HB3  ASN 113           HB3      ASN 113 -23.296   2.560   0.607
  892   HD21  ASN 113          HD21      ASN 113 -23.499   3.537   2.779
  893   HD22  ASN 113          HD22      ASN 113 -24.889   3.152   3.773
  894    H    LEU 114           H        LEU 114 -24.428   6.109   1.263
  895    HA   LEU 114           HA       LEU 114 -27.252   6.382   1.878
  896    HB2  LEU 114           HB2      LEU 114 -25.525   6.806   3.565
  897    HB3  LEU 114           HB3      LEU 114 -24.827   8.071   2.545
  898    HG   LEU 114           HG       LEU 114 -26.824   9.451   2.750
  899   HD11  LEU 114          HD11      LEU 114 -28.542   8.874   4.478
  900   HD12  LEU 114          HD12      LEU 114 -28.564   7.766   3.095
  901   HD13  LEU 114          HD13      LEU 114 -27.817   7.253   4.626
  902   HD21  LEU 114          HD21      LEU 114 -25.646   8.496   5.391
  903   HD22  LEU 114          HD22      LEU 114 -24.928   9.668   4.262
  904   HD23  LEU 114          HD23      LEU 114 -26.438  10.071   5.099
  905    H    GLU 115           H        GLU 115 -24.807   8.170   0.052
  906    HA   GLU 115           HA       GLU 115 -26.138  10.441  -0.709
  907    HB2  GLU 115           HB2      GLU 115 -23.783   9.927  -1.226
  908    HB3  GLU 115           HB3      GLU 115 -24.286   8.805  -2.490
  909    HG2  GLU 115           HG2      GLU 115 -25.364  10.647  -3.729
  910    HG3  GLU 115           HG3      GLU 115 -24.938  11.776  -2.443
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   3.282  -0.283  -0.800
    2    H2   MET   1           H2       MET   1   2.690  -1.822  -0.771
    3    H3   MET   1           H3       MET   1   1.813  -0.607  -1.435
    4    HA   MET   1           HA       MET   1   0.916  -1.177   0.699
    5    HB2  MET   1           HB2      MET   1   3.687  -0.373   1.700
    6    HB3  MET   1           HB3      MET   1   2.269  -0.570   2.728
    7    HG2  MET   1           HG2      MET   1   2.048  -2.935   1.890
    8    HG3  MET   1           HG3      MET   1   3.630  -2.754   1.122
    9    HE1  MET   1           HE1      MET   1   5.324  -1.058   3.322
   10    HE2  MET   1           HE2      MET   1   6.057  -2.421   4.184
   11    HE3  MET   1           HE3      MET   1   5.900  -2.475   2.413
   12    H    VAL   2           H        VAL   2   0.171   0.538   2.290
   13    HA   VAL   2           HA       VAL   2  -0.295   3.016   0.897
   14    HB   VAL   2           HB       VAL   2  -1.517   3.592   2.986
   15   HG11  VAL   2          HG11      VAL   2  -2.257   0.890   1.774
   16   HG12  VAL   2          HG12      VAL   2  -3.347   2.000   2.628
   17   HG13  VAL   2          HG13      VAL   2  -2.630   2.486   1.083
   18   HG21  VAL   2          HG21      VAL   2  -0.193   2.282   4.619
   19   HG22  VAL   2          HG22      VAL   2  -1.926   1.960   4.720
   20   HG23  VAL   2          HG23      VAL   2  -0.859   0.774   3.949
   21    H    ASP   3           H        ASP   3   2.368   2.109   2.714
   22    HA   ASP   3           HA       ASP   3   3.122   4.369   4.177
   23    HB2  ASP   3           HB2      ASP   3   4.477   2.366   4.146
   24    HB3  ASP   3           HB3      ASP   3   4.813   2.555   2.419
   25    H    LEU   4           H        LEU   4   3.895   6.343   3.711
   26    HA   LEU   4           HA       LEU   4   3.939   8.320   2.710
   27    HB2  LEU   4           HB2      LEU   4   6.069   7.249   1.982
   28    HB3  LEU   4           HB3      LEU   4   5.315   6.871   0.433
   29    HG   LEU   4           HG       LEU   4   5.187   9.227  -0.152
   30   HD11  LEU   4          HD11      LEU   4   4.670  10.290   1.988
   31   HD12  LEU   4          HD12      LEU   4   6.256   9.810   2.642
   32   HD13  LEU   4          HD13      LEU   4   6.138  11.000   1.330
   33   HD21  LEU   4          HD21      LEU   4   7.565   9.770  -0.235
   34   HD22  LEU   4          HD22      LEU   4   7.903   8.572   1.039
   35   HD23  LEU   4          HD23      LEU   4   7.302   8.045  -0.547
   36    H    GLU   5           H        GLU   5   1.537   6.516   2.012
   37    HA   GLU   5           HA       GLU   5   0.452   8.377  -0.055
   38    HB2  GLU   5           HB2      GLU   5   0.958   6.225  -1.077
   39    HB3  GLU   5           HB3      GLU   5   0.016   5.377   0.160
   40    HG2  GLU   5           HG2      GLU   5  -2.040   6.368  -0.616
   41    HG3  GLU   5           HG3      GLU   5  -1.177   7.466  -1.708
   42    H    GLN   6           H        GLN   6  -0.255   6.292   2.825
   43    HA   GLN   6           HA       GLN   6  -2.814   7.327   3.362
   44    HB2  GLN   6           HB2      GLN   6  -1.267   5.375   4.405
   45    HB3  GLN   6           HB3      GLN   6  -0.871   6.655   5.567
   46    HG2  GLN   6           HG2      GLN   6  -3.379   6.948   5.887
   47    HG3  GLN   6           HG3      GLN   6  -3.582   5.525   4.844
   48   HE21  GLN   6          HE21      GLN   6  -2.521   6.648   8.062
   49   HE22  GLN   6          HE22      GLN   6  -2.395   5.059   8.778
   50    H    GLU   7           H        GLU   7   0.422   8.632   3.900
   51    HA   GLU   7           HA       GLU   7  -0.227  10.727   5.791
   52    HB2  GLU   7           HB2      GLU   7   2.031  10.372   3.737
   53    HB3  GLU   7           HB3      GLU   7   1.955  11.651   4.939
   54    HG2  GLU   7           HG2      GLU   7   1.921   9.959   6.784
   55    HG3  GLU   7           HG3      GLU   7   2.107   8.669   5.591
   56    H    PHE   8           H        PHE   8  -0.685  12.889   5.274
   57    HA   PHE   8           HA       PHE   8  -1.856  13.623   2.766
   58    HB2  PHE   8           HB2      PHE   8  -1.473  15.894   3.322
   59    HB3  PHE   8           HB3      PHE   8  -2.052  15.107   4.781
   60    HD1  PHE   8           HD1      PHE   8  -0.250  14.472   6.600
   61    HD2  PHE   8           HD2      PHE   8   0.656  16.936   3.177
   62    HE1  PHE   8           HE1      PHE   8   1.781  15.304   7.742
   63    HE2  PHE   8           HE2      PHE   8   2.707  17.756   4.316
   64    HZ   PHE   8           HZ       PHE   8   3.281  16.929   6.592
   65    H    ALA   9           H        ALA   9  -0.950  14.356   0.923
   66    HA   ALA   9           HA       ALA   9   2.033  14.717   0.886
   67    HB1  ALA   9           HB1      ALA   9   1.786  13.565  -1.356
   68    HB2  ALA   9           HB2      ALA   9   1.377  12.549   0.073
   69    HB3  ALA   9           HB3      ALA   9   0.071  13.264  -0.906
   70    H    LEU  10           H        LEU  10   2.613  16.641  -0.082
   71    HA   LEU  10           HA       LEU  10   0.607  18.601  -0.378
   72    HB2  LEU  10           HB2      LEU  10   2.350  20.028  -1.371
   73    HB3  LEU  10           HB3      LEU  10   2.584  19.445   0.277
   74    HG   LEU  10           HG       LEU  10   4.370  17.997  -0.380
   75   HD11  LEU  10          HD11      LEU  10   3.770  17.070  -2.474
   76   HD12  LEU  10          HD12      LEU  10   3.602  18.657  -3.232
   77   HD13  LEU  10          HD13      LEU  10   5.214  18.036  -2.800
   78   HD21  LEU  10          HD21      LEU  10   4.872  20.343   0.042
   79   HD22  LEU  10          HD22      LEU  10   5.946  19.734  -1.236
   80   HD23  LEU  10          HD23      LEU  10   4.552  20.768  -1.639
   81    H    GLY  11           H        GLY  11   1.364  16.250  -2.518
   82    HA2  GLY  11           HA2      GLY  11  -0.485  17.457  -4.418
   83    HA3  GLY  11           HA3      GLY  11   1.046  16.834  -5.095
   84    H    GLY  12           H        GLY  12  -0.825  15.396  -2.309
   85    HA2  GLY  12           HA2      GLY  12  -1.309  12.951  -3.905
   86    HA3  GLY  12           HA3      GLY  12  -1.620  13.215  -2.186
   87    H    ARG  13           H        ARG  13  -3.666  12.257  -3.113
   88    HA   ARG  13           HA       ARG  13  -5.584  14.415  -3.871
   89    HB2  ARG  13           HB2      ARG  13  -5.570  11.411  -4.321
   90    HB3  ARG  13           HB3      ARG  13  -7.090  12.253  -3.960
   91    HG2  ARG  13           HG2      ARG  13  -6.932  13.556  -5.961
   92    HG3  ARG  13           HG3      ARG  13  -5.305  12.919  -6.328
   93    HD2  ARG  13           HD2      ARG  13  -6.088  10.745  -6.731
   94    HD3  ARG  13           HD3      ARG  13  -7.520  10.956  -5.747
   95    HE   ARG  13           HE       ARG  13  -7.138  11.775  -8.566
   96   HH11  ARG  13          HH11      ARG  13  -9.303  11.746  -5.752
   97   HH12  ARG  13          HH12      ARG  13 -10.743  12.087  -6.671
   98   HH21  ARG  13          HH21      ARG  13  -9.065  12.238  -9.787
   99   HH22  ARG  13          HH22      ARG  13 -10.582  12.389  -8.968
  100    H    CYS  14           H        CYS  14  -7.390  14.219  -2.380
  101    HA   CYS  14           HA       CYS  14  -6.979  12.703   0.102
  102    HB2  CYS  14           HB2      CYS  14  -7.422  15.042   1.262
  103    HB3  CYS  14           HB3      CYS  14  -5.786  14.552   0.843
  104    HG   CYS  14           HG       CYS  14  -5.605  15.730  -1.386
  105    H    LEU  15           H        LEU  15  -8.820  13.475   1.609
  106    HA   LEU  15           HA       LEU  15 -11.400  13.754   0.165
  107    HB2  LEU  15           HB2      LEU  15 -10.541  11.467   2.004
  108    HB3  LEU  15           HB3      LEU  15 -12.191  11.782   1.514
  109    HG   LEU  15           HG       LEU  15  -9.853  11.054  -0.277
  110   HD11  LEU  15          HD11      LEU  15 -10.303   9.038   0.584
  111   HD12  LEU  15          HD12      LEU  15 -11.962   9.446   1.069
  112   HD13  LEU  15          HD13      LEU  15 -11.622   9.034  -0.594
  113   HD21  LEU  15          HD21      LEU  15 -12.725  11.414  -1.179
  114   HD22  LEU  15          HD22      LEU  15 -11.326  12.358  -1.654
  115   HD23  LEU  15          HD23      LEU  15 -11.417  10.685  -2.123
  116    H    ALA  16           H        ALA  16 -12.586  15.112   1.347
  117    HA   ALA  16           HA       ALA  16 -11.809  15.521   4.191
  118    HB1  ALA  16           HB1      ALA  16 -12.201  17.988   3.850
  119    HB2  ALA  16           HB2      ALA  16 -10.771  17.377   3.036
  120    HB3  ALA  16           HB3      ALA  16 -12.238  17.684   2.087
  121    H    PHE  17           H        PHE  17 -13.282  15.356   5.533
  122    HA   PHE  17           HA       PHE  17 -15.915  14.494   4.712
  123    HB2  PHE  17           HB2      PHE  17 -14.111  14.090   6.918
  124    HB3  PHE  17           HB3      PHE  17 -15.608  14.722   7.572
  125    HD1  PHE  17           HD1      PHE  17 -17.816  13.462   6.520
  126    HD2  PHE  17           HD2      PHE  17 -13.815  11.832   6.761
  127    HE1  PHE  17           HE1      PHE  17 -18.725  11.194   6.605
  128    HE2  PHE  17           HE2      PHE  17 -14.793   9.544   6.845
  129    HZ   PHE  17           HZ       PHE  17 -17.220   9.222   6.830
  130    H    HIS  18           H        HIS  18 -17.873  15.447   5.307
  131    HA   HIS  18           HA       HIS  18 -17.802  18.284   6.295
  132    HB2  HIS  18           HB2      HIS  18 -19.488  16.986   4.125
  133    HB3  HIS  18           HB3      HIS  18 -20.079  18.356   5.046
  134    HD2  HIS  18           HD2      HIS  18 -16.791  17.587   3.030
  135    HE1  HIS  18           HE1      HIS  18 -17.889  21.639   2.320
  136    HE2  HIS  18           HE2      HIS  18 -16.207  19.815   1.782
  137    H    GLY  19           H        GLY  19 -19.682  15.206   6.158
  138    HA2  GLY  19           HA2      GLY  19 -20.153  14.596   8.671
  139    HA3  GLY  19           HA3      GLY  19 -21.238  15.988   8.566
  140    HA   PRO  20           HA       PRO  20 -24.362  13.613   6.369
  141    HB2  PRO  20           HB2      PRO  20 -24.037  15.439   3.985
  142    HB3  PRO  20           HB3      PRO  20 -25.531  14.917   4.819
  143    HG2  PRO  20           HG2      PRO  20 -24.489  17.401   5.243
  144    HG3  PRO  20           HG3      PRO  20 -25.154  16.450   6.614
  145    HD2  PRO  20           HD2      PRO  20 -22.268  16.810   5.799
  146    HD3  PRO  20           HD3      PRO  20 -22.998  16.852   7.434
  147    H    LEU  21           H        LEU  21 -21.599  14.717   4.336
  148    HA   LEU  21           HA       LEU  21 -20.929  11.982   3.742
  149    HB2  LEU  21           HB2      LEU  21 -22.407  13.460   1.827
  150    HB3  LEU  21           HB3      LEU  21 -20.772  13.653   1.274
  151    HG   LEU  21           HG       LEU  21 -21.118  10.901   2.048
  152   HD11  LEU  21          HD11      LEU  21 -23.476  11.293   1.917
  153   HD12  LEU  21          HD12      LEU  21 -23.304  11.834   0.223
  154   HD13  LEU  21          HD13      LEU  21 -22.934  10.142   0.689
  155   HD21  LEU  21          HD21      LEU  21 -20.697  12.195  -0.644
  156   HD22  LEU  21          HD22      LEU  21 -19.493  11.348   0.374
  157   HD23  LEU  21          HD23      LEU  21 -20.765  10.423  -0.400
  158    H    MET  22           H        MET  22 -18.928  12.353   1.944
  159    HA   MET  22           HA       MET  22 -17.091  14.415   3.013
  160    HB2  MET  22           HB2      MET  22 -16.334  12.281   3.879
  161    HB3  MET  22           HB3      MET  22 -16.664  11.467   2.351
  162    HG2  MET  22           HG2      MET  22 -14.585  13.622   2.583
  163    HG3  MET  22           HG3      MET  22 -14.268  11.944   2.920
  164    HE1  MET  22           HE1      MET  22 -14.344  10.157  -0.401
  165    HE2  MET  22           HE2      MET  22 -14.135  10.050   1.348
  166    HE3  MET  22           HE3      MET  22 -15.781  10.273   0.677
  167    H    TYR  23           H        TYR  23 -15.562  15.059   1.251
  168    HA   TYR  23           HA       TYR  23 -16.498  14.427  -1.447
  169    HB2  TYR  23           HB2      TYR  23 -16.365  17.291  -0.458
  170    HB3  TYR  23           HB3      TYR  23 -16.611  16.774  -2.130
  171    HD1  TYR  23           HD1      TYR  23 -18.613  14.834  -2.280
  172    HD2  TYR  23           HD2      TYR  23 -18.338  18.010   0.628
  173    HE1  TYR  23           HE1      TYR  23 -20.988  14.481  -1.671
  174    HE2  TYR  23           HE2      TYR  23 -20.726  17.718   1.183
  175    HH   TYR  23           HH       TYR  23 -22.701  15.080  -0.301
  176    H    GLU  24           H        GLU  24 -14.938  14.851  -3.028
  177    HA   GLU  24           HA       GLU  24 -12.378  14.048  -2.019
  178    HB2  GLU  24           HB2      GLU  24 -13.615  14.612  -4.733
  179    HB3  GLU  24           HB3      GLU  24 -11.842  14.524  -4.625
  180    HG2  GLU  24           HG2      GLU  24 -11.819  12.312  -3.977
  181    HG3  GLU  24           HG3      GLU  24 -13.506  12.318  -3.427
  182    H    ALA  25           H        ALA  25 -10.366  15.056  -2.259
  183    HA   ALA  25           HA       ALA  25 -10.435  17.990  -2.377
  184    HB1  ALA  25           HB1      ALA  25  -9.356  16.253  -0.095
  185    HB2  ALA  25           HB2      ALA  25  -8.969  17.951  -0.290
  186    HB3  ALA  25           HB3      ALA  25 -10.634  17.451  -0.014
  187    H    LYS  26           H        LYS  26  -8.192  18.805  -2.859
  188    HA   LYS  26           HA       LYS  26  -6.248  16.779  -3.842
  189    HB2  LYS  26           HB2      LYS  26  -7.788  17.553  -5.750
  190    HB3  LYS  26           HB3      LYS  26  -7.163  19.169  -5.487
  191    HG2  LYS  26           HG2      LYS  26  -4.791  17.982  -5.765
  192    HG3  LYS  26           HG3      LYS  26  -5.762  16.689  -6.486
  193    HD2  LYS  26           HD2      LYS  26  -4.985  18.083  -8.276
  194    HD3  LYS  26           HD3      LYS  26  -6.713  18.433  -8.087
  195    HE2  LYS  26           HE2      LYS  26  -6.111  20.468  -6.733
  196    HE3  LYS  26           HE3      LYS  26  -4.403  20.092  -6.962
  197    HZ1  LYS  26           HZ1      LYS  26  -6.316  20.776  -9.126
  198    HZ2  LYS  26           HZ2      LYS  26  -5.117  21.731  -8.572
  199    HZ3  LYS  26           HZ3      LYS  26  -4.741  20.367  -9.359
  200    H    ILE  27           H        ILE  27  -4.698  17.320  -2.314
  201    HA   ILE  27           HA       ILE  27  -4.498  19.890  -1.068
  202    HB   ILE  27           HB       ILE  27  -2.606  17.514  -1.203
  203   HG12  ILE  27          HG12      ILE  27  -3.586  18.203   1.485
  204   HG13  ILE  27          HG13      ILE  27  -4.900  17.883   0.445
  205   HG21  ILE  27          HG21      ILE  27  -1.267  19.529  -0.695
  206   HG22  ILE  27          HG22      ILE  27  -2.434  20.043   0.527
  207   HG23  ILE  27          HG23      ILE  27  -1.446  18.578   0.784
  208   HD11  ILE  27          HD11      ILE  27  -3.842  15.587  -0.019
  209   HD12  ILE  27          HD12      ILE  27  -2.523  16.030   1.061
  210   HD13  ILE  27          HD13      ILE  27  -4.191  15.941   1.728
  211    H    LEU  28           H        LEU  28  -3.278  21.667  -1.621
  212    HA   LEU  28           HA       LEU  28  -0.989  21.348  -3.502
  213    HB2  LEU  28           HB2      LEU  28  -2.905  22.164  -4.699
  214    HB3  LEU  28           HB3      LEU  28  -3.356  23.275  -3.425
  215    HG   LEU  28           HG       LEU  28  -0.846  23.666  -5.114
  216   HD11  LEU  28          HD11      LEU  28  -3.737  24.585  -5.417
  217   HD12  LEU  28          HD12      LEU  28  -2.387  25.233  -6.395
  218   HD13  LEU  28          HD13      LEU  28  -2.846  23.524  -6.522
  219   HD21  LEU  28          HD21      LEU  28  -2.535  25.612  -3.418
  220   HD22  LEU  28          HD22      LEU  28  -0.883  25.083  -3.060
  221   HD23  LEU  28          HD23      LEU  28  -1.189  26.067  -4.471
  222    H    LYS  29           H        LYS  29  -2.525  23.516  -1.048
  223    HA   LYS  29           HA       LYS  29   0.235  24.471  -0.498
  224    HB2  LYS  29           HB2      LYS  29  -2.055  25.872  -1.136
  225    HB3  LYS  29           HB3      LYS  29  -2.018  26.027   0.622
  226    HG2  LYS  29           HG2      LYS  29  -0.122  27.325   0.590
  227    HG3  LYS  29           HG3      LYS  29   0.508  26.544  -0.848
  228    HD2  LYS  29           HD2      LYS  29  -0.063  28.819  -1.402
  229    HD3  LYS  29           HD3      LYS  29  -1.120  27.699  -2.273
  230    HE2  LYS  29           HE2      LYS  29  -2.865  28.046  -0.435
  231    HE3  LYS  29           HE3      LYS  29  -1.753  29.273   0.238
  232    HZ1  LYS  29           HZ1      LYS  29  -1.957  30.469  -1.876
  233    HZ2  LYS  29           HZ2      LYS  29  -3.104  29.391  -2.386
  234    HZ3  LYS  29           HZ3      LYS  29  -3.378  30.336  -1.081
  235    H    ILE  30           H        ILE  30   1.187  23.784   1.361
  236    HA   ILE  30           HA       ILE  30  -0.629  22.551   3.367
  237    HB   ILE  30           HB       ILE  30   0.851  20.895   3.891
  238   HG12  ILE  30          HG12      ILE  30   3.081  21.675   3.699
  239   HG13  ILE  30          HG13      ILE  30   2.897  20.311   2.593
  240   HG21  ILE  30          HG21      ILE  30  -0.659  20.840   1.809
  241   HG22  ILE  30          HG22      ILE  30   0.750  20.911   0.828
  242   HG23  ILE  30          HG23      ILE  30   0.564  19.550   1.949
  243   HD11  ILE  30          HD11      ILE  30   4.124  22.084   1.473
  244   HD12  ILE  30          HD12      ILE  30   2.504  21.992   0.718
  245   HD13  ILE  30          HD13      ILE  30   2.849  23.244   1.928
  246    H    TRP  31           H        TRP  31  -0.993  23.942   4.567
  247    HA   TRP  31           HA       TRP  31   0.900  25.880   5.807
  248    HB2  TRP  31           HB2      TRP  31  -1.183  26.866   5.551
  249    HB3  TRP  31           HB3      TRP  31  -2.046  25.409   5.947
  250    HD1  TRP  31           HD1      TRP  31  -1.952  24.755   8.744
  251    HE1  TRP  31           HE1      TRP  31  -2.352  26.345  10.714
  252    HE3  TRP  31           HE3      TRP  31  -0.804  29.200   6.457
  253    HZ2  TRP  31           HZ2      TRP  31  -2.179  29.118  11.234
  254    HZ3  TRP  31           HZ3      TRP  31  -0.988  31.322   7.742
  255    HH2  TRP  31           HH2      TRP  31  -1.713  31.291  10.121
  256    H    ASP  32           H        ASP  32   1.366  25.981   8.052
  257    HA   ASP  32           HA       ASP  32   1.177  23.548   9.592
  258    HB2  ASP  32           HB2      ASP  32   3.148  23.247   8.047
  259    HB3  ASP  32           HB3      ASP  32   3.860  24.710   8.742
  260    HA   PRO  33           HA       PRO  33   0.845  27.177  12.224
  261    HB2  PRO  33           HB2      PRO  33   0.836  25.874  14.720
  262    HB3  PRO  33           HB3      PRO  33  -0.561  26.140  13.650
  263    HG2  PRO  33           HG2      PRO  33   1.272  23.734  13.831
  264    HG3  PRO  33           HG3      PRO  33  -0.527  23.744  13.732
  265    HD2  PRO  33           HD2      PRO  33   0.995  23.195  11.625
  266    HD3  PRO  33           HD3      PRO  33  -0.457  24.230  11.441
  267    H    SER  34           H        SER  34   3.681  25.208  12.161
  268    HA   SER  34           HA       SER  34   5.055  26.177  14.455
  269    HB2  SER  34           HB2      SER  34   6.290  25.304  11.814
  270    HB3  SER  34           HB3      SER  34   7.080  25.362  13.397
  271    HG   SER  34           HG       SER  34   5.018  23.678  12.459
  272    H    SER  35           H        SER  35   4.548  27.658  11.292
  273    HA   SER  35           HA       SER  35   5.832  30.147  12.311
  274    HB2  SER  35           HB2      SER  35   6.301  30.624   9.876
  275    HB3  SER  35           HB3      SER  35   7.219  29.277  10.573
  276    HG   SER  35           HG       SER  35   6.382  28.644   8.572
  277    H    LYS  36           H        LYS  36   2.918  28.660  11.524
  278    HA   LYS  36           HA       LYS  36   0.924  29.240  10.726
  279    HB2  LYS  36           HB2      LYS  36   1.604  31.629  12.447
  280    HB3  LYS  36           HB3      LYS  36   0.112  31.648  11.530
  281    HG2  LYS  36           HG2      LYS  36  -0.935  30.044  12.723
  282    HG3  LYS  36           HG3      LYS  36   0.519  29.117  13.036
  283    HD2  LYS  36           HD2      LYS  36  -0.132  31.748  14.420
  284    HD3  LYS  36           HD3      LYS  36  -0.500  30.138  15.081
  285    HE2  LYS  36           HE2      LYS  36   1.914  29.540  14.954
  286    HE3  LYS  36           HE3      LYS  36   2.290  31.145  14.337
  287    HZ1  LYS  36           HZ1      LYS  36   2.671  31.005  16.710
  288    HZ2  LYS  36           HZ2      LYS  36   1.472  32.070  16.432
  289    HZ3  LYS  36           HZ3      LYS  36   1.129  30.569  17.001
  290    H    MET  37           H        MET  37   2.634  29.210   8.783
  291    HA   MET  37           HA       MET  37   1.462  31.105   6.918
  292    HB2  MET  37           HB2      MET  37   4.456  30.633   7.156
  293    HB3  MET  37           HB3      MET  37   3.666  31.437   5.794
  294    HG2  MET  37           HG2      MET  37   2.716  33.125   7.449
  295    HG3  MET  37           HG3      MET  37   3.756  32.406   8.664
  296    HE1  MET  37           HE1      MET  37   7.216  33.110   6.524
  297    HE2  MET  37           HE2      MET  37   6.455  31.910   7.647
  298    HE3  MET  37           HE3      MET  37   5.992  31.981   5.949
  299    H    TYR  38           H        TYR  38   2.487  30.136   4.642
  300    HA   TYR  38           HA       TYR  38   1.692  27.276   4.720
  301    HB2  TYR  38           HB2      TYR  38   0.520  27.695   2.666
  302    HB3  TYR  38           HB3      TYR  38  -0.048  28.734   3.963
  303    HD1  TYR  38           HD1      TYR  38   1.851  28.694   0.761
  304    HD2  TYR  38           HD2      TYR  38   0.447  31.089   4.047
  305    HE1  TYR  38           HE1      TYR  38   2.226  30.729  -0.587
  306    HE2  TYR  38           HE2      TYR  38   1.037  33.143   2.767
  307    HH   TYR  38           HH       TYR  38   1.710  34.033   0.884
  308    H    THR  39           H        THR  39   2.138  26.577   2.108
  309    HA   THR  39           HA       THR  39   4.735  27.089   1.185
  310    HB   THR  39           HB       THR  39   4.981  24.312   1.913
  311    HG1  THR  39           HG1      THR  39   3.736  24.719   3.807
  312   HG21  THR  39          HG21      THR  39   6.463  26.842   2.683
  313   HG22  THR  39          HG22      THR  39   7.052  25.190   3.057
  314   HG23  THR  39          HG23      THR  39   6.822  25.688   1.374
  315    H    SER  40           H        SER  40   5.025  25.711  -0.789
  316    HA   SER  40           HA       SER  40   2.717  24.048  -1.609
  317    HB2  SER  40           HB2      SER  40   2.267  26.707  -1.808
  318    HB3  SER  40           HB3      SER  40   3.238  26.456  -3.254
  319    HG   SER  40           HG       SER  40   1.030  26.188  -3.669
  320    H    ILE  41           H        ILE  41   2.901  23.610  -3.944
  321    HA   ILE  41           HA       ILE  41   5.359  24.105  -5.339
  322    HB   ILE  41           HB       ILE  41   5.696  21.731  -6.038
  323   HG12  ILE  41          HG12      ILE  41   5.024  19.903  -4.559
  324   HG13  ILE  41          HG13      ILE  41   3.864  20.966  -3.751
  325   HG21  ILE  41          HG21      ILE  41   7.106  22.830  -4.306
  326   HG22  ILE  41          HG22      ILE  41   6.103  22.074  -3.052
  327   HG23  ILE  41          HG23      ILE  41   7.035  21.070  -4.174
  328   HD11  ILE  41          HD11      ILE  41   3.762  20.404  -6.732
  329   HD12  ILE  41          HD12      ILE  41   2.976  19.367  -5.524
  330   HD13  ILE  41          HD13      ILE  41   2.490  21.056  -5.665
  331    HA   PRO  42           HA       PRO  42   2.232  24.348  -8.506
  332    HB2  PRO  42           HB2      PRO  42   3.585  23.785 -10.832
  333    HB3  PRO  42           HB3      PRO  42   3.865  25.261  -9.861
  334    HG2  PRO  42           HG2      PRO  42   5.451  22.685  -9.675
  335    HG3  PRO  42           HG3      PRO  42   6.051  24.358  -9.950
  336    HD2  PRO  42           HD2      PRO  42   6.038  23.434  -7.443
  337    HD3  PRO  42           HD3      PRO  42   5.315  25.048  -7.741
  338    H    ASN  43           H        ASN  43   1.160  22.521  -7.333
  339    HA   ASN  43           HA       ASN  43   1.126  19.893  -8.624
  340    HB2  ASN  43           HB2      ASN  43   0.501  20.110  -6.219
  341    HB3  ASN  43           HB3      ASN  43  -0.882  21.102  -6.685
  342   HD21  ASN  43          HD21      ASN  43  -2.035  19.200  -5.447
  343   HD22  ASN  43          HD22      ASN  43  -2.452  17.826  -6.442
  344    H    ASP  44           H        ASP  44   1.084  21.054 -10.693
  345    HA   ASP  44           HA       ASP  44   0.269  21.762 -12.619
  346    HB2  ASP  44           HB2      ASP  44  -1.061  19.773 -12.694
  347    HB3  ASP  44           HB3      ASP  44  -2.351  20.526 -11.743
  348    H    LYS  45           H        LYS  45  -2.646  22.477 -10.631
  349    HA   LYS  45           HA       LYS  45  -2.302  25.345 -10.782
  350    HB2  LYS  45           HB2      LYS  45  -4.500  23.949 -12.400
  351    HB3  LYS  45           HB3      LYS  45  -4.513  25.663 -12.005
  352    HG2  LYS  45           HG2      LYS  45  -2.310  25.906 -13.228
  353    HG3  LYS  45           HG3      LYS  45  -2.507  24.249 -13.801
  354    HD2  LYS  45           HD2      LYS  45  -4.378  26.586 -14.332
  355    HD3  LYS  45           HD3      LYS  45  -3.261  25.872 -15.479
  356    HE2  LYS  45           HE2      LYS  45  -5.683  24.484 -14.252
  357    HE3  LYS  45           HE3      LYS  45  -5.589  25.158 -15.882
  358    HZ1  LYS  45           HZ1      LYS  45  -3.818  23.537 -16.346
  359    HZ2  LYS  45           HZ2      LYS  45  -4.024  22.852 -14.860
  360    HZ3  LYS  45           HZ3      LYS  45  -5.231  22.810 -15.961
  361    HA   PRO  46           HA       PRO  46  -5.148  24.790  -7.312
  362    HB2  PRO  46           HB2      PRO  46  -6.785  27.030  -7.503
  363    HB3  PRO  46           HB3      PRO  46  -5.156  26.993  -6.753
  364    HG2  PRO  46           HG2      PRO  46  -5.888  27.881  -9.570
  365    HG3  PRO  46           HG3      PRO  46  -4.768  28.647  -8.402
  366    HD2  PRO  46           HD2      PRO  46  -3.873  27.073 -10.405
  367    HD3  PRO  46           HD3      PRO  46  -3.095  27.031  -8.802
  368    H    GLY  47           H        GLY  47  -7.182  26.387  -9.748
  369    HA2  GLY  47           HA2      GLY  47  -8.594  24.039 -10.664
  370    HA3  GLY  47           HA3      GLY  47  -9.444  24.927  -9.377
  371    H    GLY  48           H        GLY  48  -7.369  26.836 -11.473
  372    HA2  GLY  48           HA2      GLY  48  -9.309  27.667 -13.384
  373    HA3  GLY  48           HA3      GLY  48  -9.192  28.799 -12.012
  374    H    SER  49           H        SER  49  -8.371  30.079 -13.909
  375    HA   SER  49           HA       SER  49  -5.823  29.432 -15.066
  376    HB2  SER  49           HB2      SER  49  -7.406  31.991 -15.309
  377    HB3  SER  49           HB3      SER  49  -6.152  31.364 -16.405
  378    HG   SER  49           HG       SER  49  -8.320  30.961 -17.177
  379    H    SER  50           H        SER  50  -4.920  29.352 -12.914
  380    HA   SER  50           HA       SER  50  -3.001  31.460 -12.554
  381    HB2  SER  50           HB2      SER  50  -4.543  30.381 -10.144
  382    HB3  SER  50           HB3      SER  50  -3.242  31.580 -10.127
  383    HG   SER  50           HG       SER  50  -4.698  32.953 -11.370
  384    H    GLN  51           H        GLN  51  -1.499  30.264 -10.667
  385    HA   GLN  51           HA       GLN  51  -1.670  27.431 -10.636
  386    HB2  GLN  51           HB2      GLN  51   0.203  26.752 -11.785
  387    HB3  GLN  51           HB3      GLN  51  -0.370  28.041 -12.843
  388    HG2  GLN  51           HG2      GLN  51   1.228  29.563 -11.481
  389    HG3  GLN  51           HG3      GLN  51   1.925  28.045 -10.873
  390   HE21  GLN  51          HE21      GLN  51   3.397  29.994 -12.241
  391   HE22  GLN  51          HE22      GLN  51   3.925  29.340 -13.796
  392    H    ALA  52           H        ALA  52   0.348  26.731  -9.383
  393    HA   ALA  52           HA       ALA  52   0.751  28.498  -7.001
  394    HB1  ALA  52           HB1      ALA  52  -0.454  26.460  -6.607
  395    HB2  ALA  52           HB2      ALA  52   0.784  25.520  -7.478
  396    HB3  ALA  52           HB3      ALA  52   1.197  26.300  -5.926
  397    H    THR  53           H        THR  53   2.177  29.348  -8.746
  398    HA   THR  53           HA       THR  53   4.241  28.288 -10.025
  399    HB   THR  53           HB       THR  53   4.464  31.030  -8.748
  400    HG1  THR  53           HG1      THR  53   3.116  31.713 -10.276
  401   HG21  THR  53          HG21      THR  53   5.611  31.550 -10.936
  402   HG22  THR  53          HG22      THR  53   6.507  30.396  -9.942
  403   HG23  THR  53          HG23      THR  53   5.577  29.809 -11.323
  404    H    LYS  54           H        LYS  54   5.748  26.982  -9.547
  405    HA   LYS  54           HA       LYS  54   7.408  25.835  -8.632
  406    HB2  LYS  54           HB2      LYS  54   8.428  28.677  -8.233
  407    HB3  LYS  54           HB3      LYS  54   9.432  27.254  -8.001
  408    HG2  LYS  54           HG2      LYS  54   8.801  26.526 -10.373
  409    HG3  LYS  54           HG3      LYS  54   8.092  28.132 -10.558
  410    HD2  LYS  54           HD2      LYS  54  10.173  28.445 -11.457
  411    HD3  LYS  54           HD3      LYS  54  10.448  29.036  -9.828
  412    HE2  LYS  54           HE2      LYS  54  11.103  26.189 -10.771
  413    HE3  LYS  54           HE3      LYS  54  12.231  27.534 -10.907
  414    HZ1  LYS  54           HZ1      LYS  54  11.266  26.319  -8.375
  415    HZ2  LYS  54           HZ2      LYS  54  12.770  26.368  -8.966
  416    HZ3  LYS  54           HZ3      LYS  54  12.093  27.750  -8.449
  417    H    GLU  55           H        GLU  55   9.174  26.006  -6.576
  418    HA   GLU  55           HA       GLU  55   7.683  25.093  -4.321
  419    HB2  GLU  55           HB2      GLU  55  10.603  25.990  -4.507
  420    HB3  GLU  55           HB3      GLU  55   9.855  25.053  -3.221
  421    HG2  GLU  55           HG2      GLU  55  10.985  23.459  -4.461
  422    HG3  GLU  55           HG3      GLU  55   9.311  23.273  -4.963
  423    H    ILE  56           H        ILE  56   6.355  26.519  -3.290
  424    HA   ILE  56           HA       ILE  56   7.078  29.370  -3.189
  425    HB   ILE  56           HB       ILE  56   4.643  28.089  -1.909
  426   HG12  ILE  56          HG12      ILE  56   4.920  29.262  -4.721
  427   HG13  ILE  56          HG13      ILE  56   4.625  27.569  -4.329
  428   HG21  ILE  56          HG21      ILE  56   5.341  30.947  -2.766
  429   HG22  ILE  56          HG22      ILE  56   3.764  30.458  -2.141
  430   HG23  ILE  56          HG23      ILE  56   5.169  30.344  -1.101
  431   HD11  ILE  56          HD11      ILE  56   2.493  28.549  -3.040
  432   HD12  ILE  56          HD12      ILE  56   2.735  29.875  -4.189
  433   HD13  ILE  56          HD13      ILE  56   2.522  28.216  -4.815
  434    H    LYS  57           H        LYS  57   7.993  30.313  -1.487
  435    HA   LYS  57           HA       LYS  57   9.011  28.692   0.754
  436    HB2  LYS  57           HB2      LYS  57   9.269  31.657   0.041
  437    HB3  LYS  57           HB3      LYS  57  10.074  30.868   1.399
  438    HG2  LYS  57           HG2      LYS  57  11.322  29.399  -0.149
  439    HG3  LYS  57           HG3      LYS  57  10.502  30.155  -1.536
  440    HD2  LYS  57           HD2      LYS  57  11.435  32.370  -0.830
  441    HD3  LYS  57           HD3      LYS  57  12.395  31.554   0.410
  442    HE2  LYS  57           HE2      LYS  57  12.477  30.956  -2.586
  443    HE3  LYS  57           HE3      LYS  57  13.590  32.059  -1.770
  444    HZ1  LYS  57           HZ1      LYS  57  13.353  29.161  -1.202
  445    HZ2  LYS  57           HZ2      LYS  57  14.565  29.878  -2.027
  446    HZ3  LYS  57           HZ3      LYS  57  14.373  30.190  -0.438
  447    HA   PRO  58           HA       PRO  58   5.655  30.037   3.399
  448    HB2  PRO  58           HB2      PRO  58   7.796  30.610   5.445
  449    HB3  PRO  58           HB3      PRO  58   6.262  29.686   5.651
  450    HG2  PRO  58           HG2      PRO  58   8.646  28.416   5.469
  451    HG3  PRO  58           HG3      PRO  58   7.217  27.777   4.595
  452    HD2  PRO  58           HD2      PRO  58   9.423  29.574   3.545
  453    HD3  PRO  58           HD3      PRO  58   8.742  28.074   2.809
  454    H    GLN  59           H        GLN  59   4.684  31.904   3.355
  455    HA   GLN  59           HA       GLN  59   6.112  34.422   3.866
  456    HB2  GLN  59           HB2      GLN  59   6.259  34.019   1.398
  457    HB3  GLN  59           HB3      GLN  59   4.512  33.846   1.320
  458    HG2  GLN  59           HG2      GLN  59   5.265  36.025   0.502
  459    HG3  GLN  59           HG3      GLN  59   4.199  36.208   1.883
  460   HE21  GLN  59          HE21      GLN  59   7.465  36.759   0.663
  461   HE22  GLN  59          HE22      GLN  59   8.071  37.580   2.083
  462    H    LYS  60           H        LYS  60   4.628  36.080   4.466
  463    HA   LYS  60           HA       LYS  60   2.327  35.421   5.910
  464    HB2  LYS  60           HB2      LYS  60   3.653  37.716   5.654
  465    HB3  LYS  60           HB3      LYS  60   2.428  38.052   4.421
  466    HG2  LYS  60           HG2      LYS  60   0.699  37.404   6.312
  467    HG3  LYS  60           HG3      LYS  60   2.078  37.513   7.395
  468    HD2  LYS  60           HD2      LYS  60   1.022  39.631   7.529
  469    HD3  LYS  60           HD3      LYS  60   2.437  39.891   6.516
  470    HE2  LYS  60           HE2      LYS  60   0.651  41.072   5.477
  471    HE3  LYS  60           HE3      LYS  60   0.943  39.652   4.470
  472    HZ1  LYS  60           HZ1      LYS  60  -1.234  39.902   6.479
  473    HZ2  LYS  60           HZ2      LYS  60  -1.415  40.048   4.867
  474    HZ3  LYS  60           HZ3      LYS  60  -1.014  38.604   5.501
  475    H    LEU  61           H        LEU  61   0.112  35.667   5.498
  476    HA   LEU  61           HA       LEU  61  -0.911  35.357   2.741
  477    HB2  LEU  61           HB2      LEU  61  -1.124  33.211   3.055
  478    HB3  LEU  61           HB3      LEU  61  -0.425  33.272   4.664
  479    HG   LEU  61           HG       LEU  61  -3.377  33.294   3.948
  480   HD11  LEU  61          HD11      LEU  61  -1.683  31.178   5.275
  481   HD12  LEU  61          HD12      LEU  61  -3.361  31.107   4.675
  482   HD13  LEU  61          HD13      LEU  61  -2.033  31.252   3.534
  483   HD21  LEU  61          HD21      LEU  61  -2.087  33.141   6.718
  484   HD22  LEU  61          HD22      LEU  61  -3.085  34.486   6.158
  485   HD23  LEU  61          HD23      LEU  61  -3.809  32.903   6.335
  486    H    GLY  62           H        GLY  62  -3.466  34.926   3.234
  487    HA2  GLY  62           HA2      GLY  62  -5.331  35.497   4.521
  488    HA3  GLY  62           HA3      GLY  62  -4.429  36.743   5.364
  489    H    GLU  63           H        GLU  63  -4.374  36.832   1.812
  490    HA   GLU  63           HA       GLU  63  -5.645  39.397   1.812
  491    HB2  GLU  63           HB2      GLU  63  -5.579  39.291  -0.598
  492    HB3  GLU  63           HB3      GLU  63  -4.048  38.771   0.110
  493    HG2  GLU  63           HG2      GLU  63  -4.688  36.385  -0.311
  494    HG3  GLU  63           HG3      GLU  63  -6.178  36.940  -1.078
  495    H    ASP  64           H        ASP  64  -6.886  36.124   1.113
  496    HA   ASP  64           HA       ASP  64  -9.524  36.731   2.084
  497    HB2  ASP  64           HB2      ASP  64  -9.694  37.755  -0.212
  498    HB3  ASP  64           HB3      ASP  64  -9.268  36.198  -0.916
  499    H    GLU  65           H        GLU  65  -7.462  34.947   2.807
  500    HA   GLU  65           HA       GLU  65  -8.475  32.226   2.087
  501    HB2  GLU  65           HB2      GLU  65  -6.734  33.147   0.444
  502    HB3  GLU  65           HB3      GLU  65  -5.585  33.144   1.779
  503    HG2  GLU  65           HG2      GLU  65  -5.917  30.677   2.008
  504    HG3  GLU  65           HG3      GLU  65  -7.102  30.716   0.715
  505    H    SER  66           H        SER  66  -8.519  33.991   4.543
  506    HA   SER  66           HA       SER  66  -6.438  33.143   6.334
  507    HB2  SER  66           HB2      SER  66  -9.238  34.054   7.048
  508    HB3  SER  66           HB3      SER  66  -7.802  34.011   8.084
  509    HG   SER  66           HG       SER  66  -8.225  36.130   7.196
  510    H    ILE  67           H        ILE  67  -6.193  31.251   7.263
  511    HA   ILE  67           HA       ILE  67  -8.118  29.085   7.209
  512    HB   ILE  67           HB       ILE  67  -6.310  28.502   9.143
  513   HG12  ILE  67          HG12      ILE  67  -4.829  30.514   8.658
  514   HG13  ILE  67          HG13      ILE  67  -4.088  28.957   8.625
  515   HG21  ILE  67          HG21      ILE  67  -5.095  27.144   7.726
  516   HG22  ILE  67          HG22      ILE  67  -6.841  26.971   7.555
  517   HG23  ILE  67          HG23      ILE  67  -5.944  27.907   6.306
  518   HD11  ILE  67          HD11      ILE  67  -3.828  28.923   6.321
  519   HD12  ILE  67          HD12      ILE  67  -4.977  30.257   6.063
  520   HD13  ILE  67          HD13      ILE  67  -3.431  30.573   6.859
  521    HA   PRO  68           HA       PRO  68 -10.160  30.723  10.981
  522    HB2  PRO  68           HB2      PRO  68 -11.251  27.905  11.020
  523    HB3  PRO  68           HB3      PRO  68 -12.121  29.444  11.300
  524    HG2  PRO  68           HG2      PRO  68 -12.347  28.155   8.927
  525    HG3  PRO  68           HG3      PRO  68 -12.126  29.935   8.953
  526    HD2  PRO  68           HD2      PRO  68 -10.041  27.795   8.481
  527    HD3  PRO  68           HD3      PRO  68 -10.326  29.310   7.577
  528    H    GLU  69           H        GLU  69  -9.654  30.466  13.218
  529    HA   GLU  69           HA       GLU  69  -7.318  29.175  13.980
  530    HB2  GLU  69           HB2      GLU  69  -9.630  29.973  15.757
  531    HB3  GLU  69           HB3      GLU  69  -7.986  29.568  16.283
  532    HG2  GLU  69           HG2      GLU  69  -7.085  31.451  14.915
  533    HG3  GLU  69           HG3      GLU  69  -8.733  31.901  14.466
  534    H    GLU  70           H        GLU  70 -10.529  27.882  13.734
  535    HA   GLU  70           HA       GLU  70 -10.542  25.612  15.352
  536    HB2  GLU  70           HB2      GLU  70 -12.416  26.660  14.021
  537    HB3  GLU  70           HB3      GLU  70 -11.725  25.945  12.556
  538    HG2  GLU  70           HG2      GLU  70 -12.095  23.689  13.455
  539    HG3  GLU  70           HG3      GLU  70 -12.624  24.355  15.001
  540    H    ILE  71           H        ILE  71  -9.014  26.076  12.143
  541    HA   ILE  71           HA       ILE  71  -8.184  23.210  12.153
  542    HB   ILE  71           HB       ILE  71  -7.806  23.501   9.740
  543   HG12  ILE  71          HG12      ILE  71  -9.206  26.192   9.988
  544   HG13  ILE  71          HG13      ILE  71  -7.507  25.967   9.569
  545   HG21  ILE  71          HG21      ILE  71 -10.116  23.303   9.142
  546   HG22  ILE  71          HG22      ILE  71  -9.943  22.627  10.769
  547   HG23  ILE  71          HG23      ILE  71 -10.630  24.258  10.541
  548   HD11  ILE  71          HD11      ILE  71  -8.819  26.350   7.511
  549   HD12  ILE  71          HD12      ILE  71  -8.238  24.680   7.520
  550   HD13  ILE  71          HD13      ILE  71  -9.928  25.075   7.926
  551    H    ILE  72           H        ILE  72  -6.953  26.479  12.280
  552    HA   ILE  72           HA       ILE  72  -4.515  26.394  11.157
  553    HB   ILE  72           HB       ILE  72  -5.990  27.872  13.239
  554   HG12  ILE  72          HG12      ILE  72  -4.436  28.335  10.732
  555   HG13  ILE  72          HG13      ILE  72  -6.171  28.418  11.115
  556   HG21  ILE  72          HG21      ILE  72  -3.036  28.373  13.364
  557   HG22  ILE  72          HG22      ILE  72  -4.367  29.321  14.094
  558   HG23  ILE  72          HG23      ILE  72  -4.091  27.693  14.654
  559   HD11  ILE  72          HD11      ILE  72  -5.758  30.415  12.388
  560   HD12  ILE  72          HD12      ILE  72  -4.021  30.302  11.913
  561   HD13  ILE  72          HD13      ILE  72  -5.262  30.510  10.655
  562    H    ASN  73           H        ASN  73  -5.297  25.228  14.270
  563    HA   ASN  73           HA       ASN  73  -2.726  25.009  15.461
  564    HB2  ASN  73           HB2      ASN  73  -4.022  23.749  17.139
  565    HB3  ASN  73           HB3      ASN  73  -4.814  25.264  16.668
  566   HD21  ASN  73          HD21      ASN  73  -6.924  25.190  15.712
  567   HD22  ASN  73          HD22      ASN  73  -7.718  23.699  15.306
  568    H    GLY  74           H        GLY  74  -3.782  23.382  12.898
  569    HA2  GLY  74           HA2      GLY  74  -1.877  21.151  13.282
  570    HA3  GLY  74           HA3      GLY  74  -3.519  20.704  12.782
  571    H    LYS  75           H        LYS  75  -1.781  20.053  11.254
  572    HA   LYS  75           HA       LYS  75  -0.890  21.696   9.126
  573    HB2  LYS  75           HB2      LYS  75  -1.604  18.775   9.528
  574    HB3  LYS  75           HB3      LYS  75  -1.479  19.380   7.888
  575    HG2  LYS  75           HG2      LYS  75   0.702  19.575   9.968
  576    HG3  LYS  75           HG3      LYS  75   0.627  18.393   8.609
  577    HD2  LYS  75           HD2      LYS  75   0.309  20.638   7.181
  578    HD3  LYS  75           HD3      LYS  75   1.209  21.342   8.538
  579    HE2  LYS  75           HE2      LYS  75   2.087  19.109   6.684
  580    HE3  LYS  75           HE3      LYS  75   2.615  20.794   6.659
  581    HZ1  LYS  75           HZ1      LYS  75   3.577  20.460   8.883
  582    HZ2  LYS  75           HZ2      LYS  75   3.132  18.882   8.871
  583    HZ3  LYS  75           HZ3      LYS  75   4.243  19.430   7.806
  584    H    CYS  76           H        CYS  76  -1.918  22.559   7.393
  585    HA   CYS  76           HA       CYS  76  -4.842  22.039   7.133
  586    HB2  CYS  76           HB2      CYS  76  -3.544  24.786   7.126
  587    HB3  CYS  76           HB3      CYS  76  -5.156  24.451   6.525
  588    HG   CYS  76           HG       CYS  76  -3.996  23.759   9.571
  589    H    PHE  77           H        PHE  77  -5.489  21.802   5.151
  590    HA   PHE  77           HA       PHE  77  -3.445  21.894   2.984
  591    HB2  PHE  77           HB2      PHE  77  -5.769  19.986   3.519
  592    HB3  PHE  77           HB3      PHE  77  -4.680  19.946   2.132
  593    HD1  PHE  77           HD1      PHE  77  -2.221  19.909   2.627
  594    HD2  PHE  77           HD2      PHE  77  -5.107  18.977   5.599
  595    HE1  PHE  77           HE1      PHE  77  -0.360  19.074   4.089
  596    HE2  PHE  77           HE2      PHE  77  -3.360  18.026   7.014
  597    HZ   PHE  77           HZ       PHE  77  -0.971  17.969   6.250
  598    H    PHE  78           H        PHE  78  -3.859  23.602   1.812
  599    HA   PHE  78           HA       PHE  78  -6.531  24.611   1.155
  600    HB2  PHE  78           HB2      PHE  78  -4.463  26.018   1.105
  601    HB3  PHE  78           HB3      PHE  78  -3.874  25.001  -0.201
  602    HD1  PHE  78           HD1      PHE  78  -6.646  27.307   0.793
  603    HD2  PHE  78           HD2      PHE  78  -4.541  25.405  -2.448
  604    HE1  PHE  78           HE1      PHE  78  -7.819  28.780  -0.848
  605    HE2  PHE  78           HE2      PHE  78  -5.651  26.919  -4.064
  606    HZ   PHE  78           HZ       PHE  78  -7.245  28.660  -3.244
  607    H    ILE  79           H        ILE  79  -7.805  23.296   0.018
  608    HA   ILE  79           HA       ILE  79  -6.583  21.394  -1.900
  609    HB   ILE  79           HB       ILE  79  -8.608  19.963  -1.230
  610   HG12  ILE  79          HG12      ILE  79  -8.684  21.647   1.266
  611   HG13  ILE  79          HG13      ILE  79  -9.693  22.058  -0.109
  612   HG21  ILE  79          HG21      ILE  79  -6.644  19.088  -0.436
  613   HG22  ILE  79          HG22      ILE  79  -6.222  20.503   0.558
  614   HG23  ILE  79          HG23      ILE  79  -7.491  19.400   1.071
  615   HD11  ILE  79          HD11      ILE  79  -9.931  19.510   1.426
  616   HD12  ILE  79          HD12      ILE  79 -10.970  20.969   1.447
  617   HD13  ILE  79          HD13      ILE  79 -10.871  19.996  -0.027
  618    H    HIS  80           H        HIS  80  -7.650  20.964  -3.832
  619    HA   HIS  80           HA       HIS  80  -9.894  22.797  -4.523
  620    HB2  HIS  80           HB2      HIS  80  -8.146  22.185  -6.225
  621    HB3  HIS  80           HB3      HIS  80  -8.795  20.526  -6.177
  622    HD2  HIS  80           HD2      HIS  80  -9.673  24.068  -7.287
  623    HE1  HIS  80           HE1      HIS  80 -12.790  21.555  -8.761
  624    HE2  HIS  80           HE2      HIS  80 -11.830  23.904  -8.837
  625    H    TYR  81           H        TYR  81 -11.837  22.155  -3.838
  626    HA   TYR  81           HA       TYR  81 -12.353  19.400  -2.963
  627    HB2  TYR  81           HB2      TYR  81 -13.938  21.918  -2.869
  628    HB3  TYR  81           HB3      TYR  81 -14.818  20.404  -2.967
  629    HD1  TYR  81           HD1      TYR  81 -14.241  18.502  -1.292
  630    HD2  TYR  81           HD2      TYR  81 -13.246  22.656  -0.656
  631    HE1  TYR  81           HE1      TYR  81 -14.344  18.140   1.130
  632    HE2  TYR  81           HE2      TYR  81 -13.383  22.312   1.780
  633    HH   TYR  81           HH       TYR  81 -14.272  19.141   3.240
  634    H    GLN  82           H        GLN  82 -12.375  17.996  -4.589
  635    HA   GLN  82           HA       GLN  82 -12.981  18.797  -7.322
  636    HB2  GLN  82           HB2      GLN  82 -12.537  15.966  -6.301
  637    HB3  GLN  82           HB3      GLN  82 -12.381  16.564  -7.957
  638    HG2  GLN  82           HG2      GLN  82 -10.475  18.057  -7.148
  639    HG3  GLN  82           HG3      GLN  82 -10.621  17.257  -5.573
  640   HE21  GLN  82          HE21      GLN  82  -9.322  15.575  -5.227
  641   HE22  GLN  82          HE22      GLN  82  -8.595  14.584  -6.472
  642    H    GLY  83           H        GLY  83 -14.627  17.808  -8.645
  643    HA2  GLY  83           HA2      GLY  83 -16.808  17.225  -9.091
  644    HA3  GLY  83           HA3      GLY  83 -16.959  16.544  -7.457
  645    H    TRP  84           H        TRP  84 -15.738  19.723  -7.107
  646    HA   TRP  84           HA       TRP  84 -18.457  20.910  -7.151
  647    HB2  TRP  84           HB2      TRP  84 -16.580  21.025  -4.748
  648    HB3  TRP  84           HB3      TRP  84 -18.105  21.911  -4.947
  649    HD1  TRP  84           HD1      TRP  84 -16.908  18.828  -3.403
  650    HE1  TRP  84           HE1      TRP  84 -18.948  17.471  -2.600
  651    HE3  TRP  84           HE3      TRP  84 -20.513  21.184  -6.107
  652    HZ2  TRP  84           HZ2      TRP  84 -21.783  17.580  -2.944
  653    HZ3  TRP  84           HZ3      TRP  84 -22.928  20.554  -5.851
  654    HH2  TRP  84           HH2      TRP  84 -23.572  18.766  -4.244
  655    H    LYS  85           H        LYS  85 -18.272  23.332  -6.681
  656    HA   LYS  85           HA       LYS  85 -16.917  24.424  -8.924
  657    HB2  LYS  85           HB2      LYS  85 -17.956  25.845  -6.414
  658    HB3  LYS  85           HB3      LYS  85 -17.573  26.625  -7.942
  659    HG2  LYS  85           HG2      LYS  85 -19.827  24.632  -7.428
  660    HG3  LYS  85           HG3      LYS  85 -19.992  26.363  -7.667
  661    HD2  LYS  85           HD2      LYS  85 -19.057  24.343  -9.763
  662    HD3  LYS  85           HD3      LYS  85 -20.658  25.088  -9.656
  663    HE2  LYS  85           HE2      LYS  85 -19.617  27.343  -9.956
  664    HE3  LYS  85           HE3      LYS  85 -18.033  26.568 -10.148
  665    HZ1  LYS  85           HZ1      LYS  85 -20.361  26.148 -11.933
  666    HZ2  LYS  85           HZ2      LYS  85 -19.051  27.059 -12.277
  667    HZ3  LYS  85           HZ3      LYS  85 -18.892  25.442 -12.111
  668    H    SER  86           H        SER  86 -14.921  25.364  -9.152
  669    HA   SER  86           HA       SER  86 -12.897  25.097  -7.265
  670    HB2  SER  86           HB2      SER  86 -13.076  27.193  -9.481
  671    HB3  SER  86           HB3      SER  86 -11.598  26.537  -8.749
  672    HG   SER  86           HG       SER  86 -12.106  25.506 -10.714
  673    H    SER  87           H        SER  87 -15.496  27.418  -7.098
  674    HA   SER  87           HA       SER  87 -14.286  29.475  -5.592
  675    HB2  SER  87           HB2      SER  87 -17.024  28.283  -5.076
  676    HB3  SER  87           HB3      SER  87 -16.508  29.960  -4.883
  677    HG   SER  87           HG       SER  87 -17.715  29.711  -6.792
  678    H    TRP  88           H        TRP  88 -14.929  26.100  -4.818
  679    HA   TRP  88           HA       TRP  88 -14.542  26.385  -1.943
  680    HB2  TRP  88           HB2      TRP  88 -14.872  23.965  -3.753
  681    HB3  TRP  88           HB3      TRP  88 -14.703  23.914  -2.021
  682    HD1  TRP  88           HD1      TRP  88 -17.218  26.367  -3.617
  683    HE1  TRP  88           HE1      TRP  88 -19.520  25.695  -2.798
  684    HE3  TRP  88           HE3      TRP  88 -15.921  22.138  -1.127
  685    HZ2  TRP  88           HZ2      TRP  88 -20.748  23.360  -1.487
  686    HZ3  TRP  88           HZ3      TRP  88 -17.682  20.600  -0.221
  687    HH2  TRP  88           HH2      TRP  88 -20.084  21.211  -0.393
  688    H    ASP  89           H        ASP  89 -12.240  26.993  -4.082
  689    HA   ASP  89           HA       ASP  89 -10.174  25.076  -3.311
  690    HB2  ASP  89           HB2      ASP  89 -10.212  27.733  -4.761
  691    HB3  ASP  89           HB3      ASP  89  -8.733  27.158  -4.023
  692    H    GLU  90           H        GLU  90 -10.327  24.897  -1.072
  693    HA   GLU  90           HA       GLU  90  -9.920  27.309   0.623
  694    HB2  GLU  90           HB2      GLU  90 -12.377  26.569   0.263
  695    HB3  GLU  90           HB3      GLU  90 -11.912  24.985   0.904
  696    HG2  GLU  90           HG2      GLU  90 -13.112  26.383   2.535
  697    HG3  GLU  90           HG3      GLU  90 -11.536  25.877   3.091
  698    H    TRP  91           H        TRP  91  -8.834  26.786   2.693
  699    HA   TRP  91           HA       TRP  91  -7.693  24.136   2.725
  700    HB2  TRP  91           HB2      TRP  91  -7.320  25.479   5.274
  701    HB3  TRP  91           HB3      TRP  91  -6.181  24.704   4.208
  702    HD1  TRP  91           HD1      TRP  91  -8.163  28.006   4.306
  703    HE1  TRP  91           HE1      TRP  91  -6.511  29.921   4.024
  704    HE3  TRP  91           HE3      TRP  91  -3.755  25.396   3.749
  705    HZ2  TRP  91           HZ2      TRP  91  -3.928  30.255   2.750
  706    HZ3  TRP  91           HZ3      TRP  91  -1.691  26.604   3.075
  707    HH2  TRP  91           HH2      TRP  91  -1.810  29.057   2.497
  708    H    VAL  92           H        VAL  92  -7.814  22.596   4.232
  709    HA   VAL  92           HA       VAL  92  -9.890  22.827   6.358
  710    HB   VAL  92           HB       VAL  92 -10.357  20.362   6.025
  711   HG11  VAL  92          HG11      VAL  92 -11.957  22.070   5.241
  712   HG12  VAL  92          HG12      VAL  92 -11.120  22.106   3.668
  713   HG13  VAL  92          HG13      VAL  92 -11.897  20.608   4.223
  714   HG21  VAL  92          HG21      VAL  92  -9.960  19.347   3.888
  715   HG22  VAL  92          HG22      VAL  92  -9.075  20.777   3.307
  716   HG23  VAL  92          HG23      VAL  92  -8.416  19.823   4.629
  717    H    GLY  93           H        GLY  93  -9.394  21.511   8.218
  718    HA2  GLY  93           HA2      GLY  93  -6.492  21.120   8.600
  719    HA3  GLY  93           HA3      GLY  93  -7.750  21.090   9.846
  720    H    TYR  94           H        TYR  94  -5.830  19.135   9.643
  721    HA   TYR  94           HA       TYR  94  -6.682  16.697   8.498
  722    HB2  TYR  94           HB2      TYR  94  -4.688  17.648  10.269
  723    HB3  TYR  94           HB3      TYR  94  -5.516  16.350  11.150
  724    HD1  TYR  94           HD1      TYR  94  -6.135  14.284   9.503
  725    HD2  TYR  94           HD2      TYR  94  -2.951  17.107   8.927
  726    HE1  TYR  94           HE1      TYR  94  -5.190  12.813   7.770
  727    HE2  TYR  94           HE2      TYR  94  -2.094  15.715   7.045
  728    HH   TYR  94           HH       TYR  94  -3.405  12.433   6.321
  729    H    ASP  95           H        ASP  95  -7.932  18.512  11.098
  730    HA   ASP  95           HA       ASP  95  -9.554  16.839  12.569
  731    HB2  ASP  95           HB2      ASP  95  -9.451  19.171  13.099
  732    HB3  ASP  95           HB3      ASP  95  -9.911  19.644  11.464
  733    H    ARG  96           H        ARG  96  -9.947  17.686   9.157
  734    HA   ARG  96           HA       ARG  96 -12.150  15.712   9.069
  735    HB2  ARG  96           HB2      ARG  96 -13.564  17.097   7.701
  736    HB3  ARG  96           HB3      ARG  96 -13.244  17.856   9.243
  737    HG2  ARG  96           HG2      ARG  96 -11.319  19.136   7.891
  738    HG3  ARG  96           HG3      ARG  96 -12.249  18.630   6.482
  739    HD2  ARG  96           HD2      ARG  96 -12.950  20.841   7.113
  740    HD3  ARG  96           HD3      ARG  96 -14.277  19.731   7.507
  741    HE   ARG  96           HE       ARG  96 -12.836  19.828   9.848
  742   HH11  ARG  96          HH11      ARG  96 -14.304  22.427   7.883
  743   HH12  ARG  96          HH12      ARG  96 -14.491  23.476   9.257
  744   HH21  ARG  96          HH21      ARG  96 -13.119  21.127  11.538
  745   HH22  ARG  96          HH22      ARG  96 -13.796  22.752  11.405
  746    H    ILE  97           H        ILE  97  -9.230  16.951   7.437
  747    HA   ILE  97           HA       ILE  97  -9.996  15.229   5.155
  748    HB   ILE  97           HB       ILE  97  -9.205  17.551   4.878
  749   HG12  ILE  97          HG12      ILE  97  -7.557  15.449   3.420
  750   HG13  ILE  97          HG13      ILE  97  -9.178  15.979   2.975
  751   HG21  ILE  97          HG21      ILE  97  -6.333  16.627   5.094
  752   HG22  ILE  97          HG22      ILE  97  -7.104  18.240   5.030
  753   HG23  ILE  97          HG23      ILE  97  -7.159  17.294   6.539
  754   HD11  ILE  97          HD11      ILE  97  -6.572  17.482   2.842
  755   HD12  ILE  97          HD12      ILE  97  -7.811  17.238   1.587
  756   HD13  ILE  97          HD13      ILE  97  -8.115  18.341   2.923
  757    H    ARG  98           H        ARG  98  -8.706  13.703   4.295
  758    HA   ARG  98           HA       ARG  98  -6.250  12.813   5.704
  759    HB2  ARG  98           HB2      ARG  98  -8.495  11.004   4.868
  760    HB3  ARG  98           HB3      ARG  98  -6.814  10.533   5.268
  761    HG2  ARG  98           HG2      ARG  98  -7.102  11.413   7.573
  762    HG3  ARG  98           HG3      ARG  98  -8.806  11.835   7.206
  763    HD2  ARG  98           HD2      ARG  98  -9.317   9.564   6.640
  764    HD3  ARG  98           HD3      ARG  98  -7.596   9.118   6.749
  765    HE   ARG  98           HE       ARG  98  -8.479  10.075   9.283
  766   HH11  ARG  98          HH11      ARG  98  -8.992   7.311   7.095
  767   HH12  ARG  98          HH12      ARG  98  -8.815   6.101   8.345
  768   HH21  ARG  98          HH21      ARG  98  -8.521   8.462  10.984
  769   HH22  ARG  98          HH22      ARG  98  -8.734   6.788  10.585
  770    H    ALA  99           H        ALA  99  -4.881  11.596   4.132
  771    HA   ALA  99           HA       ALA  99  -4.972  12.603   1.433
  772    HB1  ALA  99           HB1      ALA  99  -2.975  11.881   2.874
  773    HB2  ALA  99           HB2      ALA  99  -3.394  10.233   2.418
  774    HB3  ALA  99           HB3      ALA  99  -2.935  11.471   1.144
  775    H    TYR 100           H        TYR 100  -4.762  11.003  -0.443
  776    HA   TYR 100           HA       TYR 100  -7.131   9.392  -0.564
  777    HB2  TYR 100           HB2      TYR 100  -5.606  10.573  -2.392
  778    HB3  TYR 100           HB3      TYR 100  -4.957   8.963  -2.540
  779    HD1  TYR 100           HD1      TYR 100  -8.226  10.824  -2.495
  780    HD2  TYR 100           HD2      TYR 100  -6.057   7.375  -3.904
  781    HE1  TYR 100           HE1      TYR 100 -10.143  10.215  -3.951
  782    HE2  TYR 100           HE2      TYR 100  -7.966   6.758  -5.358
  783    HH   TYR 100           HH       TYR 100 -10.983   8.708  -5.528
  784    H    ASN 101           H        ASN 101  -7.369   7.302   0.084
  785    HA   ASN 101           HA       ASN 101  -5.468   5.278  -0.477
  786    HB2  ASN 101           HB2      ASN 101  -4.843   4.461   1.715
  787    HB3  ASN 101           HB3      ASN 101  -4.299   6.114   1.546
  788   HD21  ASN 101          HD21      ASN 101  -4.867   7.555   3.140
  789   HD22  ASN 101          HD22      ASN 101  -6.032   7.188   4.391
  790    H    GLU 102           H        GLU 102  -6.158   3.124   0.400
  791    HA   GLU 102           HA       GLU 102  -8.777   2.699  -0.512
  792    HB2  GLU 102           HB2      GLU 102  -6.917   0.842   1.036
  793    HB3  GLU 102           HB3      GLU 102  -8.379   0.332   0.179
  794    HG2  GLU 102           HG2      GLU 102  -7.406   1.245  -1.954
  795    HG3  GLU 102           HG3      GLU 102  -5.895   1.548  -1.095
  796    H    GLU 103           H        GLU 103  -7.631   3.081   2.837
  797    HA   GLU 103           HA       GLU 103 -10.046   1.966   4.039
  798    HB2  GLU 103           HB2      GLU 103  -8.349   1.850   5.515
  799    HB3  GLU 103           HB3      GLU 103  -7.534   3.302   4.958
  800    HG2  GLU 103           HG2      GLU 103  -9.013   4.751   6.128
  801    HG3  GLU 103           HG3      GLU 103 -10.116   3.422   6.554
  802    H    ASN 104           H        ASN 104  -8.978   5.142   2.823
  803    HA   ASN 104           HA       ASN 104 -11.353   6.456   3.982
  804    HB2  ASN 104           HB2      ASN 104  -9.300   7.521   2.027
  805    HB3  ASN 104           HB3      ASN 104 -10.616   8.445   2.783
  806   HD21  ASN 104          HD21      ASN 104  -7.662   8.879   2.986
  807   HD22  ASN 104          HD22      ASN 104  -7.325   8.781   4.687
  808    H    ILE 105           H        ILE 105 -10.417   4.833   0.935
  809    HA   ILE 105           HA       ILE 105 -12.776   5.708  -0.455
  810    HB   ILE 105           HB       ILE 105 -10.708   3.551  -0.698
  811   HG12  ILE 105          HG12      ILE 105  -9.573   5.092  -1.843
  812   HG13  ILE 105          HG13      ILE 105 -10.895   5.214  -3.018
  813   HG21  ILE 105          HG21      ILE 105 -13.073   3.979  -2.492
  814   HG22  ILE 105          HG22      ILE 105 -11.622   3.026  -2.940
  815   HG23  ILE 105          HG23      ILE 105 -12.619   2.522  -1.565
  816   HD11  ILE 105          HD11      ILE 105 -10.161   7.412  -2.272
  817   HD12  ILE 105          HD12      ILE 105 -11.844   7.147  -1.769
  818   HD13  ILE 105          HD13      ILE 105 -10.511   7.028  -0.603
  819    H    ALA 106           H        ALA 106 -12.016   3.089   1.869
  820    HA   ALA 106           HA       ALA 106 -14.520   1.749   1.477
  821    HB1  ALA 106           HB1      ALA 106 -14.017   0.641   3.549
  822    HB2  ALA 106           HB2      ALA 106 -12.503   0.836   2.623
  823    HB3  ALA 106           HB3      ALA 106 -12.848   1.890   4.013
  824    H    MET 107           H        MET 107 -13.447   4.454   3.608
  825    HA   MET 107           HA       MET 107 -16.046   5.007   4.655
  826    HB2  MET 107           HB2      MET 107 -15.036   6.605   5.823
  827    HB3  MET 107           HB3      MET 107 -13.538   6.028   5.110
  828    HG2  MET 107           HG2      MET 107 -14.175   7.875   3.272
  829    HG3  MET 107           HG3      MET 107 -15.140   8.490   4.586
  830    HE1  MET 107           HE1      MET 107 -13.892  10.577   4.236
  831    HE2  MET 107           HE2      MET 107 -12.126  10.873   4.292
  832    HE3  MET 107           HE3      MET 107 -12.817   9.860   2.978
  833    H    LYS 108           H        LYS 108 -14.484   6.289   1.634
  834    HA   LYS 108           HA       LYS 108 -16.580   7.964   0.850
  835    HB2  LYS 108           HB2      LYS 108 -14.424   7.940  -0.371
  836    HB3  LYS 108           HB3      LYS 108 -14.693   6.280  -0.866
  837    HG2  LYS 108           HG2      LYS 108 -15.050   7.694  -2.752
  838    HG3  LYS 108           HG3      LYS 108 -16.513   6.858  -2.325
  839    HD2  LYS 108           HD2      LYS 108 -17.574   8.848  -2.474
  840    HD3  LYS 108           HD3      LYS 108 -16.822   9.302  -0.962
  841    HE2  LYS 108           HE2      LYS 108 -16.199  11.044  -2.375
  842    HE3  LYS 108           HE3      LYS 108 -14.758   9.982  -2.432
  843    HZ1  LYS 108           HZ1      LYS 108 -15.349  10.667  -4.677
  844    HZ2  LYS 108           HZ2      LYS 108 -15.667   9.074  -4.532
  845    HZ3  LYS 108           HZ3      LYS 108 -16.894  10.154  -4.486
  846    H    LYS 109           H        LYS 109 -16.065   4.521  -0.277
  847    HA   LYS 109           HA       LYS 109 -18.527   4.486  -1.666
  848    HB2  LYS 109           HB2      LYS 109 -18.189   2.149  -2.007
  849    HB3  LYS 109           HB3      LYS 109 -16.610   2.940  -2.039
  850    HG2  LYS 109           HG2      LYS 109 -16.310   2.153   0.344
  851    HG3  LYS 109           HG3      LYS 109 -17.781   1.189   0.124
  852    HD2  LYS 109           HD2      LYS 109 -16.756   0.154  -1.934
  853    HD3  LYS 109           HD3      LYS 109 -15.259   1.084  -1.633
  854    HE2  LYS 109           HE2      LYS 109 -15.004   0.059   0.528
  855    HE3  LYS 109           HE3      LYS 109 -16.560  -0.786   0.352
  856    HZ1  LYS 109           HZ1      LYS 109 -15.585  -2.053  -1.473
  857    HZ2  LYS 109           HZ2      LYS 109 -14.154  -1.263  -1.318
  858    HZ3  LYS 109           HZ3      LYS 109 -14.680  -2.257  -0.130
  859    H    ARG 110           H        ARG 110 -17.876   3.528   1.733
  860    HA   ARG 110           HA       ARG 110 -20.501   2.525   2.251
  861    HB2  ARG 110           HB2      ARG 110 -18.568   2.121   3.698
  862    HB3  ARG 110           HB3      ARG 110 -18.452   3.830   4.114
  863    HG2  ARG 110           HG2      ARG 110 -21.001   2.279   4.668
  864    HG3  ARG 110           HG3      ARG 110 -19.602   2.118   5.733
  865    HD2  ARG 110           HD2      ARG 110 -19.582   4.410   6.309
  866    HD3  ARG 110           HD3      ARG 110 -20.773   4.850   5.102
  867    HE   ARG 110           HE       ARG 110 -21.243   3.660   7.717
  868   HH11  ARG 110          HH11      ARG 110 -22.731   4.192   4.496
  869   HH12  ARG 110          HH12      ARG 110 -24.342   4.040   5.098
  870   HH21  ARG 110          HH21      ARG 110 -23.395   3.460   8.467
  871   HH22  ARG 110          HH22      ARG 110 -24.727   3.636   7.383
  872    H    LEU 111           H        LEU 111 -19.128   5.839   2.396
  873    HA   LEU 111           HA       LEU 111 -21.463   7.129   3.422
  874    HB2  LEU 111           HB2      LEU 111 -18.992   7.911   1.834
  875    HB3  LEU 111           HB3      LEU 111 -20.253   9.069   2.022
  876    HG   LEU 111           HG       LEU 111 -18.867   7.701   4.351
  877   HD11  LEU 111          HD11      LEU 111 -18.455  10.533   3.371
  878   HD12  LEU 111          HD12      LEU 111 -17.427   9.600   4.478
  879   HD13  LEU 111          HD13      LEU 111 -17.457   9.182   2.787
  880   HD21  LEU 111          HD21      LEU 111 -19.903   9.727   5.561
  881   HD22  LEU 111          HD22      LEU 111 -20.956   9.885   4.124
  882   HD23  LEU 111          HD23      LEU 111 -20.990   8.420   5.105
  883    H    ALA 112           H        ALA 112 -20.194   6.798   0.122
  884    HA   ALA 112           HA       ALA 112 -22.261   8.076  -1.230
  885    HB1  ALA 112           HB1      ALA 112 -20.483   5.827  -2.240
  886    HB2  ALA 112           HB2      ALA 112 -21.385   6.981  -3.243
  887    HB3  ALA 112           HB3      ALA 112 -20.074   7.564  -2.196
  888    H    ASN 113           H        ASN 113 -22.537   4.977   0.333
  889    HA   ASN 113           HA       ASN 113 -24.753   3.985  -1.306
  890    HB2  ASN 113           HB2      ASN 113 -23.711   3.324   1.456
  891    HB3  ASN 113           HB3      ASN 113 -25.332   2.826   0.997
  892   HD21  ASN 113          HD21      ASN 113 -21.982   2.756  -0.398
  893   HD22  ASN 113          HD22      ASN 113 -22.167   1.159  -1.085
  894    H    LEU 114           H        LEU 114 -24.428   6.394   1.239
  895    HA   LEU 114           HA       LEU 114 -27.263   6.617   1.835
  896    HB2  LEU 114           HB2      LEU 114 -25.406   7.158   3.413
  897    HB3  LEU 114           HB3      LEU 114 -24.947   8.515   2.403
  898    HG   LEU 114           HG       LEU 114 -26.225   8.957   4.532
  899   HD11  LEU 114          HD11      LEU 114 -25.902  10.656   2.768
  900   HD12  LEU 114          HD12      LEU 114 -27.468  10.213   2.067
  901   HD13  LEU 114          HD13      LEU 114 -27.382  10.872   3.709
  902   HD21  LEU 114          HD21      LEU 114 -28.634   8.803   4.578
  903   HD22  LEU 114          HD22      LEU 114 -28.671   8.109   2.943
  904   HD23  LEU 114          HD23      LEU 114 -27.943   7.198   4.280
  905    H    GLU 115           H        GLU 115 -24.920   8.210  -0.306
  906    HA   GLU 115           HA       GLU 115 -26.351  10.487  -1.060
  907    HB2  GLU 115           HB2      GLU 115 -23.961  10.027  -1.583
  908    HB3  GLU 115           HB3      GLU 115 -24.453   8.845  -2.797
  909    HG2  GLU 115           HG2      GLU 115 -25.638  10.638  -4.061
  910    HG3  GLU 115           HG3      GLU 115 -25.177  11.809  -2.818
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  -1.925  -3.391   5.844
    2    H2   MET   1           H2       MET   1  -0.829  -2.863   6.936
    3    H3   MET   1           H3       MET   1  -2.305  -3.384   7.441
    4    HA   MET   1           HA       MET   1  -3.383  -1.589   6.301
    5    HB2  MET   1           HB2      MET   1  -2.833   0.198   7.774
    6    HB3  MET   1           HB3      MET   1  -2.741  -1.299   8.687
    7    HG2  MET   1           HG2      MET   1  -0.361   0.266   7.598
    8    HG3  MET   1           HG3      MET   1  -0.970   0.334   9.243
    9    HE1  MET   1           HE1      MET   1   2.541  -1.383   9.579
   10    HE2  MET   1           HE2      MET   1   2.064  -0.131   8.406
   11    HE3  MET   1           HE3      MET   1   1.515  -0.026  10.097
   12    H    VAL   2           H        VAL   2  -3.169   0.492   5.167
   13    HA   VAL   2           HA       VAL   2  -1.087   0.518   3.135
   14    HB   VAL   2           HB       VAL   2  -3.119   2.669   3.891
   15   HG11  VAL   2          HG11      VAL   2  -2.762   3.375   1.482
   16   HG12  VAL   2          HG12      VAL   2  -1.348   3.612   2.502
   17   HG13  VAL   2          HG13      VAL   2  -1.422   2.225   1.389
   18   HG21  VAL   2          HG21      VAL   2  -4.451   1.797   1.973
   19   HG22  VAL   2          HG22      VAL   2  -3.312   0.437   1.811
   20   HG23  VAL   2          HG23      VAL   2  -4.315   0.608   3.266
   21    H    ASP   3           H        ASP   3   0.593   2.118   2.980
   22    HA   ASP   3           HA       ASP   3   1.173   3.859   5.256
   23    HB2  ASP   3           HB2      ASP   3   2.309   1.754   5.887
   24    HB3  ASP   3           HB3      ASP   3   3.094   1.690   4.307
   25    H    LEU   4           H        LEU   4   2.858   5.364   4.624
   26    HA   LEU   4           HA       LEU   4   3.682   7.019   3.437
   27    HB2  LEU   4           HB2      LEU   4   5.104   5.345   2.381
   28    HB3  LEU   4           HB3      LEU   4   3.867   5.010   1.169
   29    HG   LEU   4           HG       LEU   4   4.080   7.317   0.278
   30   HD11  LEU   4          HD11      LEU   4   4.855   8.555   2.258
   31   HD12  LEU   4          HD12      LEU   4   6.359   7.595   2.293
   32   HD13  LEU   4          HD13      LEU   4   6.029   8.718   0.952
   33   HD21  LEU   4          HD21      LEU   4   6.274   6.998  -0.774
   34   HD22  LEU   4          HD22      LEU   4   6.715   5.802   0.467
   35   HD23  LEU   4          HD23      LEU   4   5.394   5.470  -0.672
   36    H    GLU   5           H        GLU   5   1.285   5.313   1.402
   37    HA   GLU   5           HA       GLU   5   0.481   7.646  -0.060
   38    HB2  GLU   5           HB2      GLU   5  -1.040   5.070   0.499
   39    HB3  GLU   5           HB3      GLU   5  -1.484   6.260  -0.721
   40    HG2  GLU   5           HG2      GLU   5   1.102   4.636  -0.715
   41    HG3  GLU   5           HG3      GLU   5  -0.336   4.284  -1.663
   42    H    GLN   6           H        GLN   6  -0.557   6.279   3.032
   43    HA   GLN   6           HA       GLN   6  -2.920   7.686   3.447
   44    HB2  GLN   6           HB2      GLN   6  -1.808   5.619   4.570
   45    HB3  GLN   6           HB3      GLN   6  -0.919   6.798   5.551
   46    HG2  GLN   6           HG2      GLN   6  -3.106   7.710   6.326
   47    HG3  GLN   6           HG3      GLN   6  -3.923   6.514   5.306
   48   HE21  GLN   6          HE21      GLN   6  -1.943   6.941   8.259
   49   HE22  GLN   6          HE22      GLN   6  -2.264   5.348   8.918
   50    H    GLU   7           H        GLU   7   0.419   8.814   3.682
   51    HA   GLU   7           HA       GLU   7  -0.103  10.959   5.590
   52    HB2  GLU   7           HB2      GLU   7   2.161  10.500   3.570
   53    HB3  GLU   7           HB3      GLU   7   2.112  11.770   4.781
   54    HG2  GLU   7           HG2      GLU   7   1.970  10.049   6.601
   55    HG3  GLU   7           HG3      GLU   7   2.185   8.783   5.392
   56    H    PHE   8           H        PHE   8  -0.560  13.071   5.047
   57    HA   PHE   8           HA       PHE   8  -1.638  13.832   2.523
   58    HB2  PHE   8           HB2      PHE   8  -1.368  16.086   3.151
   59    HB3  PHE   8           HB3      PHE   8  -1.759  15.260   4.646
   60    HD1  PHE   8           HD1      PHE   8   0.199  14.729   6.283
   61    HD2  PHE   8           HD2      PHE   8   0.754  17.130   2.744
   62    HE1  PHE   8           HE1      PHE   8   2.356  15.560   7.184
   63    HE2  PHE   8           HE2      PHE   8   2.921  17.947   3.643
   64    HZ   PHE   8           HZ       PHE   8   3.726  17.152   5.859
   65    H    ALA   9           H        ALA   9  -0.672  14.485   0.666
   66    HA   ALA   9           HA       ALA   9   2.338  14.519   0.612
   67    HB1  ALA   9           HB1      ALA   9   1.397  12.439  -0.144
   68    HB2  ALA   9           HB2      ALA   9   0.218  13.320  -1.164
   69    HB3  ALA   9           HB3      ALA   9   1.962  13.369  -1.584
   70    H    LEU  10           H        LEU  10   3.277  15.995  -0.886
   71    HA   LEU  10           HA       LEU  10   1.630  18.292  -1.316
   72    HB2  LEU  10           HB2      LEU  10   4.441  17.859  -1.326
   73    HB3  LEU  10           HB3      LEU  10   4.005  18.410  -2.961
   74    HG   LEU  10           HG       LEU  10   3.402  19.845  -0.351
   75   HD11  LEU  10          HD11      LEU  10   4.883  21.582  -1.336
   76   HD12  LEU  10          HD12      LEU  10   5.719  20.031  -1.130
   77   HD13  LEU  10          HD13      LEU  10   5.173  20.536  -2.740
   78   HD21  LEU  10          HD21      LEU  10   1.482  20.306  -1.688
   79   HD22  LEU  10          HD22      LEU  10   2.566  21.665  -1.994
   80   HD23  LEU  10          HD23      LEU  10   2.419  20.341  -3.178
   81    H    GLY  11           H        GLY  11   0.042  17.803  -2.511
   82    HA2  GLY  11           HA2      GLY  11  -1.087  17.890  -4.589
   83    HA3  GLY  11           HA3      GLY  11   0.376  17.337  -5.441
   84    H    GLY  12           H        GLY  12  -0.822  15.840  -2.414
   85    HA2  GLY  12           HA2      GLY  12  -1.374  13.306  -3.775
   86    HA3  GLY  12           HA3      GLY  12  -1.620  13.711  -2.049
   87    H    ARG  13           H        ARG  13  -3.584  12.526  -3.462
   88    HA   ARG  13           HA       ARG  13  -5.598  14.653  -4.016
   89    HB2  ARG  13           HB2      ARG  13  -5.233  12.504  -5.570
   90    HB3  ARG  13           HB3      ARG  13  -6.055  11.687  -4.236
   91    HG2  ARG  13           HG2      ARG  13  -8.025  13.111  -4.514
   92    HG3  ARG  13           HG3      ARG  13  -7.204  13.964  -5.854
   93    HD2  ARG  13           HD2      ARG  13  -6.963  11.865  -7.098
   94    HD3  ARG  13           HD3      ARG  13  -7.532  10.953  -5.714
   95    HE   ARG  13           HE       ARG  13  -9.769  11.602  -6.126
   96   HH11  ARG  13          HH11      ARG  13  -7.634  12.951  -8.666
   97   HH12  ARG  13          HH12      ARG  13  -8.959  13.349  -9.699
   98   HH21  ARG  13          HH21      ARG  13 -11.392  11.996  -7.463
   99   HH22  ARG  13          HH22      ARG  13 -11.184  12.747  -9.039
  100    H    CYS  14           H        CYS  14  -7.411  14.381  -2.488
  101    HA   CYS  14           HA       CYS  14  -6.894  12.687  -0.108
  102    HB2  CYS  14           HB2      CYS  14  -7.417  15.044   1.083
  103    HB3  CYS  14           HB3      CYS  14  -5.779  14.497   0.749
  104    HG   CYS  14           HG       CYS  14  -5.371  15.720  -1.413
  105    H    LEU  15           H        LEU  15  -8.658  13.361   1.528
  106    HA   LEU  15           HA       LEU  15 -11.330  13.571   0.230
  107    HB2  LEU  15           HB2      LEU  15 -10.445  11.484   2.298
  108    HB3  LEU  15           HB3      LEU  15 -12.059  11.780   1.737
  109    HG   LEU  15           HG       LEU  15 -11.515   9.875   0.738
  110   HD11  LEU  15          HD11      LEU  15 -10.585  11.510  -1.605
  111   HD12  LEU  15          HD12      LEU  15 -11.744  10.171  -1.537
  112   HD13  LEU  15          HD13      LEU  15 -12.191  11.782  -0.932
  113   HD21  LEU  15          HD21      LEU  15  -9.050   9.987   1.292
  114   HD22  LEU  15          HD22      LEU  15  -9.450   9.161  -0.210
  115   HD23  LEU  15          HD23      LEU  15  -8.794  10.812  -0.267
  116    H    ALA  16           H        ALA  16 -12.561  14.911   1.522
  117    HA   ALA  16           HA       ALA  16 -11.623  15.359   4.287
  118    HB1  ALA  16           HB1      ALA  16 -10.625  17.250   3.197
  119    HB2  ALA  16           HB2      ALA  16 -12.102  17.559   2.250
  120    HB3  ALA  16           HB3      ALA  16 -12.063  17.838   4.015
  121    H    PHE  17           H        PHE  17 -13.034  15.241   5.703
  122    HA   PHE  17           HA       PHE  17 -15.657  14.270   4.890
  123    HB2  PHE  17           HB2      PHE  17 -13.760  13.647   6.898
  124    HB3  PHE  17           HB3      PHE  17 -15.138  14.284   7.779
  125    HD1  PHE  17           HD1      PHE  17 -17.504  13.265   6.410
  126    HD2  PHE  17           HD2      PHE  17 -13.652  11.362   6.924
  127    HE1  PHE  17           HE1      PHE  17 -18.558  11.082   6.268
  128    HE2  PHE  17           HE2      PHE  17 -14.750   9.147   6.789
  129    HZ   PHE  17           HZ       PHE  17 -17.191   8.986   6.489
  130    H    HIS  18           H        HIS  18 -17.531  15.373   5.042
  131    HA   HIS  18           HA       HIS  18 -17.494  18.136   6.187
  132    HB2  HIS  18           HB2      HIS  18 -19.170  16.730   4.106
  133    HB3  HIS  18           HB3      HIS  18 -19.886  18.024   5.047
  134    HD2  HIS  18           HD2      HIS  18 -16.359  17.765   3.349
  135    HE1  HIS  18           HE1      HIS  18 -18.130  21.466   2.197
  136    HE2  HIS  18           HE2      HIS  18 -16.053  20.015   2.028
  137    H    GLY  19           H        GLY  19 -19.354  15.055   6.319
  138    HA2  GLY  19           HA2      GLY  19 -19.785  14.731   8.949
  139    HA3  GLY  19           HA3      GLY  19 -20.942  16.026   8.619
  140    HA   PRO  20           HA       PRO  20 -23.775  13.036   6.844
  141    HB2  PRO  20           HB2      PRO  20 -24.683  14.188   4.511
  142    HB3  PRO  20           HB3      PRO  20 -25.219  14.669   6.153
  143    HG2  PRO  20           HG2      PRO  20 -23.131  15.991   4.396
  144    HG3  PRO  20           HG3      PRO  20 -24.416  16.773   5.366
  145    HD2  PRO  20           HD2      PRO  20 -21.850  16.598   6.252
  146    HD3  PRO  20           HD3      PRO  20 -23.222  16.446   7.380
  147    H    LEU  21           H        LEU  21 -21.316  14.428   4.621
  148    HA   LEU  21           HA       LEU  21 -20.587  11.749   3.823
  149    HB2  LEU  21           HB2      LEU  21 -22.199  13.350   2.096
  150    HB3  LEU  21           HB3      LEU  21 -20.590  13.570   1.482
  151    HG   LEU  21           HG       LEU  21 -20.962  10.776   2.105
  152   HD11  LEU  21          HD11      LEU  21 -23.302  11.207   2.072
  153   HD12  LEU  21          HD12      LEU  21 -23.183  11.834   0.398
  154   HD13  LEU  21          HD13      LEU  21 -22.818  10.115   0.770
  155   HD21  LEU  21          HD21      LEU  21 -20.646  10.454  -0.392
  156   HD22  LEU  21          HD22      LEU  21 -20.599  12.235  -0.524
  157   HD23  LEU  21          HD23      LEU  21 -19.365  11.340   0.402
  158    H    MET  22           H        MET  22 -18.690  12.223   2.032
  159    HA   MET  22           HA       MET  22 -16.833  14.268   3.105
  160    HB2  MET  22           HB2      MET  22 -15.987  12.129   3.865
  161    HB3  MET  22           HB3      MET  22 -16.425  11.342   2.359
  162    HG2  MET  22           HG2      MET  22 -14.246  13.424   2.523
  163    HG3  MET  22           HG3      MET  22 -14.018  11.704   2.705
  164    HE1  MET  22           HE1      MET  22 -15.660  10.228   0.599
  165    HE2  MET  22           HE2      MET  22 -14.335  10.137  -0.599
  166    HE3  MET  22           HE3      MET  22 -13.960   9.963   1.126
  167    H    TYR  23           H        TYR  23 -15.416  15.003   1.355
  168    HA   TYR  23           HA       TYR  23 -16.399  14.438  -1.355
  169    HB2  TYR  23           HB2      TYR  23 -16.209  17.273  -0.298
  170    HB3  TYR  23           HB3      TYR  23 -16.506  16.800  -1.976
  171    HD1  TYR  23           HD1      TYR  23 -18.528  14.863  -2.089
  172    HD2  TYR  23           HD2      TYR  23 -18.145  17.986   0.851
  173    HE1  TYR  23           HE1      TYR  23 -20.884  14.516  -1.420
  174    HE2  TYR  23           HE2      TYR  23 -20.519  17.692   1.482
  175    HH   TYR  23           HH       TYR  23 -22.563  15.118  -0.015
  176    H    GLU  24           H        GLU  24 -14.827  14.719  -2.902
  177    HA   GLU  24           HA       GLU  24 -12.220  13.994  -1.879
  178    HB2  GLU  24           HB2      GLU  24 -13.569  14.253  -4.572
  179    HB3  GLU  24           HB3      GLU  24 -11.802  14.414  -4.555
  180    HG2  GLU  24           HG2      GLU  24 -11.484  12.332  -3.528
  181    HG3  GLU  24           HG3      GLU  24 -13.205  12.128  -3.145
  182    H    ALA  25           H        ALA  25 -10.300  15.001  -2.200
  183    HA   ALA  25           HA       ALA  25 -10.423  17.911  -2.270
  184    HB1  ALA  25           HB1      ALA  25 -10.522  17.307   0.071
  185    HB2  ALA  25           HB2      ALA  25  -9.204  16.160  -0.094
  186    HB3  ALA  25           HB3      ALA  25  -8.885  17.877  -0.245
  187    H    LYS  26           H        LYS  26  -8.116  18.775  -2.701
  188    HA   LYS  26           HA       LYS  26  -6.200  16.824  -3.807
  189    HB2  LYS  26           HB2      LYS  26  -7.833  17.524  -5.664
  190    HB3  LYS  26           HB3      LYS  26  -7.240  19.161  -5.452
  191    HG2  LYS  26           HG2      LYS  26  -4.848  17.979  -5.806
  192    HG3  LYS  26           HG3      LYS  26  -5.845  16.676  -6.480
  193    HD2  LYS  26           HD2      LYS  26  -5.163  18.088  -8.311
  194    HD3  LYS  26           HD3      LYS  26  -6.891  18.387  -8.035
  195    HE2  LYS  26           HE2      LYS  26  -6.280  20.434  -6.692
  196    HE3  LYS  26           HE3      LYS  26  -4.570  20.100  -7.010
  197    HZ1  LYS  26           HZ1      LYS  26  -6.604  20.758  -9.047
  198    HZ2  LYS  26           HZ2      LYS  26  -5.366  21.712  -8.554
  199    HZ3  LYS  26           HZ3      LYS  26  -5.035  20.346  -9.380
  200    H    ILE  27           H        ILE  27  -4.573  17.408  -2.402
  201    HA   ILE  27           HA       ILE  27  -4.483  19.953  -1.082
  202    HB   ILE  27           HB       ILE  27  -2.513  17.648  -1.314
  203   HG12  ILE  27          HG12      ILE  27  -3.433  18.230   1.413
  204   HG13  ILE  27          HG13      ILE  27  -4.773  17.911   0.382
  205   HG21  ILE  27          HG21      ILE  27  -2.342  20.168   0.434
  206   HG22  ILE  27          HG22      ILE  27  -1.340  18.714   0.667
  207   HG23  ILE  27          HG23      ILE  27  -1.175  19.641  -0.808
  208   HD11  ILE  27          HD11      ILE  27  -2.341  16.088   0.844
  209   HD12  ILE  27          HD12      ILE  27  -3.975  15.932   1.574
  210   HD13  ILE  27          HD13      ILE  27  -3.692  15.664  -0.195
  211    H    LEU  28           H        LEU  28  -3.383  21.819  -1.621
  212    HA   LEU  28           HA       LEU  28  -1.140  21.701  -3.542
  213    HB2  LEU  28           HB2      LEU  28  -3.205  22.712  -4.581
  214    HB3  LEU  28           HB3      LEU  28  -3.398  23.758  -3.188
  215    HG   LEU  28           HG       LEU  28  -0.778  24.332  -3.882
  216   HD11  LEU  28          HD11      LEU  28  -0.551  24.430  -6.231
  217   HD12  LEU  28          HD12      LEU  28  -0.907  22.780  -5.687
  218   HD13  LEU  28          HD13      LEU  28  -2.189  23.739  -6.462
  219   HD21  LEU  28          HD21      LEU  28  -2.409  26.035  -3.386
  220   HD22  LEU  28          HD22      LEU  28  -1.652  26.375  -4.944
  221   HD23  LEU  28          HD23      LEU  28  -3.298  25.675  -4.885
  222    H    LYS  29           H        LYS  29  -2.695  24.060  -1.302
  223    HA   LYS  29           HA       LYS  29   0.027  24.910  -0.672
  224    HB2  LYS  29           HB2      LYS  29  -2.260  26.314  -1.196
  225    HB3  LYS  29           HB3      LYS  29  -2.283  26.348   0.561
  226    HG2  LYS  29           HG2      LYS  29  -0.564  27.796   0.695
  227    HG3  LYS  29           HG3      LYS  29   0.344  27.059  -0.607
  228    HD2  LYS  29           HD2      LYS  29  -0.252  29.264  -1.309
  229    HD3  LYS  29           HD3      LYS  29  -1.206  28.116  -2.271
  230    HE2  LYS  29           HE2      LYS  29  -3.105  28.416  -0.647
  231    HE3  LYS  29           HE3      LYS  29  -2.096  29.641   0.199
  232    HZ1  LYS  29           HZ1      LYS  29  -3.663  30.663  -1.287
  233    HZ2  LYS  29           HZ2      LYS  29  -2.149  30.973  -1.800
  234    HZ3  LYS  29           HZ3      LYS  29  -3.085  29.857  -2.588
  235    H    ILE  30           H        ILE  30   1.017  24.327   1.248
  236    HA   ILE  30           HA       ILE  30  -0.698  22.921   3.228
  237    HB   ILE  30           HB       ILE  30   0.746  21.260   3.662
  238   HG12  ILE  30          HG12      ILE  30   2.981  21.993   3.498
  239   HG13  ILE  30          HG13      ILE  30   2.768  20.652   2.376
  240   HG21  ILE  30          HG21      ILE  30   0.666  21.298   0.615
  241   HG22  ILE  30          HG22      ILE  30   0.422  19.945   1.726
  242   HG23  ILE  30          HG23      ILE  30  -0.771  21.269   1.579
  243   HD11  ILE  30          HD11      ILE  30   2.466  22.326   0.519
  244   HD12  ILE  30          HD12      ILE  30   2.766  23.593   1.723
  245   HD13  ILE  30          HD13      ILE  30   4.058  22.426   1.314
  246    H    TRP  31           H        TRP  31  -1.035  24.351   4.336
  247    HA   TRP  31           HA       TRP  31   0.852  26.270   5.620
  248    HB2  TRP  31           HB2      TRP  31  -1.291  27.165   5.471
  249    HB3  TRP  31           HB3      TRP  31  -2.061  25.671   5.915
  250    HD1  TRP  31           HD1      TRP  31  -1.874  25.030   8.659
  251    HE1  TRP  31           HE1      TRP  31  -2.187  26.598  10.654
  252    HE3  TRP  31           HE3      TRP  31  -0.780  29.478   6.366
  253    HZ2  TRP  31           HZ2      TRP  31  -1.985  29.411  11.187
  254    HZ3  TRP  31           HZ3      TRP  31  -0.885  31.600   7.667
  255    HH2  TRP  31           HH2      TRP  31  -1.534  31.562  10.073
  256    H    ASP  32           H        ASP  32   1.493  26.211   7.808
  257    HA   ASP  32           HA       ASP  32   1.367  23.679   9.217
  258    HB2  ASP  32           HB2      ASP  32   3.169  23.418   7.477
  259    HB3  ASP  32           HB3      ASP  32   4.049  24.739   8.252
  260    HA   PRO  33           HA       PRO  33   1.402  27.228  12.066
  261    HB2  PRO  33           HB2      PRO  33   1.249  25.789  14.453
  262    HB3  PRO  33           HB3      PRO  33  -0.121  26.246  13.408
  263    HG2  PRO  33           HG2      PRO  33   1.442  23.647  13.434
  264    HG3  PRO  33           HG3      PRO  33  -0.344  23.865  13.367
  265    HD2  PRO  33           HD2      PRO  33   1.084  23.280  11.208
  266    HD3  PRO  33           HD3      PRO  33  -0.257  24.475  11.108
  267    H    SER  34           H        SER  34   3.904  24.814  11.823
  268    HA   SER  34           HA       SER  34   5.642  25.711  13.916
  269    HB2  SER  34           HB2      SER  34   6.474  24.618  11.207
  270    HB3  SER  34           HB3      SER  34   7.390  24.574  12.725
  271    HG   SER  34           HG       SER  34   5.086  23.151  11.925
  272    H    SER  35           H        SER  35   4.857  26.986  10.719
  273    HA   SER  35           HA       SER  35   6.614  29.349  11.243
  274    HB2  SER  35           HB2      SER  35   5.590  28.337   8.562
  275    HB3  SER  35           HB3      SER  35   6.745  29.654   8.845
  276    HG   SER  35           HG       SER  35   7.789  27.686   8.280
  277    H    LYS  36           H        LYS  36   3.375  28.176  10.857
  278    HA   LYS  36           HA       LYS  36   1.382  29.050  10.696
  279    HB2  LYS  36           HB2      LYS  36   2.554  30.269  12.860
  280    HB3  LYS  36           HB3      LYS  36   1.994  31.681  11.984
  281    HG2  LYS  36           HG2      LYS  36  -0.271  31.096  12.171
  282    HG3  LYS  36           HG3      LYS  36   0.052  29.371  12.336
  283    HD2  LYS  36           HD2      LYS  36   0.778  31.393  14.482
  284    HD3  LYS  36           HD3      LYS  36  -0.738  30.459  14.443
  285    HE2  LYS  36           HE2      LYS  36   0.508  28.346  14.457
  286    HE3  LYS  36           HE3      LYS  36   2.041  29.198  14.410
  287    HZ1  LYS  36           HZ1      LYS  36   1.524  30.141  16.590
  288    HZ2  LYS  36           HZ2      LYS  36   0.097  29.342  16.648
  289    HZ3  LYS  36           HZ3      LYS  36   1.511  28.515  16.656
  290    H    MET  37           H        MET  37   2.811  29.193   8.531
  291    HA   MET  37           HA       MET  37   1.507  31.213   6.911
  292    HB2  MET  37           HB2      MET  37   4.519  30.771   6.946
  293    HB3  MET  37           HB3      MET  37   3.653  31.662   5.694
  294    HG2  MET  37           HG2      MET  37   2.799  33.230   7.506
  295    HG3  MET  37           HG3      MET  37   3.884  32.414   8.622
  296    HE1  MET  37           HE1      MET  37   6.068  32.102   5.895
  297    HE2  MET  37           HE2      MET  37   7.288  33.240   6.452
  298    HE3  MET  37           HE3      MET  37   6.578  32.017   7.581
  299    H    TYR  38           H        TYR  38   2.452  30.397   4.509
  300    HA   TYR  38           HA       TYR  38   1.747  27.511   4.441
  301    HB2  TYR  38           HB2      TYR  38   0.420  28.031   2.524
  302    HB3  TYR  38           HB3      TYR  38  -0.074  28.992   3.903
  303    HD1  TYR  38           HD1      TYR  38   0.370  31.350   4.070
  304    HD2  TYR  38           HD2      TYR  38   1.658  29.159   0.603
  305    HE1  TYR  38           HE1      TYR  38   0.831  33.484   2.870
  306    HE2  TYR  38           HE2      TYR  38   1.892  31.279  -0.661
  307    HH   TYR  38           HH       TYR  38   1.445  34.484   1.029
  308    H    THR  39           H        THR  39   1.991  26.911   1.830
  309    HA   THR  39           HA       THR  39   4.486  27.546   0.656
  310    HB   THR  39           HB       THR  39   4.879  24.768   1.231
  311    HG1  THR  39           HG1      THR  39   3.721  25.038   3.223
  312   HG21  THR  39          HG21      THR  39   6.660  26.204   0.680
  313   HG22  THR  39          HG22      THR  39   6.307  27.309   2.027
  314   HG23  THR  39          HG23      THR  39   6.970  25.676   2.340
  315    H    SER  40           H        SER  40   4.483  26.504  -1.446
  316    HA   SER  40           HA       SER  40   2.260  24.676  -2.222
  317    HB2  SER  40           HB2      SER  40   1.873  27.468  -2.210
  318    HB3  SER  40           HB3      SER  40   2.224  27.017  -3.896
  319    HG   SER  40           HG       SER  40   0.056  26.820  -3.519
  320    H    ILE  41           H        ILE  41   2.418  24.272  -4.592
  321    HA   ILE  41           HA       ILE  41   4.905  25.023  -5.894
  322    HB   ILE  41           HB       ILE  41   5.223  22.552  -6.614
  323   HG12  ILE  41          HG12      ILE  41   4.711  20.823  -5.038
  324   HG13  ILE  41          HG13      ILE  41   3.847  21.953  -3.997
  325   HG21  ILE  41          HG21      ILE  41   6.779  23.839  -5.201
  326   HG22  ILE  41          HG22      ILE  41   5.931  23.258  -3.748
  327   HG23  ILE  41          HG23      ILE  41   6.758  22.115  -4.817
  328   HD11  ILE  41          HD11      ILE  41   2.517  20.348  -5.578
  329   HD12  ILE  41          HD12      ILE  41   1.996  22.032  -5.429
  330   HD13  ILE  41          HD13      ILE  41   2.957  21.524  -6.840
  331    HA   PRO  42           HA       PRO  42   2.054  24.877  -9.375
  332    HB2  PRO  42           HB2      PRO  42   3.737  25.435 -11.415
  333    HB3  PRO  42           HB3      PRO  42   3.622  26.567 -10.037
  334    HG2  PRO  42           HG2      PRO  42   5.637  24.293 -10.337
  335    HG3  PRO  42           HG3      PRO  42   5.980  26.040 -10.170
  336    HD2  PRO  42           HD2      PRO  42   5.864  24.475  -7.944
  337    HD3  PRO  42           HD3      PRO  42   5.037  26.080  -7.938
  338    H    ASN  43           H        ASN  43   3.553  22.159  -8.508
  339    HA   ASN  43           HA       ASN  43   3.965  20.554 -10.758
  340    HB2  ASN  43           HB2      ASN  43   4.338  19.776  -8.404
  341    HB3  ASN  43           HB3      ASN  43   2.595  19.698  -8.164
  342   HD21  ASN  43          HD21      ASN  43   1.739  17.635  -8.459
  343   HD22  ASN  43          HD22      ASN  43   2.414  16.437  -9.531
  344    H    ASP  44           H        ASP  44   0.948  21.655  -9.289
  345    HA   ASP  44           HA       ASP  44  -0.428  21.353 -11.788
  346    HB2  ASP  44           HB2      ASP  44  -0.984  19.139 -10.778
  347    HB3  ASP  44           HB3      ASP  44  -1.592  19.966  -9.332
  348    H    LYS  45           H        LYS  45  -2.229  22.763 -11.769
  349    HA   LYS  45           HA       LYS  45  -2.025  25.181 -10.298
  350    HB2  LYS  45           HB2      LYS  45  -4.035  25.762 -11.573
  351    HB3  LYS  45           HB3      LYS  45  -2.941  24.846 -12.603
  352    HG2  LYS  45           HG2      LYS  45  -4.378  22.769 -11.815
  353    HG3  LYS  45           HG3      LYS  45  -5.578  23.972 -11.403
  354    HD2  LYS  45           HD2      LYS  45  -5.875  24.639 -13.643
  355    HD3  LYS  45           HD3      LYS  45  -4.327  23.966 -14.178
  356    HE2  LYS  45           HE2      LYS  45  -6.616  22.245 -13.128
  357    HE3  LYS  45           HE3      LYS  45  -6.422  22.648 -14.832
  358    HZ1  LYS  45           HZ1      LYS  45  -4.313  21.529 -14.855
  359    HZ2  LYS  45           HZ2      LYS  45  -4.336  21.214 -13.255
  360    HZ3  LYS  45           HZ3      LYS  45  -5.423  20.500 -14.246
  361    HA   PRO  46           HA       PRO  46  -4.672  24.429  -6.727
  362    HB2  PRO  46           HB2      PRO  46  -6.188  26.920  -7.428
  363    HB3  PRO  46           HB3      PRO  46  -5.392  26.478  -5.898
  364    HG2  PRO  46           HG2      PRO  46  -4.316  28.330  -7.622
  365    HG3  PRO  46           HG3      PRO  46  -3.288  27.229  -6.666
  366    HD2  PRO  46           HD2      PRO  46  -4.054  27.023  -9.574
  367    HD3  PRO  46           HD3      PRO  46  -2.502  26.653  -8.766
  368    H    GLY  47           H        GLY  47  -6.392  25.981  -9.482
  369    HA2  GLY  47           HA2      GLY  47  -7.868  24.029 -10.613
  370    HA3  GLY  47           HA3      GLY  47  -8.758  24.367  -9.108
  371    H    GLY  48           H        GLY  48  -8.523  27.014  -8.707
  372    HA2  GLY  48           HA2      GLY  48 -10.165  28.247 -10.742
  373    HA3  GLY  48           HA3      GLY  48  -9.493  29.019  -9.297
  374    H    SER  49           H        SER  49  -6.843  29.033  -9.502
  375    HA   SER  49           HA       SER  49  -6.189  30.805 -11.645
  376    HB2  SER  49           HB2      SER  49  -4.230  29.243  -9.932
  377    HB3  SER  49           HB3      SER  49  -4.007  30.839 -10.659
  378    HG   SER  49           HG       SER  49  -5.538  31.676  -9.199
  379    H    SER  50           H        SER  50  -4.700  30.456 -13.420
  380    HA   SER  50           HA       SER  50  -5.025  28.007 -14.819
  381    HB2  SER  50           HB2      SER  50  -2.898  30.128 -15.288
  382    HB3  SER  50           HB3      SER  50  -3.616  29.036 -16.484
  383    HG   SER  50           HG       SER  50  -5.580  30.151 -16.261
  384    H    GLN  51           H        GLN  51  -2.376  29.132 -12.676
  385    HA   GLN  51           HA       GLN  51  -1.583  26.492 -12.169
  386    HB2  GLN  51           HB2      GLN  51  -0.260  27.476 -14.429
  387    HB3  GLN  51           HB3      GLN  51   0.834  27.939 -13.127
  388    HG2  GLN  51           HG2      GLN  51   0.803  25.570 -12.307
  389    HG3  GLN  51           HG3      GLN  51  -0.289  25.141 -13.632
  390   HE21  GLN  51          HE21      GLN  51   2.459  24.054 -13.035
  391   HE22  GLN  51          HE22      GLN  51   3.386  24.384 -14.482
  392    H    ALA  52           H        ALA  52   0.055  26.552 -10.481
  393    HA   ALA  52           HA       ALA  52  -0.155  28.867  -8.681
  394    HB1  ALA  52           HB1      ALA  52   0.679  27.472  -7.031
  395    HB2  ALA  52           HB2      ALA  52  -0.087  26.256  -8.091
  396    HB3  ALA  52           HB3      ALA  52   1.672  26.544  -8.154
  397    H    THR  53           H        THR  53   2.252  29.349  -7.660
  398    HA   THR  53           HA       THR  53   3.950  30.068 -10.007
  399    HB   THR  53           HB       THR  53   4.217  32.286  -8.803
  400    HG1  THR  53           HG1      THR  53   3.289  31.785  -6.821
  401   HG21  THR  53          HG21      THR  53   2.862  31.880 -10.863
  402   HG22  THR  53          HG22      THR  53   1.450  31.530  -9.855
  403   HG23  THR  53          HG23      THR  53   2.184  33.152  -9.829
  404    H    LYS  54           H        LYS  54   5.248  28.297  -9.583
  405    HA   LYS  54           HA       LYS  54   7.165  27.327  -8.983
  406    HB2  LYS  54           HB2      LYS  54   7.780  29.988  -9.181
  407    HB3  LYS  54           HB3      LYS  54   8.296  29.649  -7.521
  408    HG2  LYS  54           HG2      LYS  54   9.660  27.712  -8.434
  409    HG3  LYS  54           HG3      LYS  54   9.111  28.135 -10.048
  410    HD2  LYS  54           HD2      LYS  54  11.321  29.001  -9.761
  411    HD3  LYS  54           HD3      LYS  54  10.202  30.374  -9.814
  412    HE2  LYS  54           HE2      LYS  54  10.280  30.531  -7.332
  413    HE3  LYS  54           HE3      LYS  54  11.351  29.121  -7.267
  414    HZ1  LYS  54           HZ1      LYS  54  13.001  30.412  -8.491
  415    HZ2  LYS  54           HZ2      LYS  54  12.006  31.717  -8.530
  416    HZ3  LYS  54           HZ3      LYS  54  12.592  31.171  -7.110
  417    H    GLU  55           H        GLU  55   8.849  27.131  -6.944
  418    HA   GLU  55           HA       GLU  55   7.355  26.007  -4.749
  419    HB2  GLU  55           HB2      GLU  55  10.299  26.782  -5.030
  420    HB3  GLU  55           HB3      GLU  55   9.589  26.011  -3.613
  421    HG2  GLU  55           HG2      GLU  55  10.726  24.351  -4.920
  422    HG3  GLU  55           HG3      GLU  55   9.006  24.023  -4.924
  423    H    ILE  56           H        ILE  56   6.058  27.391  -3.637
  424    HA   ILE  56           HA       ILE  56   6.772  30.204  -3.444
  425    HB   ILE  56           HB       ILE  56   4.481  28.929  -1.920
  426   HG12  ILE  56          HG12      ILE  56   4.608  29.764  -4.849
  427   HG13  ILE  56          HG13      ILE  56   4.201  28.171  -4.209
  428   HG21  ILE  56          HG21      ILE  56   4.944  31.712  -3.121
  429   HG22  ILE  56          HG22      ILE  56   3.546  31.219  -2.154
  430   HG23  ILE  56          HG23      ILE  56   5.134  31.296  -1.409
  431   HD11  ILE  56          HD11      ILE  56   2.180  29.040  -4.860
  432   HD12  ILE  56          HD12      ILE  56   2.174  29.337  -3.077
  433   HD13  ILE  56          HD13      ILE  56   2.528  30.664  -4.206
  434    H    LYS  57           H        LYS  57   7.754  31.174  -1.736
  435    HA   LYS  57           HA       LYS  57   8.994  29.510   0.357
  436    HB2  LYS  57           HB2      LYS  57   8.965  32.516  -0.204
  437    HB3  LYS  57           HB3      LYS  57   9.824  31.768   1.150
  438    HG2  LYS  57           HG2      LYS  57  11.151  30.397  -0.472
  439    HG3  LYS  57           HG3      LYS  57  10.410  31.286  -1.810
  440    HD2  LYS  57           HD2      LYS  57  12.087  32.509   0.434
  441    HD3  LYS  57           HD3      LYS  57  12.667  32.125  -1.197
  442    HE2  LYS  57           HE2      LYS  57  10.993  33.709  -2.157
  443    HE3  LYS  57           HE3      LYS  57  10.459  34.126  -0.523
  444    HZ1  LYS  57           HZ1      LYS  57  12.692  34.968  -0.081
  445    HZ2  LYS  57           HZ2      LYS  57  13.181  34.573  -1.592
  446    HZ3  LYS  57           HZ3      LYS  57  12.048  35.722  -1.377
  447    HA   PRO  58           HA       PRO  58   5.574  30.409   3.096
  448    HB2  PRO  58           HB2      PRO  58   7.711  30.726   5.208
  449    HB3  PRO  58           HB3      PRO  58   6.192  29.769   5.302
  450    HG2  PRO  58           HG2      PRO  58   8.608  28.579   4.950
  451    HG3  PRO  58           HG3      PRO  58   7.180  28.021   4.014
  452    HD2  PRO  58           HD2      PRO  58   9.363  29.949   3.162
  453    HD3  PRO  58           HD3      PRO  58   8.655  28.552   2.266
  454    H    GLN  59           H        GLN  59   4.625  32.291   3.162
  455    HA   GLN  59           HA       GLN  59   6.068  34.742   3.958
  456    HB2  GLN  59           HB2      GLN  59   4.463  34.365   1.385
  457    HB3  GLN  59           HB3      GLN  59   4.819  35.942   2.070
  458    HG2  GLN  59           HG2      GLN  59   6.954  33.964   1.167
  459    HG3  GLN  59           HG3      GLN  59   6.319  35.271   0.187
  460   HE21  GLN  59          HE21      GLN  59   8.314  34.504   3.042
  461   HE22  GLN  59          HE22      GLN  59   9.054  36.097   3.162
  462    H    LYS  60           H        LYS  60   4.624  36.305   4.770
  463    HA   LYS  60           HA       LYS  60   2.322  35.534   6.150
  464    HB2  LYS  60           HB2      LYS  60   3.672  37.871   6.016
  465    HB3  LYS  60           HB3      LYS  60   2.371  38.262   4.875
  466    HG2  LYS  60           HG2      LYS  60   0.691  37.760   6.645
  467    HG3  LYS  60           HG3      LYS  60   1.982  37.279   7.747
  468    HD2  LYS  60           HD2      LYS  60   1.252  39.497   8.321
  469    HD3  LYS  60           HD3      LYS  60   2.894  39.604   7.668
  470    HE2  LYS  60           HE2      LYS  60   1.982  40.337   5.482
  471    HE3  LYS  60           HE3      LYS  60   0.331  40.168   6.092
  472    HZ1  LYS  60           HZ1      LYS  60   0.838  41.922   7.705
  473    HZ2  LYS  60           HZ2      LYS  60   2.356  42.077   7.118
  474    HZ3  LYS  60           HZ3      LYS  60   1.075  42.452   6.183
  475    H    LEU  61           H        LEU  61   0.208  35.837   5.876
  476    HA   LEU  61           HA       LEU  61  -0.824  35.238   3.182
  477    HB2  LEU  61           HB2      LEU  61  -0.606  33.236   4.352
  478    HB3  LEU  61           HB3      LEU  61  -0.895  33.898   5.906
  479    HG   LEU  61           HG       LEU  61  -3.248  33.800   4.012
  480   HD11  LEU  61          HD11      LEU  61  -3.611  31.512   4.646
  481   HD12  LEU  61          HD12      LEU  61  -2.189  31.716   3.620
  482   HD13  LEU  61          HD13      LEU  61  -1.968  31.432   5.363
  483   HD21  LEU  61          HD21      LEU  61  -4.416  33.347   6.132
  484   HD22  LEU  61          HD22      LEU  61  -2.858  33.254   6.989
  485   HD23  LEU  61          HD23      LEU  61  -3.400  34.792   6.328
  486    H    GLY  62           H        GLY  62  -3.229  35.456   3.098
  487    HA2  GLY  62           HA2      GLY  62  -5.138  36.571   4.362
  488    HA3  GLY  62           HA3      GLY  62  -4.096  37.981   4.530
  489    H    GLU  63           H        GLU  63  -5.574  35.835   2.073
  490    HA   GLU  63           HA       GLU  63  -5.984  38.172   0.295
  491    HB2  GLU  63           HB2      GLU  63  -5.287  36.863  -1.656
  492    HB3  GLU  63           HB3      GLU  63  -3.981  37.193  -0.529
  493    HG2  GLU  63           HG2      GLU  63  -4.103  34.883   0.350
  494    HG3  GLU  63           HG3      GLU  63  -5.420  34.516  -0.765
  495    H    ASP  64           H        ASP  64  -7.793  37.363   2.030
  496    HA   ASP  64           HA       ASP  64  -9.859  36.562   2.437
  497    HB2  ASP  64           HB2      ASP  64 -10.527  37.910   0.509
  498    HB3  ASP  64           HB3      ASP  64 -10.261  36.538  -0.573
  499    H    GLU  65           H        GLU  65  -7.968  34.928   2.842
  500    HA   GLU  65           HA       GLU  65  -8.793  32.184   2.077
  501    HB2  GLU  65           HB2      GLU  65  -7.075  33.242   0.476
  502    HB3  GLU  65           HB3      GLU  65  -5.951  33.300   1.840
  503    HG2  GLU  65           HG2      GLU  65  -6.124  30.814   2.020
  504    HG3  GLU  65           HG3      GLU  65  -7.279  30.802   0.704
  505    H    SER  66           H        SER  66  -8.964  33.933   4.543
  506    HA   SER  66           HA       SER  66  -6.805  33.330   6.311
  507    HB2  SER  66           HB2      SER  66  -9.664  33.991   7.067
  508    HB3  SER  66           HB3      SER  66  -8.203  34.174   8.051
  509    HG   SER  66           HG       SER  66  -8.871  36.175   7.062
  510    H    ILE  67           H        ILE  67  -6.335  31.446   7.226
  511    HA   ILE  67           HA       ILE  67  -8.165  29.213   7.369
  512    HB   ILE  67           HB       ILE  67  -6.265  28.680   9.196
  513   HG12  ILE  67          HG12      ILE  67  -4.846  30.704   8.748
  514   HG13  ILE  67          HG13      ILE  67  -4.070  29.166   8.598
  515   HG21  ILE  67          HG21      ILE  67  -5.111  27.334   7.705
  516   HG22  ILE  67          HG22      ILE  67  -6.865  27.178   7.591
  517   HG23  ILE  67          HG23      ILE  67  -5.998  28.119   6.332
  518   HD11  ILE  67          HD11      ILE  67  -5.084  30.617   6.160
  519   HD12  ILE  67          HD12      ILE  67  -3.507  30.886   6.922
  520   HD13  ILE  67          HD13      ILE  67  -3.914  29.285   6.269
  521    HA   PRO  68           HA       PRO  68  -9.845  30.871  11.301
  522    HB2  PRO  68           HB2      PRO  68 -11.552  28.839  11.977
  523    HB3  PRO  68           HB3      PRO  68 -11.923  30.048  10.714
  524    HG2  PRO  68           HG2      PRO  68 -10.841  27.244  10.351
  525    HG3  PRO  68           HG3      PRO  68 -12.155  28.056   9.443
  526    HD2  PRO  68           HD2      PRO  68  -9.571  27.914   8.511
  527    HD3  PRO  68           HD3      PRO  68 -10.634  29.300   8.160
  528    H    GLU  69           H        GLU  69  -9.311  30.498  13.464
  529    HA   GLU  69           HA       GLU  69  -7.001  29.167  14.104
  530    HB2  GLU  69           HB2      GLU  69  -9.207  29.731  16.101
  531    HB3  GLU  69           HB3      GLU  69  -7.471  29.532  16.390
  532    HG2  GLU  69           HG2      GLU  69  -7.538  31.793  16.430
  533    HG3  GLU  69           HG3      GLU  69  -7.270  31.583  14.697
  534    H    GLU  70           H        GLU  70 -10.189  27.850  13.927
  535    HA   GLU  70           HA       GLU  70 -10.129  25.547  15.502
  536    HB2  GLU  70           HB2      GLU  70 -12.055  26.613  14.162
  537    HB3  GLU  70           HB3      GLU  70 -11.382  25.830  12.734
  538    HG2  GLU  70           HG2      GLU  70 -13.156  24.458  13.531
  539    HG3  GLU  70           HG3      GLU  70 -11.669  23.595  13.890
  540    H    ILE  71           H        ILE  71  -8.744  26.066  12.235
  541    HA   ILE  71           HA       ILE  71  -7.856  23.212  12.214
  542    HB   ILE  71           HB       ILE  71  -7.584  23.443   9.820
  543   HG12  ILE  71          HG12      ILE  71  -8.898  26.178  10.033
  544   HG13  ILE  71          HG13      ILE  71  -7.238  25.892   9.542
  545   HG21  ILE  71          HG21      ILE  71 -10.372  24.313  10.625
  546   HG22  ILE  71          HG22      ILE  71  -9.899  23.236   9.304
  547   HG23  ILE  71          HG23      ILE  71  -9.713  22.684  10.971
  548   HD11  ILE  71          HD11      ILE  71  -8.686  26.238   7.536
  549   HD12  ILE  71          HD12      ILE  71  -8.081  24.572   7.562
  550   HD13  ILE  71          HD13      ILE  71  -9.756  24.977   8.042
  551    H    ILE  72           H        ILE  72  -6.665  26.470  12.398
  552    HA   ILE  72           HA       ILE  72  -4.279  26.460  11.124
  553    HB   ILE  72           HB       ILE  72  -5.658  27.850  13.329
  554   HG12  ILE  72          HG12      ILE  72  -4.259  28.431  10.730
  555   HG13  ILE  72          HG13      ILE  72  -5.984  28.329  11.139
  556   HG21  ILE  72          HG21      ILE  72  -3.982  29.364  14.024
  557   HG22  ILE  72          HG22      ILE  72  -3.643  27.730  14.556
  558   HG23  ILE  72          HG23      ILE  72  -2.710  28.416  13.181
  559   HD11  ILE  72          HD11      ILE  72  -5.721  30.351  12.480
  560   HD12  ILE  72          HD12      ILE  72  -4.014  30.424  11.890
  561   HD13  ILE  72          HD13      ILE  72  -5.360  30.524  10.733
  562    H    ASN  73           H        ASN  73  -4.919  25.175  14.218
  563    HA   ASN  73           HA       ASN  73  -2.277  24.925  15.285
  564    HB2  ASN  73           HB2      ASN  73  -3.505  23.626  16.982
  565    HB3  ASN  73           HB3      ASN  73  -4.292  25.176  16.602
  566   HD21  ASN  73          HD21      ASN  73  -6.447  25.170  15.745
  567   HD22  ASN  73          HD22      ASN  73  -7.276  23.714  15.299
  568    H    GLY  74           H        GLY  74  -3.464  23.429  12.703
  569    HA2  GLY  74           HA2      GLY  74  -1.662  21.112  12.986
  570    HA3  GLY  74           HA3      GLY  74  -3.310  20.797  12.402
  571    H    LYS  75           H        LYS  75  -1.373  20.276  10.727
  572    HA   LYS  75           HA       LYS  75  -0.697  22.415   8.903
  573    HB2  LYS  75           HB2      LYS  75  -1.066  19.447   8.346
  574    HB3  LYS  75           HB3      LYS  75  -0.541  20.652   7.148
  575    HG2  LYS  75           HG2      LYS  75   1.376  21.205   8.659
  576    HG3  LYS  75           HG3      LYS  75   0.904  19.787   9.639
  577    HD2  LYS  75           HD2      LYS  75   2.616  18.942   8.283
  578    HD3  LYS  75           HD3      LYS  75   1.158  18.461   7.427
  579    HE2  LYS  75           HE2      LYS  75   2.185  19.419   5.616
  580    HE3  LYS  75           HE3      LYS  75   1.577  20.928   6.293
  581    HZ1  LYS  75           HZ1      LYS  75   3.901  21.174   5.880
  582    HZ2  LYS  75           HZ2      LYS  75   3.763  21.051   7.514
  583    HZ3  LYS  75           HZ3      LYS  75   4.288  19.781   6.642
  584    H    CYS  76           H        CYS  76  -1.846  23.148   7.109
  585    HA   CYS  76           HA       CYS  76  -4.713  22.347   7.050
  586    HB2  CYS  76           HB2      CYS  76  -3.762  25.229   6.864
  587    HB3  CYS  76           HB3      CYS  76  -5.389  24.645   6.562
  588    HG   CYS  76           HG       CYS  76  -3.672  24.102   9.356
  589    H    PHE  77           H        PHE  77  -5.376  21.850   5.119
  590    HA   PHE  77           HA       PHE  77  -3.382  22.044   2.917
  591    HB2  PHE  77           HB2      PHE  77  -5.580  20.010   3.501
  592    HB3  PHE  77           HB3      PHE  77  -4.466  19.997   2.129
  593    HD1  PHE  77           HD1      PHE  77  -2.009  20.035   2.635
  594    HD2  PHE  77           HD2      PHE  77  -4.882  19.181   5.649
  595    HE1  PHE  77           HE1      PHE  77  -0.121  19.393   4.208
  596    HE2  PHE  77           HE2      PHE  77  -3.061  18.387   7.152
  597    HZ   PHE  77           HZ       PHE  77  -0.721  18.313   6.353
  598    H    PHE  78           H        PHE  78  -3.914  23.746   1.767
  599    HA   PHE  78           HA       PHE  78  -6.623  24.650   1.147
  600    HB2  PHE  78           HB2      PHE  78  -4.513  26.081   1.074
  601    HB3  PHE  78           HB3      PHE  78  -4.057  25.155  -0.352
  602    HD1  PHE  78           HD1      PHE  78  -6.807  27.254   1.076
  603    HD2  PHE  78           HD2      PHE  78  -4.812  25.879  -2.494
  604    HE1  PHE  78           HE1      PHE  78  -8.168  28.818  -0.297
  605    HE2  PHE  78           HE2      PHE  78  -6.134  27.492  -3.843
  606    HZ   PHE  78           HZ       PHE  78  -7.780  28.987  -2.744
  607    H    ILE  79           H        ILE  79  -7.866  23.274   0.087
  608    HA   ILE  79           HA       ILE  79  -6.625  21.428  -1.872
  609    HB   ILE  79           HB       ILE  79  -8.544  19.903  -1.145
  610   HG12  ILE  79          HG12      ILE  79  -8.685  21.584   1.349
  611   HG13  ILE  79          HG13      ILE  79  -9.709  21.960  -0.020
  612   HG21  ILE  79          HG21      ILE  79  -6.058  20.502   0.401
  613   HG22  ILE  79          HG22      ILE  79  -7.284  19.650   1.288
  614   HG23  ILE  79          HG23      ILE  79  -6.703  18.973  -0.234
  615   HD11  ILE  79          HD11      ILE  79 -10.947  20.809   1.530
  616   HD12  ILE  79          HD12      ILE  79 -10.801  19.851   0.052
  617   HD13  ILE  79          HD13      ILE  79  -9.847  19.392   1.503
  618    H    HIS  80           H        HIS  80  -7.723  20.958  -3.769
  619    HA   HIS  80           HA       HIS  80 -10.016  22.748  -4.397
  620    HB2  HIS  80           HB2      HIS  80  -8.278  22.141  -6.118
  621    HB3  HIS  80           HB3      HIS  80  -8.950  20.497  -6.090
  622    HD2  HIS  80           HD2      HIS  80  -9.797  24.094  -7.132
  623    HE1  HIS  80           HE1      HIS  80 -12.890  21.623  -8.715
  624    HE2  HIS  80           HE2      HIS  80 -11.912  23.974  -8.714
  625    H    TYR  81           H        TYR  81 -11.957  22.098  -3.725
  626    HA   TYR  81           HA       TYR  81 -12.444  19.321  -2.869
  627    HB2  TYR  81           HB2      TYR  81 -14.054  21.833  -2.691
  628    HB3  TYR  81           HB3      TYR  81 -14.885  20.288  -2.747
  629    HD1  TYR  81           HD1      TYR  81 -14.125  18.407  -1.102
  630    HD2  TYR  81           HD2      TYR  81 -13.365  22.617  -0.501
  631    HE1  TYR  81           HE1      TYR  81 -14.168  18.055   1.317
  632    HE2  TYR  81           HE2      TYR  81 -13.418  22.266   1.949
  633    HH   TYR  81           HH       TYR  81 -14.075  19.048   3.420
  634    H    GLN  82           H        GLN  82 -12.691  17.917  -4.454
  635    HA   GLN  82           HA       GLN  82 -13.323  18.776  -7.173
  636    HB2  GLN  82           HB2      GLN  82 -12.851  15.955  -6.137
  637    HB3  GLN  82           HB3      GLN  82 -12.787  16.519  -7.813
  638    HG2  GLN  82           HG2      GLN  82 -10.888  18.092  -7.085
  639    HG3  GLN  82           HG3      GLN  82 -10.919  17.246  -5.528
  640   HE21  GLN  82          HE21      GLN  82  -9.481  15.694  -5.317
  641   HE22  GLN  82          HE22      GLN  82  -8.789  14.757  -6.625
  642    H    GLY  83           H        GLY  83 -15.018  17.796  -8.448
  643    HA2  GLY  83           HA2      GLY  83 -17.241  17.262  -8.805
  644    HA3  GLY  83           HA3      GLY  83 -17.359  16.637  -7.148
  645    H    TRP  84           H        TRP  84 -15.999  19.783  -6.974
  646    HA   TRP  84           HA       TRP  84 -18.676  21.068  -6.837
  647    HB2  TRP  84           HB2      TRP  84 -16.605  21.122  -4.595
  648    HB3  TRP  84           HB3      TRP  84 -18.118  22.041  -4.666
  649    HD1  TRP  84           HD1      TRP  84 -16.865  18.872  -3.305
  650    HE1  TRP  84           HE1      TRP  84 -18.848  17.582  -2.295
  651    HE3  TRP  84           HE3      TRP  84 -20.653  21.386  -5.575
  652    HZ2  TRP  84           HZ2      TRP  84 -21.695  17.828  -2.280
  653    HZ3  TRP  84           HZ3      TRP  84 -23.040  20.870  -5.021
  654    HH2  TRP  84           HH2      TRP  84 -23.577  19.099  -3.352
  655    H    LYS  85           H        LYS  85 -18.430  23.451  -6.482
  656    HA   LYS  85           HA       LYS  85 -17.099  24.477  -8.780
  657    HB2  LYS  85           HB2      LYS  85 -18.086  25.965  -6.289
  658    HB3  LYS  85           HB3      LYS  85 -17.715  26.702  -7.836
  659    HG2  LYS  85           HG2      LYS  85 -19.985  24.753  -7.247
  660    HG3  LYS  85           HG3      LYS  85 -20.124  26.483  -7.528
  661    HD2  LYS  85           HD2      LYS  85 -19.255  24.409  -9.594
  662    HD3  LYS  85           HD3      LYS  85 -20.840  25.177  -9.479
  663    HE2  LYS  85           HE2      LYS  85 -19.783  27.407  -9.854
  664    HE3  LYS  85           HE3      LYS  85 -18.208  26.614 -10.037
  665    HZ1  LYS  85           HZ1      LYS  85 -20.561  26.191 -11.790
  666    HZ2  LYS  85           HZ2      LYS  85 -19.237  27.052 -12.174
  667    HZ3  LYS  85           HZ3      LYS  85 -19.122  25.437 -11.964
  668    H    SER  86           H        SER  86 -15.079  25.408  -9.034
  669    HA   SER  86           HA       SER  86 -13.041  25.110  -7.176
  670    HB2  SER  86           HB2      SER  86 -13.257  27.246  -9.339
  671    HB3  SER  86           HB3      SER  86 -11.754  26.620  -8.622
  672    HG   SER  86           HG       SER  86 -12.420  25.657 -10.689
  673    H    SER  87           H        SER  87 -15.610  27.459  -6.926
  674    HA   SER  87           HA       SER  87 -14.366  29.453  -5.368
  675    HB2  SER  87           HB2      SER  87 -17.130  28.291  -4.880
  676    HB3  SER  87           HB3      SER  87 -16.579  29.958  -4.642
  677    HG   SER  87           HG       SER  87 -17.763  29.814  -6.556
  678    H    TRP  88           H        TRP  88 -15.051  26.066  -4.677
  679    HA   TRP  88           HA       TRP  88 -14.692  26.277  -1.794
  680    HB2  TRP  88           HB2      TRP  88 -14.947  23.895  -3.675
  681    HB3  TRP  88           HB3      TRP  88 -14.810  23.811  -1.938
  682    HD1  TRP  88           HD1      TRP  88 -17.348  26.242  -3.510
  683    HE1  TRP  88           HE1      TRP  88 -19.634  25.533  -2.680
  684    HE3  TRP  88           HE3      TRP  88 -15.990  21.991  -1.091
  685    HZ2  TRP  88           HZ2      TRP  88 -20.831  23.128  -1.447
  686    HZ3  TRP  88           HZ3      TRP  88 -17.719  20.413  -0.210
  687    HH2  TRP  88           HH2      TRP  88 -20.137  20.980  -0.387
  688    H    ASP  89           H        ASP  89 -12.381  26.930  -3.958
  689    HA   ASP  89           HA       ASP  89 -10.297  25.043  -3.175
  690    HB2  ASP  89           HB2      ASP  89 -10.348  27.716  -4.587
  691    HB3  ASP  89           HB3      ASP  89  -8.866  27.153  -3.837
  692    H    GLU  90           H        GLU  90 -10.440  24.806  -0.956
  693    HA   GLU  90           HA       GLU  90 -10.109  27.186   0.807
  694    HB2  GLU  90           HB2      GLU  90 -12.498  26.419   0.514
  695    HB3  GLU  90           HB3      GLU  90 -12.003  24.785   1.009
  696    HG2  GLU  90           HG2      GLU  90 -11.891  25.301   3.211
  697    HG3  GLU  90           HG3      GLU  90 -11.358  26.949   2.951
  698    H    TRP  91           H        TRP  91  -8.833  26.730   2.728
  699    HA   TRP  91           HA       TRP  91  -7.617  24.129   2.788
  700    HB2  TRP  91           HB2      TRP  91  -7.246  25.497   5.306
  701    HB3  TRP  91           HB3      TRP  91  -6.095  24.797   4.195
  702    HD1  TRP  91           HD1      TRP  91  -8.246  27.989   4.438
  703    HE1  TRP  91           HE1      TRP  91  -6.704  30.000   4.139
  704    HE3  TRP  91           HE3      TRP  91  -3.751  25.623   3.606
  705    HZ2  TRP  91           HZ2      TRP  91  -4.156  30.518   2.872
  706    HZ3  TRP  91           HZ3      TRP  91  -1.761  26.954   2.960
  707    HH2  TRP  91           HH2      TRP  91  -1.989  29.440   2.536
  708    H    VAL  92           H        VAL  92  -7.702  22.542   4.251
  709    HA   VAL  92           HA       VAL  92  -9.746  22.716   6.430
  710    HB   VAL  92           HB       VAL  92 -10.126  20.235   6.097
  711   HG11  VAL  92          HG11      VAL  92 -10.953  21.961   3.745
  712   HG12  VAL  92          HG12      VAL  92 -11.679  20.435   4.291
  713   HG13  VAL  92          HG13      VAL  92 -11.796  21.876   5.320
  714   HG21  VAL  92          HG21      VAL  92  -8.863  20.685   3.381
  715   HG22  VAL  92          HG22      VAL  92  -8.195  19.730   4.700
  716   HG23  VAL  92          HG23      VAL  92  -9.737  19.243   3.944
  717    H    GLY  93           H        GLY  93  -9.229  21.407   8.281
  718    HA2  GLY  93           HA2      GLY  93  -6.327  21.039   8.700
  719    HA3  GLY  93           HA3      GLY  93  -7.604  20.966   9.927
  720    H    TYR  94           H        TYR  94  -5.707  19.016   9.789
  721    HA   TYR  94           HA       TYR  94  -6.423  16.669   8.375
  722    HB2  TYR  94           HB2      TYR  94  -4.451  17.535  10.146
  723    HB3  TYR  94           HB3      TYR  94  -5.226  16.197  11.012
  724    HD1  TYR  94           HD1      TYR  94  -5.805  14.140   9.328
  725    HD2  TYR  94           HD2      TYR  94  -2.729  17.082   8.770
  726    HE1  TYR  94           HE1      TYR  94  -4.808  12.727   7.562
  727    HE2  TYR  94           HE2      TYR  94  -1.793  15.735   6.894
  728    HH   TYR  94           HH       TYR  94  -3.016  12.430   6.106
  729    H    ASP  95           H        ASP  95  -7.825  18.149  11.132
  730    HA   ASP  95           HA       ASP  95  -9.272  15.986  12.260
  731    HB2  ASP  95           HB2      ASP  95 -10.558  17.559  13.393
  732    HB3  ASP  95           HB3      ASP  95  -9.020  18.382  13.182
  733    H    ARG  96           H        ARG  96  -9.672  17.644   9.192
  734    HA   ARG  96           HA       ARG  96 -12.192  16.083   8.740
  735    HB2  ARG  96           HB2      ARG  96 -11.240  18.565   7.254
  736    HB3  ARG  96           HB3      ARG  96 -12.709  17.651   6.938
  737    HG2  ARG  96           HG2      ARG  96 -12.105  19.437   9.312
  738    HG3  ARG  96           HG3      ARG  96 -13.373  19.592   8.091
  739    HD2  ARG  96           HD2      ARG  96 -14.299  17.350   9.016
  740    HD3  ARG  96           HD3      ARG  96 -13.190  17.579  10.353
  741    HE   ARG  96           HE       ARG  96 -14.330  19.478  11.091
  742   HH11  ARG  96          HH11      ARG  96 -15.975  17.942   8.339
  743   HH12  ARG  96          HH12      ARG  96 -17.564  18.481   8.798
  744   HH21  ARG  96          HH21      ARG  96 -16.421  20.320  11.627
  745   HH22  ARG  96          HH22      ARG  96 -17.795  19.945  10.652
  746    H    ILE  97           H        ILE  97  -8.946  16.914   7.292
  747    HA   ILE  97           HA       ILE  97  -9.705  15.140   5.099
  748    HB   ILE  97           HB       ILE  97  -8.924  17.450   4.835
  749   HG12  ILE  97          HG12      ILE  97  -7.299  15.395   3.280
  750   HG13  ILE  97          HG13      ILE  97  -8.929  15.953   2.892
  751   HG21  ILE  97          HG21      ILE  97  -6.043  16.554   4.992
  752   HG22  ILE  97          HG22      ILE  97  -6.815  18.166   4.937
  753   HG23  ILE  97          HG23      ILE  97  -6.878  17.221   6.436
  754   HD11  ILE  97          HD11      ILE  97  -7.577  17.243   1.502
  755   HD12  ILE  97          HD12      ILE  97  -7.906  18.299   2.862
  756   HD13  ILE  97          HD13      ILE  97  -6.335  17.479   2.741
  757    H    ARG  98           H        ARG  98  -8.453  13.619   4.188
  758    HA   ARG  98           HA       ARG  98  -5.942  12.705   5.507
  759    HB2  ARG  98           HB2      ARG  98  -8.211  10.929   4.681
  760    HB3  ARG  98           HB3      ARG  98  -6.512  10.438   4.982
  761    HG2  ARG  98           HG2      ARG  98  -6.695  11.176   7.336
  762    HG3  ARG  98           HG3      ARG  98  -8.397  11.678   7.070
  763    HD2  ARG  98           HD2      ARG  98  -9.006   9.459   6.381
  764    HD3  ARG  98           HD3      ARG  98  -7.297   8.956   6.396
  765    HE   ARG  98           HE       ARG  98  -8.052   9.754   9.017
  766   HH11  ARG  98          HH11      ARG  98  -8.749   7.180   6.643
  767   HH12  ARG  98          HH12      ARG  98  -8.547   5.879   7.792
  768   HH21  ARG  98          HH21      ARG  98  -8.087   8.003  10.595
  769   HH22  ARG  98          HH22      ARG  98  -8.372   6.379  10.067
  770    H    ALA  99           H        ALA  99  -4.601  11.548   3.851
  771    HA   ALA  99           HA       ALA  99  -4.826  12.666   1.185
  772    HB1  ALA  99           HB1      ALA  99  -3.103  10.398   2.153
  773    HB2  ALA  99           HB2      ALA  99  -2.764  11.585   0.788
  774    HB3  ALA  99           HB3      ALA  99  -2.750  12.103   2.483
  775    H    TYR 100           H        TYR 100  -4.512  11.121  -0.729
  776    HA   TYR 100           HA       TYR 100  -6.798   9.444  -0.863
  777    HB2  TYR 100           HB2      TYR 100  -5.128  10.592  -2.727
  778    HB3  TYR 100           HB3      TYR 100  -4.761   8.906  -2.906
  779    HD1  TYR 100           HD1      TYR 100  -7.876  11.009  -2.417
  780    HD2  TYR 100           HD2      TYR 100  -6.045   7.676  -4.451
  781    HE1  TYR 100           HE1      TYR 100  -9.941  10.687  -3.727
  782    HE2  TYR 100           HE2      TYR 100  -8.110   7.349  -5.784
  783    HH   TYR 100           HH       TYR 100 -10.914   9.594  -5.555
  784    H    ASN 101           H        ASN 101  -7.078   7.376  -0.285
  785    HA   ASN 101           HA       ASN 101  -5.206   5.339  -0.948
  786    HB2  ASN 101           HB2      ASN 101  -4.745   4.395   1.262
  787    HB3  ASN 101           HB3      ASN 101  -4.053   5.999   1.131
  788   HD21  ASN 101          HD21      ASN 101  -4.650   7.530   2.612
  789   HD22  ASN 101          HD22      ASN 101  -5.854   7.254   3.853
  790    H    GLU 102           H        GLU 102  -5.983   3.175  -0.253
  791    HA   GLU 102           HA       GLU 102  -8.616   2.930  -1.177
  792    HB2  GLU 102           HB2      GLU 102  -6.803   0.905   0.216
  793    HB3  GLU 102           HB3      GLU 102  -8.289   0.488  -0.649
  794    HG2  GLU 102           HG2      GLU 102  -7.325   1.502  -2.742
  795    HG3  GLU 102           HG3      GLU 102  -5.799   1.740  -1.887
  796    H    GLU 103           H        GLU 103  -7.432   3.100   2.165
  797    HA   GLU 103           HA       GLU 103  -9.831   1.964   3.370
  798    HB2  GLU 103           HB2      GLU 103  -8.090   1.776   4.783
  799    HB3  GLU 103           HB3      GLU 103  -7.287   3.252   4.278
  800    HG2  GLU 103           HG2      GLU 103  -8.722   4.654   5.549
  801    HG3  GLU 103           HG3      GLU 103  -9.855   3.329   5.900
  802    H    ASN 104           H        ASN 104  -8.678   5.197   2.369
  803    HA   ASN 104           HA       ASN 104 -11.042   6.575   3.440
  804    HB2  ASN 104           HB2      ASN 104  -8.967   7.547   1.544
  805    HB3  ASN 104           HB3      ASN 104 -10.317   8.464   2.270
  806   HD21  ASN 104          HD21      ASN 104  -7.342   8.855   2.598
  807   HD22  ASN 104          HD22      ASN 104  -7.130   8.818   4.330
  808    H    ILE 105           H        ILE 105 -10.198   4.925   0.361
  809    HA   ILE 105           HA       ILE 105 -12.606   5.891  -0.862
  810    HB   ILE 105           HB       ILE 105 -10.600   3.732  -1.409
  811   HG12  ILE 105          HG12      ILE 105  -9.395   5.455  -2.209
  812   HG13  ILE 105          HG13      ILE 105 -10.588   5.626  -3.490
  813   HG21  ILE 105          HG21      ILE 105 -12.586   2.948  -2.381
  814   HG22  ILE 105          HG22      ILE 105 -12.946   4.537  -3.104
  815   HG23  ILE 105          HG23      ILE 105 -11.558   3.564  -3.680
  816   HD11  ILE 105          HD11      ILE 105 -10.507   7.304  -0.939
  817   HD12  ILE 105          HD12      ILE 105  -9.978   7.769  -2.532
  818   HD13  ILE 105          HD13      ILE 105 -11.706   7.464  -2.239
  819    H    ALA 106           H        ALA 106 -11.801   3.128   1.232
  820    HA   ALA 106           HA       ALA 106 -14.273   1.747   0.799
  821    HB1  ALA 106           HB1      ALA 106 -13.706   0.571   2.833
  822    HB2  ALA 106           HB2      ALA 106 -12.234   0.831   1.863
  823    HB3  ALA 106           HB3      ALA 106 -12.540   1.830   3.296
  824    H    MET 107           H        MET 107 -13.219   4.363   3.015
  825    HA   MET 107           HA       MET 107 -15.825   4.805   4.143
  826    HB2  MET 107           HB2      MET 107 -14.818   6.309   5.430
  827    HB3  MET 107           HB3      MET 107 -13.318   5.796   4.682
  828    HG2  MET 107           HG2      MET 107 -13.912   7.752   2.977
  829    HG3  MET 107           HG3      MET 107 -14.943   8.278   4.295
  830    HE1  MET 107           HE1      MET 107 -12.664   9.767   2.865
  831    HE2  MET 107           HE2      MET 107 -13.645  10.468   4.201
  832    HE3  MET 107           HE3      MET 107 -11.862  10.667   4.201
  833    H    LYS 108           H        LYS 108 -14.243   6.293   1.220
  834    HA   LYS 108           HA       LYS 108 -16.331   8.005   0.542
  835    HB2  LYS 108           HB2      LYS 108 -14.192   8.006  -0.719
  836    HB3  LYS 108           HB3      LYS 108 -14.523   6.400  -1.317
  837    HG2  LYS 108           HG2      LYS 108 -14.872   7.987  -3.071
  838    HG3  LYS 108           HG3      LYS 108 -16.310   7.078  -2.710
  839    HD2  LYS 108           HD2      LYS 108 -17.454   9.020  -2.698
  840    HD3  LYS 108           HD3      LYS 108 -16.693   9.407  -1.171
  841    HE2  LYS 108           HE2      LYS 108 -16.176  11.262  -2.497
  842    HE3  LYS 108           HE3      LYS 108 -14.688  10.264  -2.595
  843    HZ1  LYS 108           HZ1      LYS 108 -15.162  10.908  -4.804
  844    HZ2  LYS 108           HZ2      LYS 108 -15.671   9.366  -4.723
  845    HZ3  LYS 108           HZ3      LYS 108 -16.775  10.573  -4.671
  846    H    LYS 109           H        LYS 109 -15.824   4.677  -0.821
  847    HA   LYS 109           HA       LYS 109 -18.243   4.664  -2.239
  848    HB2  LYS 109           HB2      LYS 109 -17.854   2.370  -2.672
  849    HB3  LYS 109           HB3      LYS 109 -16.282   3.183  -2.618
  850    HG2  LYS 109           HG2      LYS 109 -16.189   2.359  -0.147
  851    HG3  LYS 109           HG3      LYS 109 -17.495   1.266  -0.590
  852    HD2  LYS 109           HD2      LYS 109 -14.671   1.380  -1.739
  853    HD3  LYS 109           HD3      LYS 109 -15.393   0.092  -0.750
  854    HE2  LYS 109           HE2      LYS 109 -17.159  -0.129  -2.571
  855    HE3  LYS 109           HE3      LYS 109 -16.149   0.946  -3.562
  856    HZ1  LYS 109           HZ1      LYS 109 -15.693  -1.372  -4.065
  857    HZ2  LYS 109           HZ2      LYS 109 -14.362  -0.689  -3.411
  858    HZ3  LYS 109           HZ3      LYS 109 -15.293  -1.696  -2.511
  859    H    ARG 110           H        ARG 110 -17.636   3.306   1.049
  860    HA   ARG 110           HA       ARG 110 -20.267   2.421   1.544
  861    HB2  ARG 110           HB2      ARG 110 -18.278   2.007   2.961
  862    HB3  ARG 110           HB3      ARG 110 -18.305   3.672   3.540
  863    HG2  ARG 110           HG2      ARG 110 -20.658   1.760   3.905
  864    HG3  ARG 110           HG3      ARG 110 -19.275   1.779   5.002
  865    HD2  ARG 110           HD2      ARG 110 -19.681   4.164   5.522
  866    HD3  ARG 110           HD3      ARG 110 -21.144   4.132   4.509
  867    HE   ARG 110           HE       ARG 110 -21.332   2.008   6.353
  868   HH11  ARG 110          HH11      ARG 110 -21.357   5.558   6.408
  869   HH12  ARG 110          HH12      ARG 110 -22.337   5.665   7.826
  870   HH21  ARG 110          HH21      ARG 110 -22.626   2.151   8.242
  871   HH22  ARG 110          HH22      ARG 110 -23.072   3.688   8.884
  872    H    LEU 111           H        LEU 111 -18.903   5.721   2.093
  873    HA   LEU 111           HA       LEU 111 -21.284   6.940   3.090
  874    HB2  LEU 111           HB2      LEU 111 -18.819   7.870   1.578
  875    HB3  LEU 111           HB3      LEU 111 -20.093   8.982   1.887
  876    HG   LEU 111           HG       LEU 111 -18.610   7.467   4.053
  877   HD11  LEU 111          HD11      LEU 111 -17.105   9.212   4.192
  878   HD12  LEU 111          HD12      LEU 111 -17.437   9.292   2.478
  879   HD13  LEU 111          HD13      LEU 111 -18.263  10.411   3.592
  880   HD21  LEU 111          HD21      LEU 111 -20.747   8.048   4.907
  881   HD22  LEU 111          HD22      LEU 111 -19.664   9.309   5.501
  882   HD23  LEU 111          HD23      LEU 111 -20.755   9.618   4.116
  883    H    ALA 112           H        ALA 112 -19.970   6.849  -0.211
  884    HA   ALA 112           HA       ALA 112 -22.076   8.206  -1.466
  885    HB1  ALA 112           HB1      ALA 112 -20.249   6.065  -2.633
  886    HB2  ALA 112           HB2      ALA 112 -21.187   7.259  -3.563
  887    HB3  ALA 112           HB3      ALA 112 -19.889   7.806  -2.484
  888    H    ASN 113           H        ASN 113 -22.264   4.970  -0.161
  889    HA   ASN 113           HA       ASN 113 -24.495   4.149  -1.826
  890    HB2  ASN 113           HB2      ASN 113 -24.283   2.228  -0.780
  891    HB3  ASN 113           HB3      ASN 113 -22.944   2.866   0.140
  892   HD21  ASN 113          HD21      ASN 113 -23.442   3.778   2.322
  893   HD22  ASN 113          HD22      ASN 113 -24.863   3.214   3.184
  894    H    LEU 114           H        LEU 114 -24.195   6.320   0.944
  895    HA   LEU 114           HA       LEU 114 -27.030   6.389   1.588
  896    HB2  LEU 114           HB2      LEU 114 -25.298   6.864   3.272
  897    HB3  LEU 114           HB3      LEU 114 -24.687   8.193   2.285
  898    HG   LEU 114           HG       LEU 114 -26.755   9.455   2.559
  899   HD11  LEU 114          HD11      LEU 114 -27.540   7.194   4.461
  900   HD12  LEU 114          HD12      LEU 114 -28.381   8.755   4.326
  901   HD13  LEU 114          HD13      LEU 114 -28.373   7.640   2.951
  902   HD21  LEU 114          HD21      LEU 114 -25.420   8.552   5.130
  903   HD22  LEU 114          HD22      LEU 114 -24.824   9.792   4.004
  904   HD23  LEU 114          HD23      LEU 114 -26.337  10.058   4.899
  905    H    GLU 115           H        GLU 115 -24.705   8.382  -0.195
  906    HA   GLU 115           HA       GLU 115 -26.173  10.607  -0.888
  907    HB2  GLU 115           HB2      GLU 115 -23.765  10.215  -1.409
  908    HB3  GLU 115           HB3      GLU 115 -24.235   9.120  -2.716
  909    HG2  GLU 115           HG2      GLU 115 -25.409  10.975  -3.866
  910    HG3  GLU 115           HG3      GLU 115 -25.013  12.062  -2.536
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   2.938   2.285  -0.193
    2    H2   MET   1           H2       MET   1   3.044   0.738  -0.759
    3    H3   MET   1           H3       MET   1   1.614   1.571  -0.816
    4    HA   MET   1           HA       MET   1   1.613  -0.069   0.956
    5    HB2  MET   1           HB2      MET   1   3.890   1.674   2.011
    6    HB3  MET   1           HB3      MET   1   2.936   0.581   3.011
    7    HG2  MET   1           HG2      MET   1   4.931  -0.551   2.466
    8    HG3  MET   1           HG3      MET   1   3.622  -1.330   1.582
    9    HE1  MET   1           HE1      MET   1   5.411  -2.660   0.176
   10    HE2  MET   1           HE2      MET   1   6.765  -1.903  -0.696
   11    HE3  MET   1           HE3      MET   1   6.714  -1.854   1.079
   12    H    VAL   2           H        VAL   2  -0.167   0.348   2.219
   13    HA   VAL   2           HA       VAL   2  -1.585   2.673   1.750
   14    HB   VAL   2           HB       VAL   2  -1.967   0.767   4.099
   15   HG11  VAL   2          HG11      VAL   2  -3.985   2.487   2.584
   16   HG12  VAL   2          HG12      VAL   2  -4.357   1.346   3.894
   17   HG13  VAL   2          HG13      VAL   2  -3.400   2.793   4.235
   18   HG21  VAL   2          HG21      VAL   2  -2.944   0.558   1.215
   19   HG22  VAL   2          HG22      VAL   2  -1.850  -0.567   2.047
   20   HG23  VAL   2          HG23      VAL   2  -3.530  -0.446   2.555
   21    H    ASP   3           H        ASP   3   0.410   1.923   4.654
   22    HA   ASP   3           HA       ASP   3  -0.334   4.182   6.176
   23    HB2  ASP   3           HB2      ASP   3   0.829   2.254   7.117
   24    HB3  ASP   3           HB3      ASP   3   2.254   2.587   6.135
   25    H    LEU   4           H        LEU   4   2.077   3.871   3.589
   26    HA   LEU   4           HA       LEU   4   3.274   6.506   4.070
   27    HB2  LEU   4           HB2      LEU   4   4.567   4.642   3.163
   28    HB3  LEU   4           HB3      LEU   4   3.528   4.533   1.747
   29    HG   LEU   4           HG       LEU   4   4.945   7.146   2.351
   30   HD11  LEU   4          HD11      LEU   4   6.900   6.363   1.059
   31   HD12  LEU   4          HD12      LEU   4   6.687   5.409   2.529
   32   HD13  LEU   4          HD13      LEU   4   6.192   4.733   0.962
   33   HD21  LEU   4          HD21      LEU   4   4.173   5.732  -0.257
   34   HD22  LEU   4          HD22      LEU   4   3.384   7.167   0.427
   35   HD23  LEU   4          HD23      LEU   4   5.042   7.275  -0.155
   36    H    GLU   5           H        GLU   5   0.955   4.997   1.779
   37    HA   GLU   5           HA       GLU   5   0.529   7.302   0.172
   38    HB2  GLU   5           HB2      GLU   5  -1.138   4.818   0.737
   39    HB3  GLU   5           HB3      GLU   5  -1.595   6.037  -0.457
   40    HG2  GLU   5           HG2      GLU   5   0.360   5.656  -1.784
   41    HG3  GLU   5           HG3      GLU   5   1.127   4.684  -0.544
   42    H    GLN   6           H        GLN   6  -0.928   6.317   3.276
   43    HA   GLN   6           HA       GLN   6  -2.986   8.218   3.367
   44    HB2  GLN   6           HB2      GLN   6  -2.717   6.028   4.548
   45    HB3  GLN   6           HB3      GLN   6  -1.455   6.735   5.565
   46    HG2  GLN   6           HG2      GLN   6  -3.050   8.222   6.555
   47    HG3  GLN   6           HG3      GLN   6  -4.267   7.803   5.345
   48   HE21  GLN   6          HE21      GLN   6  -4.748   5.205   5.295
   49   HE22  GLN   6          HE22      GLN   6  -4.985   4.537   6.890
   50    H    GLU   7           H        GLU   7   0.437   8.840   3.558
   51    HA   GLU   7           HA       GLU   7   0.270  11.115   5.385
   52    HB2  GLU   7           HB2      GLU   7   2.272  10.418   3.161
   53    HB3  GLU   7           HB3      GLU   7   2.376  11.808   4.221
   54    HG2  GLU   7           HG2      GLU   7   2.411  10.326   6.227
   55    HG3  GLU   7           HG3      GLU   7   2.474   8.910   5.162
   56    H    PHE   8           H        PHE   8  -0.164  13.229   4.760
   57    HA   PHE   8           HA       PHE   8  -1.539  13.785   2.271
   58    HB2  PHE   8           HB2      PHE   8  -1.143  16.091   2.682
   59    HB3  PHE   8           HB3      PHE   8  -1.766  15.373   4.163
   60    HD1  PHE   8           HD1      PHE   8   0.043  14.778   6.052
   61    HD2  PHE   8           HD2      PHE   8   0.961  17.178   2.577
   62    HE1  PHE   8           HE1      PHE   8   1.999  15.739   7.223
   63    HE2  PHE   8           HE2      PHE   8   2.922  18.128   3.760
   64    HZ   PHE   8           HZ       PHE   8   3.435  17.419   6.085
   65    H    ALA   9           H        ALA   9  -0.751  14.598   0.411
   66    HA   ALA   9           HA       ALA   9   2.224  15.019   0.229
   67    HB1  ALA   9           HB1      ALA   9   0.230  13.397  -1.363
   68    HB2  ALA   9           HB2      ALA   9   1.904  13.715  -1.936
   69    HB3  ALA   9           HB3      ALA   9   1.613  12.771  -0.430
   70    H    LEU  10           H        LEU  10   2.735  16.907  -0.832
   71    HA   LEU  10           HA       LEU  10   0.592  18.513  -1.994
   72    HB2  LEU  10           HB2      LEU  10   2.746  19.308  -0.708
   73    HB3  LEU  10           HB3      LEU  10   3.486  19.160  -2.316
   74    HG   LEU  10           HG       LEU  10   1.220  20.945  -1.418
   75   HD11  LEU  10          HD11      LEU  10   2.728  22.699  -2.281
   76   HD12  LEU  10          HD12      LEU  10   3.567  21.683  -1.090
   77   HD13  LEU  10          HD13      LEU  10   3.888  21.456  -2.807
   78   HD21  LEU  10          HD21      LEU  10   1.035  21.689  -3.837
   79   HD22  LEU  10          HD22      LEU  10   1.946  20.239  -4.282
   80   HD23  LEU  10          HD23      LEU  10   0.371  20.082  -3.495
   81    H    GLY  11           H        GLY  11   0.027  16.915  -3.319
   82    HA2  GLY  11           HA2      GLY  11   0.471  16.696  -5.971
   83    HA3  GLY  11           HA3      GLY  11   1.826  15.740  -5.284
   84    H    GLY  12           H        GLY  12  -0.287  15.110  -2.948
   85    HA2  GLY  12           HA2      GLY  12  -1.242  12.633  -4.183
   86    HA3  GLY  12           HA3      GLY  12  -1.548  13.240  -2.544
   87    H    ARG  13           H        ARG  13  -3.619  12.471  -3.163
   88    HA   ARG  13           HA       ARG  13  -5.319  14.670  -4.069
   89    HB2  ARG  13           HB2      ARG  13  -5.161  12.634  -5.695
   90    HB3  ARG  13           HB3      ARG  13  -5.928  11.706  -4.413
   91    HG2  ARG  13           HG2      ARG  13  -7.881  13.331  -4.520
   92    HG3  ARG  13           HG3      ARG  13  -7.046  14.087  -5.919
   93    HD2  ARG  13           HD2      ARG  13  -6.907  11.766  -6.938
   94    HD3  ARG  13           HD3      ARG  13  -7.892  11.197  -5.594
   95    HE   ARG  13           HE       ARG  13  -9.009  13.436  -7.191
   96   HH11  ARG  13          HH11      ARG  13  -8.988   9.892  -6.862
   97   HH12  ARG  13          HH12      ARG  13 -10.396   9.679  -7.835
   98   HH21  ARG  13          HH21      ARG  13 -10.824  13.182  -8.391
   99   HH22  ARG  13          HH22      ARG  13 -11.475  11.615  -8.769
  100    H    CYS  14           H        CYS  14  -7.266  14.409  -2.652
  101    HA   CYS  14           HA       CYS  14  -6.811  12.948  -0.107
  102    HB2  CYS  14           HB2      CYS  14  -6.710  15.891  -0.631
  103    HB3  CYS  14           HB3      CYS  14  -7.809  15.388   0.654
  104    HG   CYS  14           HG       CYS  14  -5.533  16.097   1.671
  105    H    LEU  15           H        LEU  15  -8.738  13.393   1.279
  106    HA   LEU  15           HA       LEU  15 -11.311  13.742  -0.167
  107    HB2  LEU  15           HB2      LEU  15 -10.676  11.553   1.854
  108    HB3  LEU  15           HB3      LEU  15 -12.249  11.914   1.202
  109    HG   LEU  15           HG       LEU  15 -11.496   9.968   0.294
  110   HD11  LEU  15          HD11      LEU  15 -10.995  11.859  -2.021
  111   HD12  LEU  15          HD12      LEU  15 -11.836  10.299  -2.030
  112   HD13  LEU  15          HD13      LEU  15 -12.584  11.735  -1.276
  113   HD21  LEU  15          HD21      LEU  15  -9.033  10.318   0.606
  114   HD22  LEU  15          HD22      LEU  15  -9.565   9.365  -0.791
  115   HD23  LEU  15          HD23      LEU  15  -9.017  11.039  -1.019
  116    H    ALA  16           H        ALA  16 -12.688  14.923   1.182
  117    HA   ALA  16           HA       ALA  16 -11.904  15.257   4.007
  118    HB1  ALA  16           HB1      ALA  16 -10.894  17.236   3.106
  119    HB2  ALA  16           HB2      ALA  16 -12.257  17.509   1.990
  120    HB3  ALA  16           HB3      ALA  16 -12.442  17.765   3.746
  121    H    PHE  17           H        PHE  17 -13.506  15.476   5.384
  122    HA   PHE  17           HA       PHE  17 -16.044  14.345   4.415
  123    HB2  PHE  17           HB2      PHE  17 -14.326  13.990   6.718
  124    HB3  PHE  17           HB3      PHE  17 -15.931  14.405   7.258
  125    HD1  PHE  17           HD1      PHE  17 -17.914  12.980   5.900
  126    HD2  PHE  17           HD2      PHE  17 -13.811  11.745   6.483
  127    HE1  PHE  17           HE1      PHE  17 -18.595  10.651   5.883
  128    HE2  PHE  17           HE2      PHE  17 -14.561   9.378   6.516
  129    HZ   PHE  17           HZ       PHE  17 -16.945   8.832   6.327
  130    H    HIS  18           H        HIS  18 -18.051  14.981   4.984
  131    HA   HIS  18           HA       HIS  18 -18.392  17.782   5.983
  132    HB2  HIS  18           HB2      HIS  18 -19.593  16.466   3.519
  133    HB3  HIS  18           HB3      HIS  18 -20.327  17.861   4.305
  134    HD2  HIS  18           HD2      HIS  18 -17.037  16.892   2.485
  135    HE1  HIS  18           HE1      HIS  18 -17.128  21.146   2.696
  136    HE2  HIS  18           HE2      HIS  18 -15.832  19.130   1.854
  137    H    GLY  19           H        GLY  19 -19.997  14.570   5.423
  138    HA2  GLY  19           HA2      GLY  19 -20.723  14.043   7.960
  139    HA3  GLY  19           HA3      GLY  19 -22.018  15.151   7.496
  140    HA   PRO  20           HA       PRO  20 -24.215  11.891   5.353
  141    HB2  PRO  20           HB2      PRO  20 -24.084  13.545   2.842
  142    HB3  PRO  20           HB3      PRO  20 -25.504  12.747   3.584
  143    HG2  PRO  20           HG2      PRO  20 -25.136  15.428   3.863
  144    HG3  PRO  20           HG3      PRO  20 -25.683  14.445   5.257
  145    HD2  PRO  20           HD2      PRO  20 -22.898  15.463   4.647
  146    HD3  PRO  20           HD3      PRO  20 -23.771  15.422   6.206
  147    H    LEU  21           H        LEU  21 -21.566  13.449   3.556
  148    HA   LEU  21           HA       LEU  21 -20.318  10.901   3.017
  149    HB2  LEU  21           HB2      LEU  21 -21.862  12.100   0.923
  150    HB3  LEU  21           HB3      LEU  21 -20.215  12.523   0.550
  151    HG   LEU  21           HG       LEU  21 -19.966   9.872   1.278
  152   HD11  LEU  21          HD11      LEU  21 -21.786   8.665   0.010
  153   HD12  LEU  21          HD12      LEU  21 -22.402   9.563   1.391
  154   HD13  LEU  21          HD13      LEU  21 -22.562  10.233  -0.269
  155   HD21  LEU  21          HD21      LEU  21 -19.791   9.231  -1.083
  156   HD22  LEU  21          HD22      LEU  21 -20.216  10.934  -1.506
  157   HD23  LEU  21          HD23      LEU  21 -18.739  10.534  -0.578
  158    H    MET  22           H        MET  22 -18.309  11.647   1.461
  159    HA   MET  22           HA       MET  22 -17.118  14.137   2.468
  160    HB2  MET  22           HB2      MET  22 -15.121  13.097   3.085
  161    HB3  MET  22           HB3      MET  22 -16.215  11.783   3.500
  162    HG2  MET  22           HG2      MET  22 -14.649  12.165   0.924
  163    HG3  MET  22           HG3      MET  22 -14.176  11.187   2.254
  164    HE1  MET  22           HE1      MET  22 -14.408  10.668  -0.769
  165    HE2  MET  22           HE2      MET  22 -13.606   9.622   0.461
  166    HE3  MET  22           HE3      MET  22 -14.749   8.927  -0.683
  167    H    TYR  23           H        TYR  23 -15.407  14.784   0.756
  168    HA   TYR  23           HA       TYR  23 -15.987  13.635  -1.909
  169    HB2  TYR  23           HB2      TYR  23 -16.271  16.602  -1.317
  170    HB3  TYR  23           HB3      TYR  23 -16.417  15.828  -2.893
  171    HD1  TYR  23           HD1      TYR  23 -18.183  13.734  -2.912
  172    HD2  TYR  23           HD2      TYR  23 -18.300  17.078  -0.177
  173    HE1  TYR  23           HE1      TYR  23 -20.521  13.153  -2.297
  174    HE2  TYR  23           HE2      TYR  23 -20.669  16.568   0.335
  175    HH   TYR  23           HH       TYR  23 -22.348  13.701  -1.069
  176    H    GLU  24           H        GLU  24 -14.477  14.328  -3.506
  177    HA   GLU  24           HA       GLU  24 -11.831  13.865  -2.481
  178    HB2  GLU  24           HB2      GLU  24 -12.857  14.592  -5.259
  179    HB3  GLU  24           HB3      GLU  24 -11.187  14.151  -4.899
  180    HG2  GLU  24           HG2      GLU  24 -12.089  12.243  -5.806
  181    HG3  GLU  24           HG3      GLU  24 -12.079  11.912  -4.081
  182    H    ALA  25           H        ALA  25 -10.061  15.102  -2.524
  183    HA   ALA  25           HA       ALA  25 -10.405  18.012  -2.703
  184    HB1  ALA  25           HB1      ALA  25  -9.383  16.310  -0.379
  185    HB2  ALA  25           HB2      ALA  25  -8.928  17.992  -0.515
  186    HB3  ALA  25           HB3      ALA  25 -10.633  17.537  -0.341
  187    H    LYS  26           H        LYS  26  -8.449  19.038  -3.544
  188    HA   LYS  26           HA       LYS  26  -6.243  17.153  -4.271
  189    HB2  LYS  26           HB2      LYS  26  -8.033  18.278  -6.063
  190    HB3  LYS  26           HB3      LYS  26  -6.761  19.480  -6.038
  191    HG2  LYS  26           HG2      LYS  26  -6.297  16.562  -6.619
  192    HG3  LYS  26           HG3      LYS  26  -6.460  17.835  -7.837
  193    HD2  LYS  26           HD2      LYS  26  -4.436  17.868  -5.607
  194    HD3  LYS  26           HD3      LYS  26  -4.086  17.274  -7.244
  195    HE2  LYS  26           HE2      LYS  26  -4.554  19.526  -8.142
  196    HE3  LYS  26           HE3      LYS  26  -4.971  20.110  -6.525
  197    HZ1  LYS  26           HZ1      LYS  26  -2.280  19.083  -7.231
  198    HZ2  LYS  26           HZ2      LYS  26  -2.671  20.653  -7.222
  199    HZ3  LYS  26           HZ3      LYS  26  -2.725  19.786  -5.819
  200    H    ILE  27           H        ILE  27  -4.671  17.696  -2.850
  201    HA   ILE  27           HA       ILE  27  -4.568  20.186  -1.476
  202    HB   ILE  27           HB       ILE  27  -2.465  17.990  -1.771
  203   HG12  ILE  27          HG12      ILE  27  -4.367  18.432   0.548
  204   HG13  ILE  27          HG13      ILE  27  -4.735  17.299  -0.734
  205   HG21  ILE  27          HG21      ILE  27  -1.433  20.066  -0.917
  206   HG22  ILE  27          HG22      ILE  27  -2.730  20.242   0.287
  207   HG23  ILE  27          HG23      ILE  27  -1.556  18.924   0.403
  208   HD11  ILE  27          HD11      ILE  27  -2.107  16.903   0.699
  209   HD12  ILE  27          HD12      ILE  27  -3.649  16.560   1.530
  210   HD13  ILE  27          HD13      ILE  27  -3.172  15.728  -0.038
  211    H    LEU  28           H        LEU  28  -3.559  22.106  -1.993
  212    HA   LEU  28           HA       LEU  28  -1.224  22.072  -3.819
  213    HB2  LEU  28           HB2      LEU  28  -3.301  22.873  -4.913
  214    HB3  LEU  28           HB3      LEU  28  -3.648  23.949  -3.577
  215    HG   LEU  28           HG       LEU  28  -0.934  24.487  -4.588
  216   HD11  LEU  28          HD11      LEU  28  -1.588  25.224  -6.822
  217   HD12  LEU  28          HD12      LEU  28  -1.818  23.474  -6.567
  218   HD13  LEU  28          HD13      LEU  28  -3.239  24.551  -6.533
  219   HD21  LEU  28          HD21      LEU  28  -1.812  26.769  -4.834
  220   HD22  LEU  28          HD22      LEU  28  -3.474  26.213  -4.524
  221   HD23  LEU  28          HD23      LEU  28  -2.223  26.145  -3.263
  222    H    LYS  29           H        LYS  29  -2.938  24.408  -1.636
  223    HA   LYS  29           HA       LYS  29  -0.245  25.274  -0.816
  224    HB2  LYS  29           HB2      LYS  29  -2.610  26.702  -1.174
  225    HB3  LYS  29           HB3      LYS  29  -2.587  26.479   0.565
  226    HG2  LYS  29           HG2      LYS  29  -0.990  28.006   0.877
  227    HG3  LYS  29           HG3      LYS  29   0.028  27.346  -0.376
  228    HD2  LYS  29           HD2      LYS  29  -0.492  29.590  -0.999
  229    HD3  LYS  29           HD3      LYS  29  -1.369  28.517  -2.114
  230    HE2  LYS  29           HE2      LYS  29  -3.403  28.738  -0.707
  231    HE3  LYS  29           HE3      LYS  29  -2.474  29.791   0.412
  232    HZ1  LYS  29           HZ1      LYS  29  -3.268  30.430  -2.370
  233    HZ2  LYS  29           HZ2      LYS  29  -3.684  31.234  -0.990
  234    HZ3  LYS  29           HZ3      LYS  29  -2.165  31.308  -1.524
  235    H    ILE  30           H        ILE  30   0.625  24.583   1.165
  236    HA   ILE  30           HA       ILE  30  -1.297  23.299   2.984
  237    HB   ILE  30           HB       ILE  30  -0.066  21.502   3.583
  238   HG12  ILE  30          HG12      ILE  30   2.237  22.549   3.580
  239   HG13  ILE  30          HG13      ILE  30   2.120  20.864   3.092
  240   HG21  ILE  30          HG21      ILE  30   0.055  20.185   1.555
  241   HG22  ILE  30          HG22      ILE  30  -1.294  21.357   1.482
  242   HG23  ILE  30          HG23      ILE  30   0.151  21.639   0.540
  243   HD11  ILE  30          HD11      ILE  30   2.316  21.393   0.788
  244   HD12  ILE  30          HD12      ILE  30   2.173  23.137   1.094
  245   HD13  ILE  30          HD13      ILE  30   3.622  22.250   1.645
  246    H    TRP  31           H        TRP  31  -0.687  23.254   4.999
  247    HA   TRP  31           HA       TRP  31   0.871  25.692   5.870
  248    HB2  TRP  31           HB2      TRP  31  -1.246  26.598   5.721
  249    HB3  TRP  31           HB3      TRP  31  -2.038  25.103   6.119
  250    HD1  TRP  31           HD1      TRP  31  -2.005  24.423   8.847
  251    HE1  TRP  31           HE1      TRP  31  -2.300  25.961  10.874
  252    HE3  TRP  31           HE3      TRP  31  -0.736  28.901   6.703
  253    HZ2  TRP  31           HZ2      TRP  31  -2.019  28.703  11.495
  254    HZ3  TRP  31           HZ3      TRP  31  -0.863  30.980   8.047
  255    HH2  TRP  31           HH2      TRP  31  -1.545  30.898  10.439
  256    H    ASP  32           H        ASP  32   1.473  25.806   7.983
  257    HA   ASP  32           HA       ASP  32   1.664  23.299   9.486
  258    HB2  ASP  32           HB2      ASP  32   3.523  23.256   7.883
  259    HB3  ASP  32           HB3      ASP  32   3.988  24.901   8.341
  260    HA   PRO  33           HA       PRO  33   1.033  26.801  12.310
  261    HB2  PRO  33           HB2      PRO  33   0.819  25.268  14.664
  262    HB3  PRO  33           HB3      PRO  33  -0.497  25.724  13.560
  263    HG2  PRO  33           HG2      PRO  33   1.178  23.191  13.587
  264    HG3  PRO  33           HG3      PRO  33  -0.604  23.319  13.394
  265    HD2  PRO  33           HD2      PRO  33   1.013  22.896  11.340
  266    HD3  PRO  33           HD3      PRO  33  -0.372  24.019  11.157
  267    H    SER  34           H        SER  34   3.706  24.692  12.113
  268    HA   SER  34           HA       SER  34   5.183  25.499  14.449
  269    HB2  SER  34           HB2      SER  34   6.344  24.658  11.774
  270    HB3  SER  34           HB3      SER  34   7.089  24.552  13.377
  271    HG   SER  34           HG       SER  34   4.996  23.015  12.241
  272    H    SER  35           H        SER  35   4.498  27.061  11.374
  273    HA   SER  35           HA       SER  35   6.022  29.452  12.306
  274    HB2  SER  35           HB2      SER  35   5.616  28.581   9.422
  275    HB3  SER  35           HB3      SER  35   6.573  29.952  10.009
  276    HG   SER  35           HG       SER  35   7.885  28.122   9.529
  277    H    LYS  36           H        LYS  36   2.965  28.167  11.599
  278    HA   LYS  36           HA       LYS  36   1.005  28.887  10.880
  279    HB2  LYS  36           HB2      LYS  36   1.799  31.163  12.704
  280    HB3  LYS  36           HB3      LYS  36   0.270  31.226  11.856
  281    HG2  LYS  36           HG2      LYS  36  -0.720  29.546  12.992
  282    HG3  LYS  36           HG3      LYS  36   0.762  28.643  13.246
  283    HD2  LYS  36           HD2      LYS  36   0.097  31.208  14.737
  284    HD3  LYS  36           HD3      LYS  36  -0.220  29.570  15.351
  285    HE2  LYS  36           HE2      LYS  36   2.191  29.010  15.156
  286    HE3  LYS  36           HE3      LYS  36   2.527  30.629  14.540
  287    HZ1  LYS  36           HZ1      LYS  36   1.471  30.018  17.241
  288    HZ2  LYS  36           HZ2      LYS  36   3.002  30.469  16.895
  289    HZ3  LYS  36           HZ3      LYS  36   1.775  31.524  16.679
  290    H    MET  37           H        MET  37   2.603  28.962   8.887
  291    HA   MET  37           HA       MET  37   1.456  30.980   7.180
  292    HB2  MET  37           HB2      MET  37   4.457  30.538   7.356
  293    HB3  MET  37           HB3      MET  37   3.640  31.399   6.041
  294    HG2  MET  37           HG2      MET  37   2.722  33.013   7.770
  295    HG3  MET  37           HG3      MET  37   3.744  32.215   8.963
  296    HE1  MET  37           HE1      MET  37   6.427  31.725   7.990
  297    HE2  MET  37           HE2      MET  37   6.006  31.886   6.290
  298    HE3  MET  37           HE3      MET  37   7.248  32.958   6.943
  299    H    TYR  38           H        TYR  38   2.172  30.212   4.842
  300    HA   TYR  38           HA       TYR  38   1.595  27.307   4.800
  301    HB2  TYR  38           HB2      TYR  38   0.249  27.803   2.866
  302    HB3  TYR  38           HB3      TYR  38  -0.204  28.771   4.279
  303    HD1  TYR  38           HD1      TYR  38   1.435  28.978   0.911
  304    HD2  TYR  38           HD2      TYR  38   0.085  31.044   4.421
  305    HE1  TYR  38           HE1      TYR  38   1.701  31.121  -0.287
  306    HE2  TYR  38           HE2      TYR  38   0.528  33.219   3.289
  307    HH   TYR  38           HH       TYR  38   1.219  34.292   1.399
  308    H    THR  39           H        THR  39   1.830  27.016   1.992
  309    HA   THR  39           HA       THR  39   4.389  27.498   0.897
  310    HB   THR  39           HB       THR  39   4.600  24.718   1.108
  311    HG1  THR  39           HG1      THR  39   3.112  25.035   3.025
  312   HG21  THR  39          HG21      THR  39   6.035  26.939   2.579
  313   HG22  THR  39          HG22      THR  39   6.564  25.238   2.632
  314   HG23  THR  39          HG23      THR  39   6.503  26.111   1.085
  315    H    SER  40           H        SER  40   4.242  26.639  -1.320
  316    HA   SER  40           HA       SER  40   1.906  24.970  -2.095
  317    HB2  SER  40           HB2      SER  40   1.471  27.701  -1.946
  318    HB3  SER  40           HB3      SER  40   1.919  27.407  -3.644
  319    HG   SER  40           HG       SER  40  -0.258  27.116  -3.380
  320    H    ILE  41           H        ILE  41   1.889  24.879  -4.513
  321    HA   ILE  41           HA       ILE  41   4.161  25.723  -6.053
  322    HB   ILE  41           HB       ILE  41   4.505  23.395  -7.019
  323   HG12  ILE  41          HG12      ILE  41   3.107  22.447  -4.551
  324   HG13  ILE  41          HG13      ILE  41   2.533  22.317  -6.206
  325   HG21  ILE  41          HG21      ILE  41   6.216  24.450  -5.612
  326   HG22  ILE  41          HG22      ILE  41   5.514  23.641  -4.180
  327   HG23  ILE  41          HG23      ILE  41   6.241  22.725  -5.503
  328   HD11  ILE  41          HD11      ILE  41   4.713  21.132  -6.755
  329   HD12  ILE  41          HD12      ILE  41   4.953  20.988  -4.991
  330   HD13  ILE  41          HD13      ILE  41   3.555  20.211  -5.763
  331    HA   PRO  42           HA       PRO  42   0.688  25.706  -8.884
  332    HB2  PRO  42           HB2      PRO  42   1.864  25.960 -11.316
  333    HB3  PRO  42           HB3      PRO  42   2.256  27.128 -10.028
  334    HG2  PRO  42           HG2      PRO  42   3.853  24.640 -10.646
  335    HG3  PRO  42           HG3      PRO  42   4.405  26.349 -10.673
  336    HD2  PRO  42           HD2      PRO  42   4.686  24.903  -8.411
  337    HD3  PRO  42           HD3      PRO  42   4.055  26.580  -8.299
  338    H    ASN  43           H        ASN  43   1.287  23.078  -7.802
  339    HA   ASN  43           HA       ASN  43   1.352  21.065  -9.902
  340    HB2  ASN  43           HB2      ASN  43   2.160  20.456  -7.674
  341    HB3  ASN  43           HB3      ASN  43   0.612  20.873  -6.937
  342   HD21  ASN  43          HD21      ASN  43   2.212  18.599  -9.245
  343   HD22  ASN  43          HD22      ASN  43   1.001  17.354  -9.089
  344    H    ASP  44           H        ASP  44  -0.236  21.354 -11.322
  345    HA   ASP  44           HA       ASP  44  -2.189  21.174 -12.362
  346    HB2  ASP  44           HB2      ASP  44  -2.739  19.285 -10.886
  347    HB3  ASP  44           HB3      ASP  44  -3.489  20.401  -9.747
  348    H    LYS  45           H        LYS  45  -2.052  23.126  -9.504
  349    HA   LYS  45           HA       LYS  45  -2.406  25.230  -9.100
  350    HB2  LYS  45           HB2      LYS  45  -1.713  26.521 -10.674
  351    HB3  LYS  45           HB3      LYS  45  -1.907  25.263 -11.845
  352    HG2  LYS  45           HG2      LYS  45  -3.955  27.418 -11.199
  353    HG3  LYS  45           HG3      LYS  45  -2.819  27.419 -12.538
  354    HD2  LYS  45           HD2      LYS  45  -3.904  25.336 -13.426
  355    HD3  LYS  45           HD3      LYS  45  -5.168  25.529 -12.205
  356    HE2  LYS  45           HE2      LYS  45  -4.477  27.377 -14.525
  357    HE3  LYS  45           HE3      LYS  45  -5.969  26.461 -14.261
  358    HZ1  LYS  45           HZ1      LYS  45  -6.423  28.675 -13.666
  359    HZ2  LYS  45           HZ2      LYS  45  -6.237  27.912 -12.217
  360    HZ3  LYS  45           HZ3      LYS  45  -5.037  28.854 -12.820
  361    HA   PRO  46           HA       PRO  46  -6.558  25.582  -7.850
  362    HB2  PRO  46           HB2      PRO  46  -6.900  28.248  -7.332
  363    HB3  PRO  46           HB3      PRO  46  -5.893  27.178  -6.298
  364    HG2  PRO  46           HG2      PRO  46  -5.006  29.035  -8.529
  365    HG3  PRO  46           HG3      PRO  46  -4.297  28.873  -6.887
  366    HD2  PRO  46           HD2      PRO  46  -3.215  27.627  -9.030
  367    HD3  PRO  46           HD3      PRO  46  -3.296  26.812  -7.442
  368    H    GLY  47           H        GLY  47  -8.625  26.830  -8.200
  369    HA2  GLY  47           HA2      GLY  47  -8.944  27.733 -11.023
  370    HA3  GLY  47           HA3      GLY  47 -10.220  27.070  -9.975
  371    H    GLY  48           H        GLY  48  -9.052  28.632  -7.621
  372    HA2  GLY  48           HA2      GLY  48 -10.582  31.038  -7.847
  373    HA3  GLY  48           HA3      GLY  48  -9.442  30.606  -6.563
  374    H    SER  49           H        SER  49  -7.285  30.336  -8.835
  375    HA   SER  49           HA       SER  49  -6.755  33.197  -9.393
  376    HB2  SER  49           HB2      SER  49  -4.766  31.339  -8.016
  377    HB3  SER  49           HB3      SER  49  -4.516  33.035  -8.449
  378    HG   SER  49           HG       SER  49  -5.033  32.786  -6.233
  379    H    SER  50           H        SER  50  -5.044  33.471 -11.005
  380    HA   SER  50           HA       SER  50  -5.214  31.758 -13.213
  381    HB2  SER  50           HB2      SER  50  -2.883  33.603 -12.559
  382    HB3  SER  50           HB3      SER  50  -3.492  33.144 -14.158
  383    HG   SER  50           HG       SER  50  -4.215  35.232 -13.536
  384    H    GLN  51           H        GLN  51  -2.680  31.858 -10.611
  385    HA   GLN  51           HA       GLN  51  -2.212  29.078 -10.946
  386    HB2  GLN  51           HB2      GLN  51  -0.595  30.666 -12.604
  387    HB3  GLN  51           HB3      GLN  51   0.374  30.565 -11.133
  388    HG2  GLN  51           HG2      GLN  51   0.106  28.042 -11.246
  389    HG3  GLN  51           HG3      GLN  51  -0.728  28.269 -12.789
  390   HE21  GLN  51          HE21      GLN  51   0.549  28.584 -14.684
  391   HE22  GLN  51          HE22      GLN  51   2.293  28.696 -14.645
  392    H    ALA  52           H        ALA  52  -0.352  28.603  -9.429
  393    HA   ALA  52           HA       ALA  52  -0.224  30.317  -6.993
  394    HB1  ALA  52           HB1      ALA  52  -0.262  27.295  -7.230
  395    HB2  ALA  52           HB2      ALA  52   0.090  28.220  -5.742
  396    HB3  ALA  52           HB3      ALA  52  -1.525  28.332  -6.498
  397    H    THR  53           H        THR  53   1.187  31.131  -8.569
  398    HA   THR  53           HA       THR  53   3.041  30.133 -10.103
  399    HB   THR  53           HB       THR  53   3.621  32.716  -8.651
  400    HG1  THR  53           HG1      THR  53   2.033  33.648  -9.894
  401   HG21  THR  53          HG21      THR  53   3.864  31.793 -11.561
  402   HG22  THR  53          HG22      THR  53   4.269  33.426 -10.958
  403   HG23  THR  53          HG23      THR  53   5.210  32.020 -10.424
  404    H    LYS  54           H        LYS  54   4.396  28.664  -9.882
  405    HA   LYS  54           HA       LYS  54   6.033  27.324  -9.282
  406    HB2  LYS  54           HB2      LYS  54   7.431  29.934  -8.554
  407    HB3  LYS  54           HB3      LYS  54   8.244  28.391  -8.823
  408    HG2  LYS  54           HG2      LYS  54   7.303  28.298 -11.133
  409    HG3  LYS  54           HG3      LYS  54   6.644  29.926 -10.924
  410    HD2  LYS  54           HD2      LYS  54   9.597  29.183 -10.767
  411    HD3  LYS  54           HD3      LYS  54   8.788  29.887 -12.171
  412    HE2  LYS  54           HE2      LYS  54   8.192  31.897 -10.825
  413    HE3  LYS  54           HE3      LYS  54   9.031  31.206  -9.426
  414    HZ1  LYS  54           HZ1      LYS  54  11.088  31.281 -10.703
  415    HZ2  LYS  54           HZ2      LYS  54  10.316  31.907 -11.999
  416    HZ3  LYS  54           HZ3      LYS  54  10.426  32.769 -10.613
  417    H    GLU  55           H        GLU  55   7.975  27.070  -7.312
  418    HA   GLU  55           HA       GLU  55   6.419  26.375  -5.014
  419    HB2  GLU  55           HB2      GLU  55   8.601  26.099  -3.861
  420    HB3  GLU  55           HB3      GLU  55   8.407  25.140  -5.330
  421    HG2  GLU  55           HG2      GLU  55   9.881  26.443  -6.582
  422    HG3  GLU  55           HG3      GLU  55   9.891  27.769  -5.406
  423    H    ILE  56           H        ILE  56   5.849  27.415  -3.322
  424    HA   ILE  56           HA       ILE  56   6.542  30.299  -3.118
  425    HB   ILE  56           HB       ILE  56   4.112  29.084  -1.806
  426   HG12  ILE  56          HG12      ILE  56   4.303  29.876  -4.737
  427   HG13  ILE  56          HG13      ILE  56   3.814  28.315  -4.087
  428   HG21  ILE  56          HG21      ILE  56   4.940  31.386  -1.255
  429   HG22  ILE  56          HG22      ILE  56   4.707  31.851  -2.951
  430   HG23  ILE  56          HG23      ILE  56   3.328  31.404  -1.935
  431   HD11  ILE  56          HD11      ILE  56   2.298  30.940  -4.002
  432   HD12  ILE  56          HD12      ILE  56   1.826  29.397  -4.730
  433   HD13  ILE  56          HD13      ILE  56   1.861  29.584  -2.927
  434    H    LYS  57           H        LYS  57   7.466  30.947  -1.299
  435    HA   LYS  57           HA       LYS  57   8.472  28.954   0.631
  436    HB2  LYS  57           HB2      LYS  57   8.770  31.994   0.500
  437    HB3  LYS  57           HB3      LYS  57   9.673  30.916   1.553
  438    HG2  LYS  57           HG2      LYS  57   9.924  31.206  -1.463
  439    HG3  LYS  57           HG3      LYS  57  11.121  31.576  -0.228
  440    HD2  LYS  57           HD2      LYS  57  11.227  29.106   0.322
  441    HD3  LYS  57           HD3      LYS  57  10.169  28.804  -1.084
  442    HE2  LYS  57           HE2      LYS  57  11.830  29.994  -2.539
  443    HE3  LYS  57           HE3      LYS  57  12.880  30.196  -1.132
  444    HZ1  LYS  57           HZ1      LYS  57  13.613  28.308  -2.326
  445    HZ2  LYS  57           HZ2      LYS  57  12.894  27.710  -0.984
  446    HZ3  LYS  57           HZ3      LYS  57  12.130  27.647  -2.448
  447    HA   PRO  58           HA       PRO  58   5.302  30.094   3.566
  448    HB2  PRO  58           HB2      PRO  58   7.498  30.421   5.608
  449    HB3  PRO  58           HB3      PRO  58   5.980  29.460   5.745
  450    HG2  PRO  58           HG2      PRO  58   8.399  28.281   5.369
  451    HG3  PRO  58           HG3      PRO  58   6.947  27.685   4.496
  452    HD2  PRO  58           HD2      PRO  58   9.091  29.593   3.518
  453    HD3  PRO  58           HD3      PRO  58   8.365  28.172   2.682
  454    H    GLN  59           H        GLN  59   4.400  31.985   3.615
  455    HA   GLN  59           HA       GLN  59   5.884  34.425   4.385
  456    HB2  GLN  59           HB2      GLN  59   4.296  34.074   1.792
  457    HB3  GLN  59           HB3      GLN  59   4.752  35.638   2.472
  458    HG2  GLN  59           HG2      GLN  59   7.162  35.023   2.284
  459    HG3  GLN  59           HG3      GLN  59   6.704  33.482   1.551
  460   HE21  GLN  59          HE21      GLN  59   6.603  37.042   1.062
  461   HE22  GLN  59          HE22      GLN  59   6.447  36.957  -0.680
  462    H    LYS  60           H        LYS  60   4.515  36.006   5.185
  463    HA   LYS  60           HA       LYS  60   2.164  35.423   6.542
  464    HB2  LYS  60           HB2      LYS  60   3.023  38.028   5.207
  465    HB3  LYS  60           HB3      LYS  60   1.638  37.892   6.307
  466    HG2  LYS  60           HG2      LYS  60   3.127  37.093   8.126
  467    HG3  LYS  60           HG3      LYS  60   4.517  37.198   7.036
  468    HD2  LYS  60           HD2      LYS  60   4.541  39.124   8.459
  469    HD3  LYS  60           HD3      LYS  60   4.161  39.653   6.814
  470    HE2  LYS  60           HE2      LYS  60   1.755  39.783   7.404
  471    HE3  LYS  60           HE3      LYS  60   2.108  39.180   9.029
  472    HZ1  LYS  60           HZ1      LYS  60   3.090  41.744   7.907
  473    HZ2  LYS  60           HZ2      LYS  60   1.891  41.578   8.994
  474    HZ3  LYS  60           HZ3      LYS  60   3.420  41.188   9.410
  475    H    LEU  61           H        LEU  61  -0.080  35.675   6.092
  476    HA   LEU  61           HA       LEU  61  -0.742  35.176   3.234
  477    HB2  LEU  61           HB2      LEU  61  -1.761  33.273   3.769
  478    HB3  LEU  61           HB3      LEU  61  -0.593  33.250   5.054
  479    HG   LEU  61           HG       LEU  61  -3.338  34.379   5.685
  480   HD11  LEU  61          HD11      LEU  61  -2.471  31.476   5.433
  481   HD12  LEU  61          HD12      LEU  61  -3.994  32.099   6.185
  482   HD13  LEU  61          HD13      LEU  61  -3.692  32.350   4.476
  483   HD21  LEU  61          HD21      LEU  61  -1.099  32.984   7.207
  484   HD22  LEU  61          HD22      LEU  61  -1.620  34.670   7.373
  485   HD23  LEU  61          HD23      LEU  61  -2.701  33.360   7.888
  486    H    GLY  62           H        GLY  62  -3.289  35.019   3.044
  487    HA2  GLY  62           HA2      GLY  62  -5.335  35.875   3.932
  488    HA3  GLY  62           HA3      GLY  62  -4.543  37.386   4.381
  489    H    GLU  63           H        GLU  63  -3.807  35.867   1.265
  490    HA   GLU  63           HA       GLU  63  -4.548  38.389  -0.044
  491    HB2  GLU  63           HB2      GLU  63  -3.361  35.804  -1.152
  492    HB3  GLU  63           HB3      GLU  63  -3.645  37.285  -2.074
  493    HG2  GLU  63           HG2      GLU  63  -2.180  38.502  -0.361
  494    HG3  GLU  63           HG3      GLU  63  -1.724  36.916   0.257
  495    H    ASP  64           H        ASP  64  -5.723  35.025   0.093
  496    HA   ASP  64           HA       ASP  64  -8.328  35.849  -1.003
  497    HB2  ASP  64           HB2      ASP  64  -6.837  35.347  -2.994
  498    HB3  ASP  64           HB3      ASP  64  -6.688  33.692  -2.391
  499    H    GLU  65           H        GLU  65  -6.808  34.351   1.424
  500    HA   GLU  65           HA       GLU  65  -8.783  32.198   1.809
  501    HB2  GLU  65           HB2      GLU  65  -7.140  30.502   2.050
  502    HB3  GLU  65           HB3      GLU  65  -6.867  31.225   0.477
  503    HG2  GLU  65           HG2      GLU  65  -5.264  31.746   3.004
  504    HG3  GLU  65           HG3      GLU  65  -4.818  30.672   1.692
  505    H    SER  66           H        SER  66  -8.571  31.334   4.073
  506    HA   SER  66           HA       SER  66  -6.725  32.570   5.940
  507    HB2  SER  66           HB2      SER  66  -9.740  33.027   6.179
  508    HB3  SER  66           HB3      SER  66  -8.593  33.245   7.508
  509    HG   SER  66           HG       SER  66  -7.982  34.546   5.126
  510    H    ILE  67           H        ILE  67  -6.489  31.134   7.722
  511    HA   ILE  67           HA       ILE  67  -8.011  28.587   7.562
  512    HB   ILE  67           HB       ILE  67  -6.151  28.052   9.337
  513   HG12  ILE  67          HG12      ILE  67  -4.819  30.205   8.939
  514   HG13  ILE  67          HG13      ILE  67  -3.986  28.693   8.932
  515   HG21  ILE  67          HG21      ILE  67  -5.705  27.630   6.457
  516   HG22  ILE  67          HG22      ILE  67  -4.830  26.877   7.852
  517   HG23  ILE  67          HG23      ILE  67  -6.549  26.550   7.649
  518   HD11  ILE  67          HD11      ILE  67  -4.872  29.998   6.375
  519   HD12  ILE  67          HD12      ILE  67  -3.303  30.290   7.187
  520   HD13  ILE  67          HD13      ILE  67  -3.696  28.677   6.590
  521    HA   PRO  68           HA       PRO  68  -9.888  30.374  11.386
  522    HB2  PRO  68           HB2      PRO  68 -11.106  27.610  11.369
  523    HB3  PRO  68           HB3      PRO  68 -11.888  29.174  11.752
  524    HG2  PRO  68           HG2      PRO  68 -12.298  28.014   9.342
  525    HG3  PRO  68           HG3      PRO  68 -11.961  29.776   9.424
  526    HD2  PRO  68           HD2      PRO  68 -10.038  27.536   8.780
  527    HD3  PRO  68           HD3      PRO  68 -10.250  29.101   7.947
  528    H    GLU  69           H        GLU  69  -9.319  30.018  13.600
  529    HA   GLU  69           HA       GLU  69  -7.008  28.640  14.238
  530    HB2  GLU  69           HB2      GLU  69  -9.266  29.399  16.102
  531    HB3  GLU  69           HB3      GLU  69  -7.619  28.927  16.573
  532    HG2  GLU  69           HG2      GLU  69  -6.696  30.843  15.284
  533    HG3  GLU  69           HG3      GLU  69  -8.331  31.359  14.874
  534    H    GLU  70           H        GLU  70 -10.257  27.391  14.056
  535    HA   GLU  70           HA       GLU  70 -10.197  25.081  15.608
  536    HB2  GLU  70           HB2      GLU  70 -12.132  26.185  14.318
  537    HB3  GLU  70           HB3      GLU  70 -11.494  25.435  12.863
  538    HG2  GLU  70           HG2      GLU  70 -13.286  24.074  13.659
  539    HG3  GLU  70           HG3      GLU  70 -11.807  23.173  13.948
  540    H    ILE  71           H        ILE  71  -8.975  25.580  12.262
  541    HA   ILE  71           HA       ILE  71  -8.151  22.719  12.129
  542    HB   ILE  71           HB       ILE  71  -7.723  23.203   9.747
  543   HG12  ILE  71          HG12      ILE  71  -9.071  25.886  10.213
  544   HG13  ILE  71          HG13      ILE  71  -7.376  25.649   9.759
  545   HG21  ILE  71          HG21      ILE  71  -9.858  22.257  10.658
  546   HG22  ILE  71          HG22      ILE  71 -10.549  23.900  10.579
  547   HG23  ILE  71          HG23      ILE  71 -10.021  23.076   9.098
  548   HD11  ILE  71          HD11      ILE  71  -9.860  25.007   8.101
  549   HD12  ILE  71          HD12      ILE  71  -8.659  26.232   7.774
  550   HD13  ILE  71          HD13      ILE  71  -8.204  24.521   7.634
  551    H    ILE  72           H        ILE  72  -6.818  25.926  12.491
  552    HA   ILE  72           HA       ILE  72  -4.412  25.828  11.283
  553    HB   ILE  72           HB       ILE  72  -5.774  27.244  13.485
  554   HG12  ILE  72          HG12      ILE  72  -4.216  27.789  10.990
  555   HG13  ILE  72          HG13      ILE  72  -5.964  27.808  11.312
  556   HG21  ILE  72          HG21      ILE  72  -4.089  28.600  14.338
  557   HG22  ILE  72          HG22      ILE  72  -3.739  26.937  14.755
  558   HG23  ILE  72          HG23      ILE  72  -2.805  27.720  13.441
  559   HD11  ILE  72          HD11      ILE  72  -5.065  29.953  10.964
  560   HD12  ILE  72          HD12      ILE  72  -5.657  29.796  12.653
  561   HD13  ILE  72          HD13      ILE  72  -3.892  29.736  12.274
  562    H    ASN  73           H        ASN  73  -5.175  24.378  14.299
  563    HA   ASN  73           HA       ASN  73  -2.486  24.211  15.358
  564    HB2  ASN  73           HB2      ASN  73  -5.264  23.292  16.117
  565    HB3  ASN  73           HB3      ASN  73  -3.857  22.754  17.066
  566   HD21  ASN  73          HD21      ASN  73  -5.744  25.588  16.008
  567   HD22  ASN  73          HD22      ASN  73  -5.090  26.688  17.195
  568    H    GLY  74           H        GLY  74  -3.575  22.776  12.793
  569    HA2  GLY  74           HA2      GLY  74  -1.860  20.414  13.110
  570    HA3  GLY  74           HA3      GLY  74  -3.496  20.121  12.469
  571    H    LYS  75           H        LYS  75  -1.512  19.574  10.896
  572    HA   LYS  75           HA       LYS  75  -0.658  21.496   9.013
  573    HB2  LYS  75           HB2      LYS  75  -1.636  18.710   8.408
  574    HB3  LYS  75           HB3      LYS  75  -0.739  19.746   7.299
  575    HG2  LYS  75           HG2      LYS  75   0.463  18.999   9.937
  576    HG3  LYS  75           HG3      LYS  75   0.383  17.810   8.609
  577    HD2  LYS  75           HD2      LYS  75   2.491  18.644   8.295
  578    HD3  LYS  75           HD3      LYS  75   1.537  19.588   7.159
  579    HE2  LYS  75           HE2      LYS  75   3.026  21.105   8.218
  580    HE3  LYS  75           HE3      LYS  75   1.439  21.425   8.905
  581    HZ1  LYS  75           HZ1      LYS  75   2.123  20.150  10.877
  582    HZ2  LYS  75           HZ2      LYS  75   3.570  19.812  10.199
  583    HZ3  LYS  75           HZ3      LYS  75   3.210  21.349  10.593
  584    H    CYS  76           H        CYS  76  -1.795  22.467   7.278
  585    HA   CYS  76           HA       CYS  76  -4.671  21.702   6.972
  586    HB2  CYS  76           HB2      CYS  76  -3.762  24.610   6.994
  587    HB3  CYS  76           HB3      CYS  76  -5.347  24.015   6.530
  588    HG   CYS  76           HG       CYS  76  -3.865  23.402   9.447
  589    H    PHE  77           H        PHE  77  -5.516  22.032   4.926
  590    HA   PHE  77           HA       PHE  77  -3.504  22.125   2.725
  591    HB2  PHE  77           HB2      PHE  77  -5.749  20.090   3.104
  592    HB3  PHE  77           HB3      PHE  77  -4.517  20.137   1.846
  593    HD1  PHE  77           HD1      PHE  77  -2.142  19.720   2.460
  594    HD2  PHE  77           HD2      PHE  77  -5.284  19.318   5.318
  595    HE1  PHE  77           HE1      PHE  77  -0.505  18.788   4.090
  596    HE2  PHE  77           HE2      PHE  77  -3.751  18.178   6.871
  597    HZ   PHE  77           HZ       PHE  77  -1.346  17.818   6.220
  598    H    PHE  78           H        PHE  78  -4.117  23.834   1.583
  599    HA   PHE  78           HA       PHE  78  -6.871  24.694   1.089
  600    HB2  PHE  78           HB2      PHE  78  -4.823  26.219   1.092
  601    HB3  PHE  78           HB3      PHE  78  -4.340  25.390  -0.387
  602    HD1  PHE  78           HD1      PHE  78  -7.077  27.409   1.172
  603    HD2  PHE  78           HD2      PHE  78  -5.191  26.116  -2.490
  604    HE1  PHE  78           HE1      PHE  78  -8.465  29.019  -0.126
  605    HE2  PHE  78           HE2      PHE  78  -6.551  27.763  -3.761
  606    HZ   PHE  78           HZ       PHE  78  -8.146  29.241  -2.570
  607    H    ILE  79           H        ILE  79  -8.059  23.385  -0.098
  608    HA   ILE  79           HA       ILE  79  -6.757  21.649  -2.133
  609    HB   ILE  79           HB       ILE  79  -8.611  20.000  -1.426
  610   HG12  ILE  79          HG12      ILE  79  -8.712  21.560   1.151
  611   HG13  ILE  79          HG13      ILE  79  -9.757  22.048  -0.163
  612   HG21  ILE  79          HG21      ILE  79  -6.705  19.088  -0.581
  613   HG22  ILE  79          HG22      ILE  79  -6.097  20.638   0.046
  614   HG23  ILE  79          HG23      ILE  79  -7.262  19.734   0.963
  615   HD11  ILE  79          HD11      ILE  79 -10.868  19.944  -0.242
  616   HD12  ILE  79          HD12      ILE  79  -9.919  19.399   1.184
  617   HD13  ILE  79          HD13      ILE  79 -11.000  20.829   1.285
  618    H    HIS  80           H        HIS  80  -7.828  21.287  -4.066
  619    HA   HIS  80           HA       HIS  80 -10.239  22.928  -4.629
  620    HB2  HIS  80           HB2      HIS  80  -8.454  22.597  -6.349
  621    HB3  HIS  80           HB3      HIS  80  -8.828  20.858  -6.337
  622    HD2  HIS  80           HD2      HIS  80 -10.092  24.212  -7.575
  623    HE1  HIS  80           HE1      HIS  80 -12.893  21.339  -9.012
  624    HE2  HIS  80           HE2      HIS  80 -12.183  23.773  -9.147
  625    H    TYR  81           H        TYR  81 -12.224  22.063  -4.282
  626    HA   TYR  81           HA       TYR  81 -12.441  19.214  -3.474
  627    HB2  TYR  81           HB2      TYR  81 -14.343  21.519  -3.200
  628    HB3  TYR  81           HB3      TYR  81 -14.944  19.869  -3.261
  629    HD1  TYR  81           HD1      TYR  81 -14.184  18.122  -1.556
  630    HD2  TYR  81           HD2      TYR  81 -13.363  22.338  -1.103
  631    HE1  TYR  81           HE1      TYR  81 -14.191  17.847   0.864
  632    HE2  TYR  81           HE2      TYR  81 -13.362  22.069   1.346
  633    HH   TYR  81           HH       TYR  81 -13.674  20.582   3.132
  634    H    GLN  82           H        GLN  82 -12.719  17.815  -5.047
  635    HA   GLN  82           HA       GLN  82 -13.233  18.767  -7.772
  636    HB2  GLN  82           HB2      GLN  82 -12.723  15.929  -6.850
  637    HB3  GLN  82           HB3      GLN  82 -12.516  16.571  -8.472
  638    HG2  GLN  82           HG2      GLN  82 -10.553  17.854  -7.791
  639    HG3  GLN  82           HG3      GLN  82 -10.893  17.591  -6.096
  640   HE21  GLN  82          HE21      GLN  82  -9.151  16.687  -5.447
  641   HE22  GLN  82          HE22      GLN  82  -8.577  15.108  -5.907
  642    H    GLY  83           H        GLY  83 -14.869  17.815  -9.145
  643    HA2  GLY  83           HA2      GLY  83 -17.038  17.163  -9.612
  644    HA3  GLY  83           HA3      GLY  83 -17.135  16.366  -8.026
  645    H    TRP  84           H        TRP  84 -16.075  19.530  -7.435
  646    HA   TRP  84           HA       TRP  84 -18.828  20.625  -7.303
  647    HB2  TRP  84           HB2      TRP  84 -16.859  20.550  -4.970
  648    HB3  TRP  84           HB3      TRP  84 -18.443  21.340  -5.010
  649    HD1  TRP  84           HD1      TRP  84 -16.963  18.138  -3.969
  650    HE1  TRP  84           HE1      TRP  84 -18.851  16.525  -3.285
  651    HE3  TRP  84           HE3      TRP  84 -20.875  20.592  -6.110
  652    HZ2  TRP  84           HZ2      TRP  84 -21.700  16.477  -3.469
  653    HZ3  TRP  84           HZ3      TRP  84 -23.216  19.737  -5.846
  654    HH2  TRP  84           HH2      TRP  84 -23.638  17.680  -4.499
  655    H    LYS  85           H        LYS  85 -18.634  23.039  -6.592
  656    HA   LYS  85           HA       LYS  85 -17.431  24.249  -8.882
  657    HB2  LYS  85           HB2      LYS  85 -18.398  25.585  -6.314
  658    HB3  LYS  85           HB3      LYS  85 -18.143  26.376  -7.862
  659    HG2  LYS  85           HG2      LYS  85 -20.306  24.319  -7.222
  660    HG3  LYS  85           HG3      LYS  85 -20.494  26.050  -7.384
  661    HD2  LYS  85           HD2      LYS  85 -21.273  25.370  -9.412
  662    HD3  LYS  85           HD3      LYS  85 -19.588  25.729  -9.818
  663    HE2  LYS  85           HE2      LYS  85 -19.047  23.294  -9.638
  664    HE3  LYS  85           HE3      LYS  85 -20.721  22.964  -9.163
  665    HZ1  LYS  85           HZ1      LYS  85 -19.891  24.070 -11.779
  666    HZ2  LYS  85           HZ2      LYS  85 -20.361  22.533 -11.510
  667    HZ3  LYS  85           HZ3      LYS  85 -21.431  23.748 -11.332
  668    H    SER  86           H        SER  86 -15.463  25.255  -9.184
  669    HA   SER  86           HA       SER  86 -13.327  24.909  -7.430
  670    HB2  SER  86           HB2      SER  86 -13.666  27.064  -9.561
  671    HB3  SER  86           HB3      SER  86 -12.129  26.450  -8.907
  672    HG   SER  86           HG       SER  86 -12.886  25.497 -10.964
  673    H    SER  87           H        SER  87 -15.872  27.277  -7.105
  674    HA   SER  87           HA       SER  87 -14.565  29.267  -5.610
  675    HB2  SER  87           HB2      SER  87 -17.325  28.146  -5.040
  676    HB3  SER  87           HB3      SER  87 -16.751  29.807  -4.819
  677    HG   SER  87           HG       SER  87 -18.008  29.619  -6.714
  678    H    TRP  88           H        TRP  88 -15.261  25.915  -4.818
  679    HA   TRP  88           HA       TRP  88 -14.911  26.171  -1.947
  680    HB2  TRP  88           HB2      TRP  88 -15.101  23.800  -3.858
  681    HB3  TRP  88           HB3      TRP  88 -14.882  23.651  -2.137
  682    HD1  TRP  88           HD1      TRP  88 -17.542  26.003  -3.695
  683    HE1  TRP  88           HE1      TRP  88 -19.784  25.319  -2.724
  684    HE3  TRP  88           HE3      TRP  88 -16.021  21.947  -1.044
  685    HZ2  TRP  88           HZ2      TRP  88 -20.877  23.060  -1.203
  686    HZ3  TRP  88           HZ3      TRP  88 -17.689  20.455   0.082
  687    HH2  TRP  88           HH2      TRP  88 -20.106  21.018   0.021
  688    H    ASP  89           H        ASP  89 -12.609  26.942  -4.029
  689    HA   ASP  89           HA       ASP  89 -10.402  25.219  -3.266
  690    HB2  ASP  89           HB2      ASP  89 -10.653  27.993  -4.475
  691    HB3  ASP  89           HB3      ASP  89  -9.118  27.397  -3.858
  692    H    GLU  90           H        GLU  90 -10.572  24.894  -1.047
  693    HA   GLU  90           HA       GLU  90 -10.301  27.260   0.750
  694    HB2  GLU  90           HB2      GLU  90 -12.705  26.396   0.392
  695    HB3  GLU  90           HB3      GLU  90 -12.138  24.816   0.972
  696    HG2  GLU  90           HG2      GLU  90 -13.385  26.081   2.678
  697    HG3  GLU  90           HG3      GLU  90 -11.761  25.663   3.174
  698    H    TRP  91           H        TRP  91  -9.120  26.764   2.752
  699    HA   TRP  91           HA       TRP  91  -7.874  24.147   2.729
  700    HB2  TRP  91           HB2      TRP  91  -7.471  25.425   5.276
  701    HB3  TRP  91           HB3      TRP  91  -6.355  24.735   4.137
  702    HD1  TRP  91           HD1      TRP  91  -8.325  28.036   4.520
  703    HE1  TRP  91           HE1      TRP  91  -6.653  29.950   4.412
  704    HE3  TRP  91           HE3      TRP  91  -4.030  25.379   3.559
  705    HZ2  TRP  91           HZ2      TRP  91  -3.861  30.318   3.726
  706    HZ3  TRP  91           HZ3      TRP  91  -1.902  26.584   3.106
  707    HH2  TRP  91           HH2      TRP  91  -1.903  29.103   3.046
  708    H    VAL  92           H        VAL  92  -7.913  22.570   4.147
  709    HA   VAL  92           HA       VAL  92  -9.875  22.649   6.393
  710    HB   VAL  92           HB       VAL  92 -10.128  20.099   5.981
  711   HG11  VAL  92          HG11      VAL  92 -11.498  22.004   4.055
  712   HG12  VAL  92          HG12      VAL  92 -12.024  20.368   4.553
  713   HG13  VAL  92          HG13      VAL  92 -11.983  21.685   5.744
  714   HG21  VAL  92          HG21      VAL  92 -10.070  19.330   3.700
  715   HG22  VAL  92          HG22      VAL  92  -9.480  20.909   3.139
  716   HG23  VAL  92          HG23      VAL  92  -8.454  19.914   4.173
  717    H    GLY  93           H        GLY  93  -9.224  21.311   8.168
  718    HA2  GLY  93           HA2      GLY  93  -6.295  20.918   8.370
  719    HA3  GLY  93           HA3      GLY  93  -7.471  20.864   9.685
  720    H    TYR  94           H        TYR  94  -5.667  18.876   9.466
  721    HA   TYR  94           HA       TYR  94  -6.484  16.567   8.087
  722    HB2  TYR  94           HB2      TYR  94  -4.466  17.345   9.823
  723    HB3  TYR  94           HB3      TYR  94  -5.282  16.039  10.711
  724    HD1  TYR  94           HD1      TYR  94  -5.961  14.007   9.088
  725    HD2  TYR  94           HD2      TYR  94  -2.799  16.819   8.372
  726    HE1  TYR  94           HE1      TYR  94  -5.240  12.674   7.142
  727    HE2  TYR  94           HE2      TYR  94  -2.099  15.525   6.368
  728    HH   TYR  94           HH       TYR  94  -2.532  13.640   5.010
  729    H    ASP  95           H        ASP  95  -7.843  18.038  10.899
  730    HA   ASP  95           HA       ASP  95  -9.423  15.979  11.983
  731    HB2  ASP  95           HB2      ASP  95  -9.267  18.181  13.007
  732    HB3  ASP  95           HB3      ASP  95  -9.989  18.939  11.583
  733    H    ARG  96           H        ARG  96  -9.774  17.663   8.909
  734    HA   ARG  96           HA       ARG  96 -12.343  16.214   8.414
  735    HB2  ARG  96           HB2      ARG  96 -11.446  18.966   7.847
  736    HB3  ARG  96           HB3      ARG  96 -11.969  18.131   6.388
  737    HG2  ARG  96           HG2      ARG  96 -13.858  19.256   7.301
  738    HG3  ARG  96           HG3      ARG  96 -14.089  17.506   7.480
  739    HD2  ARG  96           HD2      ARG  96 -13.447  17.662   9.872
  740    HD3  ARG  96           HD3      ARG  96 -13.200  19.411   9.690
  741    HE   ARG  96           HE       ARG  96 -15.784  18.842   8.757
  742   HH11  ARG  96          HH11      ARG  96 -14.057  18.653  11.885
  743   HH12  ARG  96          HH12      ARG  96 -15.493  18.876  12.825
  744   HH21  ARG  96          HH21      ARG  96 -17.671  19.141  10.031
  745   HH22  ARG  96          HH22      ARG  96 -17.578  19.143  11.755
  746    H    ILE  97           H        ILE  97  -9.082  16.939   6.973
  747    HA   ILE  97           HA       ILE  97  -9.892  15.202   4.747
  748    HB   ILE  97           HB       ILE  97  -9.139  17.539   4.521
  749   HG12  ILE  97          HG12      ILE  97  -7.589  15.480   2.941
  750   HG13  ILE  97          HG13      ILE  97  -9.124  16.212   2.507
  751   HG21  ILE  97          HG21      ILE  97  -6.247  16.731   4.655
  752   HG22  ILE  97          HG22      ILE  97  -7.101  18.306   4.785
  753   HG23  ILE  97          HG23      ILE  97  -7.077  17.192   6.168
  754   HD11  ILE  97          HD11      ILE  97  -7.886  18.464   2.609
  755   HD12  ILE  97          HD12      ILE  97  -6.386  17.509   2.527
  756   HD13  ILE  97          HD13      ILE  97  -7.562  17.426   1.223
  757    H    ARG  98           H        ARG  98  -8.551  13.575   3.833
  758    HA   ARG  98           HA       ARG  98  -6.005  13.038   5.093
  759    HB2  ARG  98           HB2      ARG  98  -7.357  10.474   4.638
  760    HB3  ARG  98           HB3      ARG  98  -6.167  10.931   5.808
  761    HG2  ARG  98           HG2      ARG  98  -8.133  10.306   7.013
  762    HG3  ARG  98           HG3      ARG  98  -8.085  12.062   7.119
  763    HD2  ARG  98           HD2      ARG  98  -9.512  11.635   4.761
  764    HD3  ARG  98           HD3      ARG  98 -10.003  10.243   5.700
  765    HE   ARG  98           HE       ARG  98 -10.758  13.019   6.060
  766   HH11  ARG  98          HH11      ARG  98 -10.422   9.973   7.879
  767   HH12  ARG  98          HH12      ARG  98 -11.428  10.495   9.182
  768   HH21  ARG  98          HH21      ARG  98 -12.039  13.700   7.750
  769   HH22  ARG  98          HH22      ARG  98 -12.367  12.683   9.118
  770    H    ALA  99           H        ALA  99  -4.596  11.892   3.778
  771    HA   ALA  99           HA       ALA  99  -4.745  12.473   1.002
  772    HB1  ALA  99           HB1      ALA  99  -2.774  12.178   2.658
  773    HB2  ALA  99           HB2      ALA  99  -2.929  10.467   2.253
  774    HB3  ALA  99           HB3      ALA  99  -2.562  11.686   0.946
  775    H    TYR 100           H        TYR 100  -4.582  11.111  -0.776
  776    HA   TYR 100           HA       TYR 100  -6.713   9.266  -0.792
  777    HB2  TYR 100           HB2      TYR 100  -5.495  10.580  -2.684
  778    HB3  TYR 100           HB3      TYR 100  -4.578   9.101  -2.882
  779    HD1  TYR 100           HD1      TYR 100  -7.957  10.622  -2.994
  780    HD2  TYR 100           HD2      TYR 100  -5.591   7.149  -3.937
  781    HE1  TYR 100           HE1      TYR 100  -9.842   9.716  -4.346
  782    HE2  TYR 100           HE2      TYR 100  -7.446   6.243  -5.310
  783    HH   TYR 100           HH       TYR 100  -9.596   6.621  -6.166
  784    H    ASN 101           H        ASN 101  -6.827   7.288  -0.036
  785    HA   ASN 101           HA       ASN 101  -5.006   5.246  -0.795
  786    HB2  ASN 101           HB2      ASN 101  -4.023   4.495   1.244
  787    HB3  ASN 101           HB3      ASN 101  -3.636   6.190   1.105
  788   HD21  ASN 101          HD21      ASN 101  -5.068   7.754   2.362
  789   HD22  ASN 101          HD22      ASN 101  -5.603   7.210   3.932
  790    H    GLU 102           H        GLU 102  -5.492   3.117   0.428
  791    HA   GLU 102           HA       GLU 102  -8.082   2.402  -0.237
  792    HB2  GLU 102           HB2      GLU 102  -6.103   1.027   1.626
  793    HB3  GLU 102           HB3      GLU 102  -7.596   0.286   1.035
  794    HG2  GLU 102           HG2      GLU 102  -6.744   0.832  -1.354
  795    HG3  GLU 102           HG3      GLU 102  -5.179   1.133  -0.607
  796    H    GLU 103           H        GLU 103  -6.911   3.559   2.930
  797    HA   GLU 103           HA       GLU 103  -9.222   2.751   4.432
  798    HB2  GLU 103           HB2      GLU 103  -6.925   3.488   5.255
  799    HB3  GLU 103           HB3      GLU 103  -7.388   5.143   4.834
  800    HG2  GLU 103           HG2      GLU 103  -7.897   5.141   7.041
  801    HG3  GLU 103           HG3      GLU 103  -9.472   4.712   6.365
  802    H    ASN 104           H        ASN 104  -8.553   5.507   2.272
  803    HA   ASN 104           HA       ASN 104 -10.866   7.139   3.173
  804    HB2  ASN 104           HB2      ASN 104  -8.885   7.455   0.949
  805    HB3  ASN 104           HB3      ASN 104 -10.390   8.348   1.101
  806   HD21  ASN 104          HD21      ASN 104  -7.282   7.810   2.504
  807   HD22  ASN 104          HD22      ASN 104  -7.266   9.311   3.350
  808    H    ILE 105           H        ILE 105  -9.914   4.742   0.748
  809    HA   ILE 105           HA       ILE 105 -12.361   5.070  -0.780
  810    HB   ILE 105           HB       ILE 105  -9.918   3.376  -0.686
  811   HG12  ILE 105          HG12      ILE 105  -9.224   4.681  -2.446
  812   HG13  ILE 105          HG13      ILE 105 -10.855   4.813  -3.133
  813   HG21  ILE 105          HG21      ILE 105 -12.292   2.948  -2.461
  814   HG22  ILE 105          HG22      ILE 105 -10.660   2.286  -2.785
  815   HG23  ILE 105          HG23      ILE 105 -11.538   1.810  -1.311
  816   HD11  ILE 105          HD11      ILE 105  -9.919   7.016  -2.647
  817   HD12  ILE 105          HD12      ILE 105 -11.329   6.775  -1.622
  818   HD13  ILE 105          HD13      ILE 105  -9.672   6.599  -0.972
  819    H    ALA 106           H        ALA 106 -11.335   3.045   1.919
  820    HA   ALA 106           HA       ALA 106 -13.585   1.262   1.847
  821    HB1  ALA 106           HB1      ALA 106 -12.807   0.761   4.159
  822    HB2  ALA 106           HB2      ALA 106 -11.435   0.856   3.021
  823    HB3  ALA 106           HB3      ALA 106 -11.754   2.199   4.129
  824    H    MET 107           H        MET 107 -12.824   4.329   3.542
  825    HA   MET 107           HA       MET 107 -15.450   4.596   4.661
  826    HB2  MET 107           HB2      MET 107 -14.698   6.486   5.672
  827    HB3  MET 107           HB3      MET 107 -13.132   5.847   5.171
  828    HG2  MET 107           HG2      MET 107 -13.565   7.356   3.066
  829    HG3  MET 107           HG3      MET 107 -14.728   8.146   4.119
  830    HE1  MET 107           HE1      MET 107 -12.559   9.467   2.611
  831    HE2  MET 107           HE2      MET 107 -13.633  10.273   3.821
  832    HE3  MET 107           HE3      MET 107 -11.886  10.643   3.797
  833    H    LYS 108           H        LYS 108 -14.018   5.759   1.531
  834    HA   LYS 108           HA       LYS 108 -16.194   7.176   0.619
  835    HB2  LYS 108           HB2      LYS 108 -14.102   7.017  -0.764
  836    HB3  LYS 108           HB3      LYS 108 -14.409   5.333  -1.031
  837    HG2  LYS 108           HG2      LYS 108 -14.982   6.554  -3.020
  838    HG3  LYS 108           HG3      LYS 108 -16.344   5.693  -2.375
  839    HD2  LYS 108           HD2      LYS 108 -17.471   7.591  -2.817
  840    HD3  LYS 108           HD3      LYS 108 -16.861   8.153  -1.257
  841    HE2  LYS 108           HE2      LYS 108 -14.789   8.998  -2.583
  842    HE3  LYS 108           HE3      LYS 108 -15.720   8.671  -4.038
  843    HZ1  LYS 108           HZ1      LYS 108 -17.346  10.270  -3.385
  844    HZ2  LYS 108           HZ2      LYS 108 -16.630  10.537  -1.925
  845    HZ3  LYS 108           HZ3      LYS 108 -15.851  10.967  -3.309
  846    H    LYS 109           H        LYS 109 -15.539   3.666  -0.075
  847    HA   LYS 109           HA       LYS 109 -17.987   3.335  -1.413
  848    HB2  LYS 109           HB2      LYS 109 -17.470   1.016  -1.540
  849    HB3  LYS 109           HB3      LYS 109 -15.951   1.925  -1.645
  850    HG2  LYS 109           HG2      LYS 109 -15.545   1.378   0.751
  851    HG3  LYS 109           HG3      LYS 109 -16.953   0.301   0.694
  852    HD2  LYS 109           HD2      LYS 109 -15.940  -0.907  -1.244
  853    HD3  LYS 109           HD3      LYS 109 -14.539   0.209  -1.221
  854    HE2  LYS 109           HE2      LYS 109 -13.943  -0.483   0.977
  855    HE3  LYS 109           HE3      LYS 109 -15.421  -1.461   1.136
  856    HZ1  LYS 109           HZ1      LYS 109 -14.553  -2.927  -0.593
  857    HZ2  LYS 109           HZ2      LYS 109 -13.201  -2.018  -0.766
  858    HZ3  LYS 109           HZ3      LYS 109 -13.472  -2.833   0.620
  859    H    ARG 110           H        ARG 110 -17.233   2.827   2.041
  860    HA   ARG 110           HA       ARG 110 -19.760   1.692   2.725
  861    HB2  ARG 110           HB2      ARG 110 -17.746   1.602   4.117
  862    HB3  ARG 110           HB3      ARG 110 -17.796   3.348   4.394
  863    HG2  ARG 110           HG2      ARG 110 -20.189   1.642   5.137
  864    HG3  ARG 110           HG3      ARG 110 -18.741   1.612   6.152
  865    HD2  ARG 110           HD2      ARG 110 -18.821   4.016   6.471
  866    HD3  ARG 110           HD3      ARG 110 -20.245   4.149   5.428
  867    HE   ARG 110           HE       ARG 110 -20.917   2.285   7.387
  868   HH11  ARG 110          HH11      ARG 110 -20.030   5.729   7.348
  869   HH12  ARG 110          HH12      ARG 110 -20.967   6.123   8.748
  870   HH21  ARG 110          HH21      ARG 110 -22.158   2.812   9.255
  871   HH22  ARG 110          HH22      ARG 110 -22.214   4.435   9.834
  872    H    LEU 111           H        LEU 111 -18.703   5.158   2.471
  873    HA   LEU 111           HA       LEU 111 -21.283   6.190   3.335
  874    HB2  LEU 111           HB2      LEU 111 -19.155   7.441   1.600
  875    HB3  LEU 111           HB3      LEU 111 -20.552   8.234   2.336
  876    HG   LEU 111           HG       LEU 111 -18.585   6.887   4.164
  877   HD11  LEU 111          HD11      LEU 111 -17.104   8.781   4.109
  878   HD12  LEU 111          HD12      LEU 111 -17.392   8.350   2.443
  879   HD13  LEU 111          HD13      LEU 111 -18.234   9.745   3.140
  880   HD21  LEU 111          HD21      LEU 111 -20.741   7.668   5.019
  881   HD22  LEU 111          HD22      LEU 111 -19.415   8.632   5.691
  882   HD23  LEU 111          HD23      LEU 111 -20.445   9.288   4.385
  883    H    ALA 112           H        ALA 112 -19.778   5.539   0.184
  884    HA   ALA 112           HA       ALA 112 -21.830   6.566  -1.422
  885    HB1  ALA 112           HB1      ALA 112 -19.955   4.278  -2.084
  886    HB2  ALA 112           HB2      ALA 112 -20.844   5.273  -3.248
  887    HB3  ALA 112           HB3      ALA 112 -19.593   6.028  -2.234
  888    H    ASN 113           H        ASN 113 -22.022   3.751   0.559
  889    HA   ASN 113           HA       ASN 113 -24.224   2.497  -0.931
  890    HB2  ASN 113           HB2      ASN 113 -23.065   2.155   1.845
  891    HB3  ASN 113           HB3      ASN 113 -24.668   1.539   1.492
  892   HD21  ASN 113          HD21      ASN 113 -21.317   1.478   0.093
  893   HD22  ASN 113          HD22      ASN 113 -21.453  -0.168  -0.488
  894    H    LEU 114           H        LEU 114 -23.874   5.185   1.289
  895    HA   LEU 114           HA       LEU 114 -26.715   5.495   1.865
  896    HB2  LEU 114           HB2      LEU 114 -24.874   6.103   3.443
  897    HB3  LEU 114           HB3      LEU 114 -24.405   7.401   2.369
  898    HG   LEU 114           HG       LEU 114 -25.721   7.981   4.421
  899   HD11  LEU 114          HD11      LEU 114 -26.910   9.065   1.844
  900   HD12  LEU 114          HD12      LEU 114 -26.863   9.838   3.439
  901   HD13  LEU 114          HD13      LEU 114 -25.357   9.548   2.554
  902   HD21  LEU 114          HD21      LEU 114 -28.148   7.059   2.837
  903   HD22  LEU 114          HD22      LEU 114 -27.449   6.189   4.224
  904   HD23  LEU 114          HD23      LEU 114 -28.117   7.825   4.436
  905    H    GLU 115           H        GLU 115 -24.261   6.873  -0.306
  906    HA   GLU 115           HA       GLU 115 -25.605   9.029  -1.411
  907    HB2  GLU 115           HB2      GLU 115 -23.257   8.402  -1.881
  908    HB3  GLU 115           HB3      GLU 115 -23.815   7.075  -2.903
  909    HG2  GLU 115           HG2      GLU 115 -24.950   8.741  -4.394
  910    HG3  GLU 115           HG3      GLU 115 -24.367  10.039  -3.353
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  -1.368   0.921   0.424
    2    H2   MET   1           H2       MET   1  -2.234  -0.278  -0.288
    3    H3   MET   1           H3       MET   1  -1.286  -0.614   1.008
    4    HA   MET   1           HA       MET   1  -0.260  -1.385  -1.008
    5    HB2  MET   1           HB2      MET   1  -0.300   1.570  -1.776
    6    HB3  MET   1           HB3      MET   1   0.695   0.338  -2.556
    7    HG2  MET   1           HG2      MET   1  -1.361  -0.953  -3.112
    8    HG3  MET   1           HG3      MET   1  -2.344   0.370  -2.453
    9    HE1  MET   1           HE1      MET   1  -3.720   0.532  -4.705
   10    HE2  MET   1           HE2      MET   1  -2.970   0.639  -6.310
   11    HE3  MET   1           HE3      MET   1  -2.765  -0.835  -5.334
   12    H    VAL   2           H        VAL   2   0.726   1.817   0.397
   13    HA   VAL   2           HA       VAL   2   3.235   0.545   1.392
   14    HB   VAL   2           HB       VAL   2   4.357   2.689   0.767
   15   HG11  VAL   2          HG11      VAL   2   4.582   0.647  -0.633
   16   HG12  VAL   2          HG12      VAL   2   3.211   1.182  -1.622
   17   HG13  VAL   2          HG13      VAL   2   4.703   2.140  -1.582
   18   HG21  VAL   2          HG21      VAL   2   2.366   4.140   0.522
   19   HG22  VAL   2          HG22      VAL   2   3.422   4.184  -0.896
   20   HG23  VAL   2          HG23      VAL   2   1.912   3.260  -0.954
   21    H    ASP   3           H        ASP   3   0.513   2.320   2.153
   22    HA   ASP   3           HA       ASP   3  -0.351   2.977   4.068
   23    HB2  ASP   3           HB2      ASP   3   0.749   1.107   5.167
   24    HB3  ASP   3           HB3      ASP   3   2.190   2.082   5.446
   25    H    LEU   4           H        LEU   4   2.962   4.153   3.694
   26    HA   LEU   4           HA       LEU   4   2.695   6.680   4.976
   27    HB2  LEU   4           HB2      LEU   4   4.358   5.813   2.580
   28    HB3  LEU   4           HB3      LEU   4   4.581   7.331   3.456
   29    HG   LEU   4           HG       LEU   4   4.983   4.544   4.613
   30   HD11  LEU   4          HD11      LEU   4   7.367   5.122   4.616
   31   HD12  LEU   4          HD12      LEU   4   6.710   5.195   2.978
   32   HD13  LEU   4          HD13      LEU   4   7.002   6.700   3.875
   33   HD21  LEU   4          HD21      LEU   4   5.436   7.276   5.892
   34   HD22  LEU   4          HD22      LEU   4   4.272   6.037   6.408
   35   HD23  LEU   4          HD23      LEU   4   6.000   5.730   6.553
   36    H    GLU   5           H        GLU   5   1.369   5.485   2.032
   37    HA   GLU   5           HA       GLU   5   0.775   7.738   0.485
   38    HB2  GLU   5           HB2      GLU   5  -1.153   6.363  -0.276
   39    HB3  GLU   5           HB3      GLU   5   0.348   5.432  -0.190
   40    HG2  GLU   5           HG2      GLU   5  -0.423   4.600   2.093
   41    HG3  GLU   5           HG3      GLU   5  -1.956   5.369   1.814
   42    H    GLN   6           H        GLN   6  -0.608   6.757   3.621
   43    HA   GLN   6           HA       GLN   6  -2.942   8.351   3.491
   44    HB2  GLN   6           HB2      GLN   6  -2.663   6.243   4.723
   45    HB3  GLN   6           HB3      GLN   6  -1.405   6.969   5.739
   46    HG2  GLN   6           HG2      GLN   6  -2.887   8.379   6.798
   47    HG3  GLN   6           HG3      GLN   6  -4.168   8.129   5.601
   48   HE21  GLN   6          HE21      GLN   6  -5.107   5.751   5.499
   49   HE22  GLN   6          HE22      GLN   6  -5.332   4.997   7.063
   50    H    GLU   7           H        GLU   7   0.382   9.257   4.077
   51    HA   GLU   7           HA       GLU   7  -0.128  11.535   5.815
   52    HB2  GLU   7           HB2      GLU   7   2.148  10.943   3.858
   53    HB3  GLU   7           HB3      GLU   7   2.084  12.298   4.962
   54    HG2  GLU   7           HG2      GLU   7   1.918  10.720   6.910
   55    HG3  GLU   7           HG3      GLU   7   2.201   9.368   5.813
   56    H    PHE   8           H        PHE   8  -0.610  13.600   5.146
   57    HA   PHE   8           HA       PHE   8  -1.645  14.232   2.574
   58    HB2  PHE   8           HB2      PHE   8  -1.391  16.513   3.117
   59    HB3  PHE   8           HB3      PHE   8  -1.916  15.703   4.589
   60    HD1  PHE   8           HD1      PHE   8  -0.163  15.264   6.441
   61    HD2  PHE   8           HD2      PHE   8   0.763  17.532   2.891
   62    HE1  PHE   8           HE1      PHE   8   1.812  16.241   7.585
   63    HE2  PHE   8           HE2      PHE   8   2.753  18.511   4.043
   64    HZ   PHE   8           HZ       PHE   8   3.272  17.866   6.393
   65    H    ALA   9           H        ALA   9  -0.695  14.959   0.734
   66    HA   ALA   9           HA       ALA   9   2.311  15.123   0.688
   67    HB1  ALA   9           HB1      ALA   9   1.563  12.932   0.112
   68    HB2  ALA   9           HB2      ALA   9   0.291  13.607  -0.939
   69    HB3  ALA   9           HB3      ALA   9   2.013  13.765  -1.423
   70    H    LEU  10           H        LEU  10   3.190  16.318  -1.087
   71    HA   LEU  10           HA       LEU  10   1.564  18.691  -1.639
   72    HB2  LEU  10           HB2      LEU  10   4.401  18.079  -2.540
   73    HB3  LEU  10           HB3      LEU  10   3.482  19.558  -2.789
   74    HG   LEU  10           HG       LEU  10   4.659  18.482  -0.231
   75   HD11  LEU  10          HD11      LEU  10   5.887  20.102  -1.746
   76   HD12  LEU  10          HD12      LEU  10   4.605  21.277  -1.455
   77   HD13  LEU  10          HD13      LEU  10   5.610  20.726  -0.099
   78   HD21  LEU  10          HD21      LEU  10   2.416  20.539  -0.385
   79   HD22  LEU  10          HD22      LEU  10   2.335  18.959   0.417
   80   HD23  LEU  10          HD23      LEU  10   3.420  20.200   1.056
   81    H    GLY  11           H        GLY  11  -0.039  17.969  -2.749
   82    HA2  GLY  11           HA2      GLY  11  -1.103  17.949  -4.831
   83    HA3  GLY  11           HA3      GLY  11   0.380  17.357  -5.633
   84    H    GLY  12           H        GLY  12  -0.673  16.041  -2.470
   85    HA2  GLY  12           HA2      GLY  12  -1.247  13.428  -3.694
   86    HA3  GLY  12           HA3      GLY  12  -1.444  13.914  -1.981
   87    H    ARG  13           H        ARG  13  -3.450  12.648  -3.325
   88    HA   ARG  13           HA       ARG  13  -5.473  14.774  -3.863
   89    HB2  ARG  13           HB2      ARG  13  -5.466  11.762  -4.269
   90    HB3  ARG  13           HB3      ARG  13  -6.969  12.698  -4.100
   91    HG2  ARG  13           HG2      ARG  13  -6.448  13.958  -6.075
   92    HG3  ARG  13           HG3      ARG  13  -4.868  13.127  -6.254
   93    HD2  ARG  13           HD2      ARG  13  -5.988  10.942  -6.342
   94    HD3  ARG  13           HD3      ARG  13  -7.556  11.707  -6.076
   95    HE   ARG  13           HE       ARG  13  -6.144  12.698  -8.436
   96   HH11  ARG  13          HH11      ARG  13  -8.368  10.173  -7.273
   97   HH12  ARG  13          HH12      ARG  13  -9.001   9.809  -8.835
   98   HH21  ARG  13          HH21      ARG  13  -7.024  12.248 -10.519
   99   HH22  ARG  13          HH22      ARG  13  -8.228  11.031 -10.721
  100    H    CYS  14           H        CYS  14  -7.285  14.457  -2.403
  101    HA   CYS  14           HA       CYS  14  -6.816  12.873   0.055
  102    HB2  CYS  14           HB2      CYS  14  -7.617  15.204   1.162
  103    HB3  CYS  14           HB3      CYS  14  -5.928  14.755   1.010
  104    HG   CYS  14           HG       CYS  14  -6.298  17.278   0.478
  105    H    LEU  15           H        LEU  15  -8.744  13.456   1.554
  106    HA   LEU  15           HA       LEU  15 -11.304  13.663   0.094
  107    HB2  LEU  15           HB2      LEU  15 -10.682  11.507   2.172
  108    HB3  LEU  15           HB3      LEU  15 -12.220  11.846   1.443
  109    HG   LEU  15           HG       LEU  15 -11.565   9.922   0.502
  110   HD11  LEU  15          HD11      LEU  15 -10.535  11.577  -1.783
  111   HD12  LEU  15          HD12      LEU  15 -11.649  10.216  -1.778
  112   HD13  LEU  15          HD13      LEU  15 -12.178  11.822  -1.227
  113   HD21  LEU  15          HD21      LEU  15  -9.125  10.163   1.234
  114   HD22  LEU  15          HD22      LEU  15  -9.470   9.209  -0.203
  115   HD23  LEU  15          HD23      LEU  15  -8.830  10.863  -0.365
  116    H    ALA  16           H        ALA  16 -12.702  14.834   1.400
  117    HA   ALA  16           HA       ALA  16 -11.905  15.313   4.207
  118    HB1  ALA  16           HB1      ALA  16 -12.514  17.775   3.886
  119    HB2  ALA  16           HB2      ALA  16 -10.974  17.290   3.216
  120    HB3  ALA  16           HB3      ALA  16 -12.381  17.494   2.132
  121    H    PHE  17           H        PHE  17 -13.480  15.644   5.587
  122    HA   PHE  17           HA       PHE  17 -16.110  14.582   4.735
  123    HB2  PHE  17           HB2      PHE  17 -14.222  14.053   6.907
  124    HB3  PHE  17           HB3      PHE  17 -15.770  14.522   7.582
  125    HD1  PHE  17           HD1      PHE  17 -17.857  13.201   6.188
  126    HD2  PHE  17           HD2      PHE  17 -13.806  11.818   6.821
  127    HE1  PHE  17           HE1      PHE  17 -18.611  10.895   6.106
  128    HE2  PHE  17           HE2      PHE  17 -14.634   9.474   6.756
  129    HZ   PHE  17           HZ       PHE  17 -17.035   9.011   6.506
  130    H    HIS  18           H        HIS  18 -18.010  15.337   5.369
  131    HA   HIS  18           HA       HIS  18 -18.080  18.153   6.407
  132    HB2  HIS  18           HB2      HIS  18 -19.587  16.886   4.092
  133    HB3  HIS  18           HB3      HIS  18 -20.096  18.377   4.867
  134    HD2  HIS  18           HD2      HIS  18 -17.345  17.001   2.552
  135    HE1  HIS  18           HE1      HIS  18 -16.917  21.239   2.610
  136    HE2  HIS  18           HE2      HIS  18 -16.176  19.095   1.470
  137    H    GLY  19           H        GLY  19 -19.928  15.080   5.958
  138    HA2  GLY  19           HA2      GLY  19 -20.733  14.523   8.440
  139    HA3  GLY  19           HA3      GLY  19 -21.856  15.843   8.059
  140    HA   PRO  20           HA       PRO  20 -24.443  13.150   5.591
  141    HB2  PRO  20           HB2      PRO  20 -23.794  14.732   3.104
  142    HB3  PRO  20           HB3      PRO  20 -25.393  14.246   3.741
  143    HG2  PRO  20           HG2      PRO  20 -24.512  16.801   4.055
  144    HG3  PRO  20           HG3      PRO  20 -25.349  15.964   5.398
  145    HD2  PRO  20           HD2      PRO  20 -22.379  16.378   5.019
  146    HD3  PRO  20           HD3      PRO  20 -23.364  16.541   6.502
  147    H    LEU  21           H        LEU  21 -21.466  14.174   3.900
  148    HA   LEU  21           HA       LEU  21 -20.649  11.449   3.457
  149    HB2  LEU  21           HB2      LEU  21 -22.064  12.715   1.339
  150    HB3  LEU  21           HB3      LEU  21 -20.385  13.013   0.939
  151    HG   LEU  21           HG       LEU  21 -20.239  10.414   1.703
  152   HD11  LEU  21          HD11      LEU  21 -22.943  10.772   0.364
  153   HD12  LEU  21          HD12      LEU  21 -22.165   9.203   0.625
  154   HD13  LEU  21          HD13      LEU  21 -22.648  10.164   2.024
  155   HD21  LEU  21          HD21      LEU  21 -20.159   9.658  -0.589
  156   HD22  LEU  21          HD22      LEU  21 -20.804  11.226  -1.133
  157   HD23  LEU  21          HD23      LEU  21 -19.207  11.097  -0.343
  158    H    MET  22           H        MET  22 -18.546  11.864   1.804
  159    HA   MET  22           HA       MET  22 -17.014  14.182   2.712
  160    HB2  MET  22           HB2      MET  22 -15.579  12.905   3.906
  161    HB3  MET  22           HB3      MET  22 -16.492  11.467   3.603
  162    HG2  MET  22           HG2      MET  22 -14.525  12.508   1.572
  163    HG3  MET  22           HG3      MET  22 -13.963  11.821   3.030
  164    HE1  MET  22           HE1      MET  22 -13.792   9.674  -0.351
  165    HE2  MET  22           HE2      MET  22 -15.325  10.615  -0.621
  166    HE3  MET  22           HE3      MET  22 -13.855  11.400  -0.026
  167    H    TYR  23           H        TYR  23 -15.545  14.820   1.016
  168    HA   TYR  23           HA       TYR  23 -16.025  13.482  -1.614
  169    HB2  TYR  23           HB2      TYR  23 -16.149  16.477  -1.153
  170    HB3  TYR  23           HB3      TYR  23 -16.393  15.621  -2.673
  171    HD1  TYR  23           HD1      TYR  23 -18.286  13.599  -2.392
  172    HD2  TYR  23           HD2      TYR  23 -18.127  17.282  -0.144
  173    HE1  TYR  23           HE1      TYR  23 -20.692  13.368  -1.851
  174    HE2  TYR  23           HE2      TYR  23 -20.534  17.074   0.367
  175    HH   TYR  23           HH       TYR  23 -22.500  14.295  -0.816
  176    H    GLU  24           H        GLU  24 -14.452  14.084  -3.233
  177    HA   GLU  24           HA       GLU  24 -11.786  13.771  -2.277
  178    HB2  GLU  24           HB2      GLU  24 -12.983  14.508  -4.998
  179    HB3  GLU  24           HB3      GLU  24 -11.256  14.255  -4.716
  180    HG2  GLU  24           HG2      GLU  24 -11.795  12.223  -5.534
  181    HG3  GLU  24           HG3      GLU  24 -11.971  11.904  -3.821
  182    H    ALA  25           H        ALA  25 -10.136  15.016  -2.259
  183    HA   ALA  25           HA       ALA  25 -10.421  17.906  -2.497
  184    HB1  ALA  25           HB1      ALA  25  -8.986  18.006  -0.345
  185    HB2  ALA  25           HB2      ALA  25 -10.648  17.454  -0.116
  186    HB3  ALA  25           HB3      ALA  25  -9.321  16.304  -0.127
  187    H    LYS  26           H        LYS  26  -8.078  18.836  -2.817
  188    HA   LYS  26           HA       LYS  26  -6.025  16.839  -3.533
  189    HB2  LYS  26           HB2      LYS  26  -7.439  17.356  -5.613
  190    HB3  LYS  26           HB3      LYS  26  -6.899  19.018  -5.472
  191    HG2  LYS  26           HG2      LYS  26  -4.464  17.930  -5.484
  192    HG3  LYS  26           HG3      LYS  26  -5.321  16.492  -6.063
  193    HD2  LYS  26           HD2      LYS  26  -4.425  17.770  -7.930
  194    HD3  LYS  26           HD3      LYS  26  -6.199  17.810  -7.978
  195    HE2  LYS  26           HE2      LYS  26  -6.251  20.067  -7.094
  196    HE3  LYS  26           HE3      LYS  26  -4.527  20.007  -6.692
  197    HZ1  LYS  26           HZ1      LYS  26  -4.989  21.265  -8.730
  198    HZ2  LYS  26           HZ2      LYS  26  -3.970  20.035  -8.959
  199    HZ3  LYS  26           HZ3      LYS  26  -5.543  19.900  -9.470
  200    H    ILE  27           H        ILE  27  -4.505  17.509  -2.115
  201    HA   ILE  27           HA       ILE  27  -4.401  20.087  -0.895
  202    HB   ILE  27           HB       ILE  27  -2.479  17.726  -1.046
  203   HG12  ILE  27          HG12      ILE  27  -3.469  18.316   1.645
  204   HG13  ILE  27          HG13      ILE  27  -4.794  18.093   0.579
  205   HG21  ILE  27          HG21      ILE  27  -1.113  19.683  -0.519
  206   HG22  ILE  27          HG22      ILE  27  -2.314  20.240   0.677
  207   HG23  ILE  27          HG23      ILE  27  -1.350  18.784   0.983
  208   HD11  ILE  27          HD11      ILE  27  -4.129  16.062   1.750
  209   HD12  ILE  27          HD12      ILE  27  -3.829  15.800  -0.020
  210   HD13  ILE  27          HD13      ILE  27  -2.467  16.129   1.034
  211    H    LEU  28           H        LEU  28  -3.383  21.969  -1.597
  212    HA   LEU  28           HA       LEU  28  -0.926  21.706  -3.262
  213    HB2  LEU  28           HB2      LEU  28  -2.863  22.304  -4.608
  214    HB3  LEU  28           HB3      LEU  28  -3.373  23.538  -3.479
  215    HG   LEU  28           HG       LEU  28  -0.788  23.764  -5.080
  216   HD11  LEU  28          HD11      LEU  28  -3.614  24.744  -5.601
  217   HD12  LEU  28          HD12      LEU  28  -2.191  25.114  -6.622
  218   HD13  LEU  28          HD13      LEU  28  -2.791  23.449  -6.493
  219   HD21  LEU  28          HD21      LEU  28  -1.258  26.264  -4.771
  220   HD22  LEU  28          HD22      LEU  28  -2.497  25.854  -3.575
  221   HD23  LEU  28          HD23      LEU  28  -0.785  25.450  -3.301
  222    H    LYS  29           H        LYS  29  -2.749  24.114  -1.237
  223    HA   LYS  29           HA       LYS  29  -0.069  25.214  -0.565
  224    HB2  LYS  29           HB2      LYS  29  -2.195  26.587  -1.481
  225    HB3  LYS  29           HB3      LYS  29  -2.582  26.636   0.238
  226    HG2  LYS  29           HG2      LYS  29  -0.829  27.995   0.776
  227    HG3  LYS  29           HG3      LYS  29   0.191  27.438  -0.555
  228    HD2  LYS  29           HD2      LYS  29  -0.540  29.736  -0.965
  229    HD3  LYS  29           HD3      LYS  29  -1.155  28.618  -2.202
  230    HE2  LYS  29           HE2      LYS  29  -3.310  28.465  -0.890
  231    HE3  LYS  29           HE3      LYS  29  -2.652  29.721   0.205
  232    HZ1  LYS  29           HZ1      LYS  29  -4.115  30.610  -1.582
  233    HZ2  LYS  29           HZ2      LYS  29  -2.599  31.235  -1.681
  234    HZ3  LYS  29           HZ3      LYS  29  -3.089  30.062  -2.722
  235    H    ILE  30           H        ILE  30   0.765  24.760   1.418
  236    HA   ILE  30           HA       ILE  30  -1.152  23.451   3.264
  237    HB   ILE  30           HB       ILE  30   0.102  21.699   3.730
  238   HG12  ILE  30          HG12      ILE  30   2.326  22.590   4.062
  239   HG13  ILE  30          HG13      ILE  30   2.337  21.122   3.083
  240   HG21  ILE  30          HG21      ILE  30   0.312  20.518   1.654
  241   HG22  ILE  30          HG22      ILE  30  -0.973  21.746   1.448
  242   HG23  ILE  30          HG23      ILE  30   0.572  21.994   0.717
  243   HD11  ILE  30          HD11      ILE  30   2.494  23.945   2.031
  244   HD12  ILE  30          HD12      ILE  30   3.866  22.812   2.175
  245   HD13  ILE  30          HD13      ILE  30   2.555  22.495   1.015
  246    H    TRP  31           H        TRP  31  -0.971  23.802   5.200
  247    HA   TRP  31           HA       TRP  31   0.637  26.202   6.082
  248    HB2  TRP  31           HB2      TRP  31  -1.381  27.191   5.679
  249    HB3  TRP  31           HB3      TRP  31  -2.300  25.753   5.992
  250    HD1  TRP  31           HD1      TRP  31  -2.450  25.092   8.785
  251    HE1  TRP  31           HE1      TRP  31  -3.071  26.715  10.690
  252    HE3  TRP  31           HE3      TRP  31  -1.419  29.625   6.556
  253    HZ2  TRP  31           HZ2      TRP  31  -2.629  29.347  11.361
  254    HZ3  TRP  31           HZ3      TRP  31  -1.753  31.706   7.873
  255    HH2  TRP  31           HH2      TRP  31  -2.426  31.563  10.309
  256    H    ASP  32           H        ASP  32   1.004  26.539   8.285
  257    HA   ASP  32           HA       ASP  32   0.986  24.196  10.007
  258    HB2  ASP  32           HB2      ASP  32   3.001  24.050   8.507
  259    HB3  ASP  32           HB3      ASP  32   3.554  25.598   9.139
  260    HA   PRO  33           HA       PRO  33   0.194  27.949  12.442
  261    HB2  PRO  33           HB2      PRO  33   0.010  26.697  14.948
  262    HB3  PRO  33           HB3      PRO  33  -1.298  26.928  13.773
  263    HG2  PRO  33           HG2      PRO  33   0.518  24.531  14.162
  264    HG3  PRO  33           HG3      PRO  33  -1.259  24.533  13.865
  265    HD2  PRO  33           HD2      PRO  33   0.504  23.954  11.972
  266    HD3  PRO  33           HD3      PRO  33  -0.953  24.932  11.592
  267    H    SER  34           H        SER  34   3.068  26.024  12.686
  268    HA   SER  34           HA       SER  34   4.274  27.093  15.008
  269    HB2  SER  34           HB2      SER  34   5.673  26.300  12.418
  270    HB3  SER  34           HB3      SER  34   6.386  26.401  14.040
  271    HG   SER  34           HG       SER  34   4.462  24.590  13.017
  272    H    SER  35           H        SER  35   3.890  28.522  11.790
  273    HA   SER  35           HA       SER  35   4.868  31.103  12.921
  274    HB2  SER  35           HB2      SER  35   5.134  30.255  10.019
  275    HB3  SER  35           HB3      SER  35   5.799  31.700  10.799
  276    HG   SER  35           HG       SER  35   7.383  30.069  10.535
  277    H    LYS  36           H        LYS  36   2.162  29.427  11.971
  278    HA   LYS  36           HA       LYS  36   0.189  29.850  11.018
  279    HB2  LYS  36           HB2      LYS  36   0.704  32.193  12.800
  280    HB3  LYS  36           HB3      LYS  36  -0.579  32.446  11.650
  281    HG2  LYS  36           HG2      LYS  36  -2.026  31.039  12.592
  282    HG3  LYS  36           HG3      LYS  36  -0.826  29.826  12.993
  283    HD2  LYS  36           HD2      LYS  36  -1.180  32.442  14.520
  284    HD3  LYS  36           HD3      LYS  36  -1.945  30.903  14.969
  285    HE2  LYS  36           HE2      LYS  36   0.278  29.839  15.200
  286    HE3  LYS  36           HE3      LYS  36   1.075  31.335  14.722
  287    HZ1  LYS  36           HZ1      LYS  36   1.048  31.072  17.112
  288    HZ2  LYS  36           HZ2      LYS  36   0.153  32.381  16.711
  289    HZ3  LYS  36           HZ3      LYS  36  -0.579  30.983  17.154
  290    H    MET  37           H        MET  37   1.972  29.720   9.186
  291    HA   MET  37           HA       MET  37   1.184  31.638   7.102
  292    HB2  MET  37           HB2      MET  37   3.969  30.842   8.027
  293    HB3  MET  37           HB3      MET  37   3.670  31.541   6.428
  294    HG2  MET  37           HG2      MET  37   3.089  33.630   7.279
  295    HG3  MET  37           HG3      MET  37   2.690  33.032   8.864
  296    HE1  MET  37           HE1      MET  37   5.934  31.604   7.597
  297    HE2  MET  37           HE2      MET  37   5.774  33.028   6.534
  298    HE3  MET  37           HE3      MET  37   7.115  32.939   7.707
  299    H    TYR  38           H        TYR  38   2.002  30.630   4.951
  300    HA   TYR  38           HA       TYR  38   1.439  27.710   4.997
  301    HB2  TYR  38           HB2      TYR  38   0.184  28.074   2.968
  302    HB3  TYR  38           HB3      TYR  38  -0.418  29.066   4.287
  303    HD1  TYR  38           HD1      TYR  38  -0.018  31.452   4.383
  304    HD2  TYR  38           HD2      TYR  38   1.393  29.157   1.044
  305    HE1  TYR  38           HE1      TYR  38   0.468  33.534   3.128
  306    HE2  TYR  38           HE2      TYR  38   1.499  31.183  -0.341
  307    HH   TYR  38           HH       TYR  38   0.966  34.467   1.188
  308    H    THR  39           H        THR  39   1.809  27.182   2.299
  309    HA   THR  39           HA       THR  39   4.355  27.867   1.266
  310    HB   THR  39           HB       THR  39   4.702  25.069   1.718
  311    HG1  THR  39           HG1      THR  39   3.287  25.466   3.618
  312   HG21  THR  39          HG21      THR  39   6.522  26.523   1.416
  313   HG22  THR  39          HG22      THR  39   6.051  27.549   2.782
  314   HG23  THR  39          HG23      THR  39   6.695  25.904   3.068
  315    H    SER  40           H        SER  40   4.580  26.641  -0.826
  316    HA   SER  40           HA       SER  40   2.643  24.634  -1.543
  317    HB2  SER  40           HB2      SER  40   0.986  26.053  -2.025
  318    HB3  SER  40           HB3      SER  40   2.025  27.448  -2.104
  319    HG   SER  40           HG       SER  40   1.009  26.962  -4.101
  320    H    ILE  41           H        ILE  41   2.974  24.109  -3.936
  321    HA   ILE  41           HA       ILE  41   5.647  24.835  -4.878
  322    HB   ILE  41           HB       ILE  41   6.100  22.427  -5.469
  323   HG12  ILE  41          HG12      ILE  41   5.117  20.668  -4.089
  324   HG13  ILE  41          HG13      ILE  41   3.867  21.772  -3.514
  325   HG21  ILE  41          HG21      ILE  41   5.882  23.019  -2.504
  326   HG22  ILE  41          HG22      ILE  41   6.993  21.895  -3.297
  327   HG23  ILE  41          HG23      ILE  41   7.149  23.631  -3.582
  328   HD11  ILE  41          HD11      ILE  41   3.389  20.062  -5.457
  329   HD12  ILE  41          HD12      ILE  41   2.696  21.678  -5.521
  330   HD13  ILE  41          HD13      ILE  41   4.163  21.304  -6.465
  331    HA   PRO  42           HA       PRO  42   3.376  25.524  -8.543
  332    HB2  PRO  42           HB2      PRO  42   5.351  25.851 -10.399
  333    HB3  PRO  42           HB3      PRO  42   5.120  26.970  -9.036
  334    HG2  PRO  42           HG2      PRO  42   6.985  24.558  -9.173
  335    HG3  PRO  42           HG3      PRO  42   7.414  26.230  -8.717
  336    HD2  PRO  42           HD2      PRO  42   6.873  24.446  -6.780
  337    HD3  PRO  42           HD3      PRO  42   6.109  26.060  -6.665
  338    H    ASN  43           H        ASN  43   4.724  22.471  -8.109
  339    HA   ASN  43           HA       ASN  43   4.477  21.410 -10.778
  340    HB2  ASN  43           HB2      ASN  43   5.898  20.449  -8.873
  341    HB3  ASN  43           HB3      ASN  43   4.393  19.858  -8.163
  342   HD21  ASN  43          HD21      ASN  43   4.502  17.625  -8.477
  343   HD22  ASN  43          HD22      ASN  43   4.801  16.868 -10.025
  344    H    ASP  44           H        ASP  44   2.018  22.729  -9.118
  345    HA   ASP  44           HA       ASP  44  -0.017  20.914 -10.195
  346    HB2  ASP  44           HB2      ASP  44   0.426  20.114  -7.867
  347    HB3  ASP  44           HB3      ASP  44   0.051  21.736  -7.265
  348    H    LYS  45           H        LYS  45  -2.207  21.972  -9.911
  349    HA   LYS  45           HA       LYS  45  -2.047  24.925 -10.335
  350    HB2  LYS  45           HB2      LYS  45  -2.078  23.626 -12.460
  351    HB3  LYS  45           HB3      LYS  45  -3.546  22.799 -11.933
  352    HG2  LYS  45           HG2      LYS  45  -4.724  25.047 -11.921
  353    HG3  LYS  45           HG3      LYS  45  -3.236  25.759 -12.579
  354    HD2  LYS  45           HD2      LYS  45  -3.400  23.990 -14.450
  355    HD3  LYS  45           HD3      LYS  45  -5.020  23.638 -13.852
  356    HE2  LYS  45           HE2      LYS  45  -3.997  26.249 -15.034
  357    HE3  LYS  45           HE3      LYS  45  -5.102  25.103 -15.785
  358    HZ1  LYS  45           HZ1      LYS  45  -5.652  26.825 -13.449
  359    HZ2  LYS  45           HZ2      LYS  45  -6.340  26.926 -14.917
  360    HZ3  LYS  45           HZ3      LYS  45  -6.694  25.648 -13.969
  361    HA   PRO  46           HA       PRO  46  -5.367  24.447  -7.270
  362    HB2  PRO  46           HB2      PRO  46  -6.279  27.195  -7.911
  363    HB3  PRO  46           HB3      PRO  46  -5.684  26.527  -6.377
  364    HG2  PRO  46           HG2      PRO  46  -4.228  28.287  -7.976
  365    HG3  PRO  46           HG3      PRO  46  -3.496  27.113  -6.853
  366    HD2  PRO  46           HD2      PRO  46  -3.771  26.934  -9.843
  367    HD3  PRO  46           HD3      PRO  46  -2.468  26.336  -8.771
  368    H    GLY  47           H        GLY  47  -6.217  26.514 -10.071
  369    HA2  GLY  47           HA2      GLY  47  -7.856  25.031 -11.653
  370    HA3  GLY  47           HA3      GLY  47  -8.883  25.387 -10.240
  371    H    GLY  48           H        GLY  48  -8.355  27.827  -9.430
  372    HA2  GLY  48           HA2      GLY  48  -9.432  29.550 -11.467
  373    HA3  GLY  48           HA3      GLY  48  -9.038  29.966  -9.796
  374    H    SER  49           H        SER  49  -6.211  28.699 -11.010
  375    HA   SER  49           HA       SER  49  -5.198  31.195 -12.240
  376    HB2  SER  49           HB2      SER  49  -3.806  29.673  -9.991
  377    HB3  SER  49           HB3      SER  49  -3.237  31.144 -10.794
  378    HG   SER  49           HG       SER  49  -4.227  31.589  -8.771
  379    H    SER  50           H        SER  50  -3.223  30.778 -13.494
  380    HA   SER  50           HA       SER  50  -3.481  28.559 -15.147
  381    HB2  SER  50           HB2      SER  50  -0.969  30.230 -14.791
  382    HB3  SER  50           HB3      SER  50  -1.538  29.429 -16.264
  383    HG   SER  50           HG       SER  50  -2.007  31.683 -16.255
  384    H    GLN  51           H        GLN  51  -1.346  28.967 -12.297
  385    HA   GLN  51           HA       GLN  51  -1.049  26.231 -11.816
  386    HB2  GLN  51           HB2      GLN  51   0.869  27.221 -13.719
  387    HB3  GLN  51           HB3      GLN  51   1.720  27.184 -12.180
  388    HG2  GLN  51           HG2      GLN  51   1.288  24.849 -11.880
  389    HG3  GLN  51           HG3      GLN  51   0.122  24.801 -13.204
  390   HE21  GLN  51          HE21      GLN  51   3.384  24.212 -12.419
  391   HE22  GLN  51          HE22      GLN  51   4.018  24.151 -14.059
  392    H    ALA  52           H        ALA  52   0.317  26.069  -9.817
  393    HA   ALA  52           HA       ALA  52   0.109  28.359  -8.024
  394    HB1  ALA  52           HB1      ALA  52   1.399  25.611  -7.888
  395    HB2  ALA  52           HB2      ALA  52   1.666  26.841  -6.624
  396    HB3  ALA  52           HB3      ALA  52   0.033  26.231  -6.962
  397    H    THR  53           H        THR  53   1.746  29.867  -7.664
  398    HA   THR  53           HA       THR  53   3.175  30.602  -9.831
  399    HB   THR  53           HB       THR  53   3.804  31.425  -6.981
  400    HG1  THR  53           HG1      THR  53   2.136  32.879  -7.250
  401   HG21  THR  53          HG21      THR  53   4.090  32.828  -9.679
  402   HG22  THR  53          HG22      THR  53   4.408  33.577  -8.086
  403   HG23  THR  53          HG23      THR  53   5.407  32.230  -8.659
  404    H    LYS  54           H        LYS  54   4.861  29.412  -6.910
  405    HA   LYS  54           HA       LYS  54   7.134  28.335  -8.364
  406    HB2  LYS  54           HB2      LYS  54   7.366  31.007  -8.118
  407    HB3  LYS  54           HB3      LYS  54   7.781  30.571  -6.451
  408    HG2  LYS  54           HG2      LYS  54   9.519  28.958  -7.484
  409    HG3  LYS  54           HG3      LYS  54   9.109  29.648  -9.044
  410    HD2  LYS  54           HD2      LYS  54  11.098  30.737  -8.286
  411    HD3  LYS  54           HD3      LYS  54   9.781  31.919  -8.164
  412    HE2  LYS  54           HE2      LYS  54   9.591  31.454  -5.722
  413    HE3  LYS  54           HE3      LYS  54  10.844  30.212  -5.853
  414    HZ1  LYS  54           HZ1      LYS  54  11.750  32.284  -5.044
  415    HZ2  LYS  54           HZ2      LYS  54  12.406  31.949  -6.500
  416    HZ3  LYS  54           HZ3      LYS  54  11.252  33.099  -6.365
  417    H    GLU  55           H        GLU  55   8.856  27.755  -6.349
  418    HA   GLU  55           HA       GLU  55   7.374  26.446  -4.261
  419    HB2  GLU  55           HB2      GLU  55  10.317  27.269  -4.391
  420    HB3  GLU  55           HB3      GLU  55   9.584  26.302  -3.121
  421    HG2  GLU  55           HG2      GLU  55  10.667  24.775  -4.560
  422    HG3  GLU  55           HG3      GLU  55   8.935  24.577  -4.808
  423    H    ILE  56           H        ILE  56   6.067  27.671  -3.036
  424    HA   ILE  56           HA       ILE  56   6.574  30.501  -2.797
  425    HB   ILE  56           HB       ILE  56   4.322  29.051  -1.357
  426   HG12  ILE  56          HG12      ILE  56   4.584  29.840  -4.279
  427   HG13  ILE  56          HG13      ILE  56   4.206  28.242  -3.607
  428   HG21  ILE  56          HG21      ILE  56   4.657  31.861  -2.534
  429   HG22  ILE  56          HG22      ILE  56   3.216  31.256  -1.706
  430   HG23  ILE  56          HG23      ILE  56   4.709  31.446  -0.808
  431   HD11  ILE  56          HD11      ILE  56   2.279  28.941  -4.506
  432   HD12  ILE  56          HD12      ILE  56   2.013  29.347  -2.751
  433   HD13  ILE  56          HD13      ILE  56   2.427  30.618  -3.926
  434    H    LYS  57           H        LYS  57   7.409  31.574  -1.109
  435    HA   LYS  57           HA       LYS  57   8.736  30.057   1.019
  436    HB2  LYS  57           HB2      LYS  57   8.434  33.072   0.533
  437    HB3  LYS  57           HB3      LYS  57   9.471  32.338   1.743
  438    HG2  LYS  57           HG2      LYS  57   9.799  32.226  -1.289
  439    HG3  LYS  57           HG3      LYS  57  10.820  33.067  -0.137
  440    HD2  LYS  57           HD2      LYS  57  10.567  30.046  -0.462
  441    HD3  LYS  57           HD3      LYS  57  11.931  31.070  -0.944
  442    HE2  LYS  57           HE2      LYS  57  12.266  31.702   1.456
  443    HE3  LYS  57           HE3      LYS  57  10.960  30.603   1.907
  444    HZ1  LYS  57           HZ1      LYS  57  12.285  28.775   1.010
  445    HZ2  LYS  57           HZ2      LYS  57  13.491  29.800   0.592
  446    HZ3  LYS  57           HZ3      LYS  57  13.123  29.571   2.163
  447    HA   PRO  58           HA       PRO  58   5.193  30.653   3.678
  448    HB2  PRO  58           HB2      PRO  58   7.294  31.080   5.805
  449    HB3  PRO  58           HB3      PRO  58   5.826  30.032   5.881
  450    HG2  PRO  58           HG2      PRO  58   8.319  29.002   5.550
  451    HG3  PRO  58           HG3      PRO  58   6.927  28.349   4.622
  452    HD2  PRO  58           HD2      PRO  58   9.021  30.352   3.745
  453    HD3  PRO  58           HD3      PRO  58   8.332  28.950   2.847
  454    H    GLN  59           H        GLN  59   4.113  32.487   3.732
  455    HA   GLN  59           HA       GLN  59   5.415  34.960   4.730
  456    HB2  GLN  59           HB2      GLN  59   3.887  34.719   2.094
  457    HB3  GLN  59           HB3      GLN  59   4.203  36.248   2.919
  458    HG2  GLN  59           HG2      GLN  59   6.657  35.795   2.793
  459    HG3  GLN  59           HG3      GLN  59   6.325  34.363   1.812
  460   HE21  GLN  59          HE21      GLN  59   7.652  37.151   1.286
  461   HE22  GLN  59          HE22      GLN  59   6.903  37.651  -0.216
  462    H    LYS  60           H        LYS  60   3.864  36.451   5.602
  463    HA   LYS  60           HA       LYS  60   1.477  35.293   6.714
  464    HB2  LYS  60           HB2      LYS  60   2.829  37.851   6.923
  465    HB3  LYS  60           HB3      LYS  60   1.167  38.158   6.440
  466    HG2  LYS  60           HG2      LYS  60   1.261  38.184   8.838
  467    HG3  LYS  60           HG3      LYS  60   0.372  36.738   8.346
  468    HD2  LYS  60           HD2      LYS  60   2.512  35.415   8.684
  469    HD3  LYS  60           HD3      LYS  60   3.271  36.888   9.299
  470    HE2  LYS  60           HE2      LYS  60   1.569  37.006  11.095
  471    HE3  LYS  60           HE3      LYS  60   0.782  35.552  10.467
  472    HZ1  LYS  60           HZ1      LYS  60   2.740  34.272  11.029
  473    HZ2  LYS  60           HZ2      LYS  60   3.567  35.620  11.476
  474    HZ3  LYS  60           HZ3      LYS  60   2.279  35.114  12.343
  475    H    LEU  61           H        LEU  61  -0.609  35.369   6.030
  476    HA   LEU  61           HA       LEU  61  -0.913  35.628   3.119
  477    HB2  LEU  61           HB2      LEU  61  -1.780  33.611   3.185
  478    HB3  LEU  61           HB3      LEU  61  -1.064  33.486   4.771
  479    HG   LEU  61           HG       LEU  61  -4.013  33.965   4.181
  480   HD11  LEU  61          HD11      LEU  61  -2.566  31.679   5.495
  481   HD12  LEU  61          HD12      LEU  61  -4.241  31.798   4.848
  482   HD13  LEU  61          HD13      LEU  61  -2.846  31.792   3.753
  483   HD21  LEU  61          HD21      LEU  61  -4.311  33.650   6.636
  484   HD22  LEU  61          HD22      LEU  61  -2.549  33.771   6.863
  485   HD23  LEU  61          HD23      LEU  61  -3.482  35.169   6.293
  486    H    GLY  62           H        GLY  62  -3.471  35.441   2.711
  487    HA2  GLY  62           HA2      GLY  62  -5.569  36.285   3.649
  488    HA3  GLY  62           HA3      GLY  62  -4.762  37.791   4.082
  489    H    GLU  63           H        GLU  63  -3.861  36.586   0.921
  490    HA   GLU  63           HA       GLU  63  -4.954  38.865  -0.396
  491    HB2  GLU  63           HB2      GLU  63  -4.001  36.191  -1.514
  492    HB3  GLU  63           HB3      GLU  63  -4.401  37.611  -2.485
  493    HG2  GLU  63           HG2      GLU  63  -2.672  38.919  -1.203
  494    HG3  GLU  63           HG3      GLU  63  -2.171  37.414  -0.424
  495    H    ASP  64           H        ASP  64  -6.296  35.680   0.272
  496    HA   ASP  64           HA       ASP  64  -8.980  36.664  -0.266
  497    HB2  ASP  64           HB2      ASP  64  -8.394  35.844  -2.525
  498    HB3  ASP  64           HB3      ASP  64  -7.911  34.286  -1.858
  499    H    GLU  65           H        GLU  65  -6.764  33.996   0.664
  500    HA   GLU  65           HA       GLU  65  -8.605  32.206   1.790
  501    HB2  GLU  65           HB2      GLU  65  -5.648  32.835   2.299
  502    HB3  GLU  65           HB3      GLU  65  -6.504  31.541   3.083
  503    HG2  GLU  65           HG2      GLU  65  -5.500  30.494   1.283
  504    HG3  GLU  65           HG3      GLU  65  -7.171  30.634   0.827
  505    H    SER  66           H        SER  66  -9.160  31.767   3.890
  506    HA   SER  66           HA       SER  66  -8.047  33.204   6.184
  507    HB2  SER  66           HB2      SER  66 -11.041  33.010   5.637
  508    HB3  SER  66           HB3      SER  66 -10.295  33.479   7.164
  509    HG   SER  66           HG       SER  66 -10.975  35.296   5.903
  510    H    ILE  67           H        ILE  67  -7.209  31.320   7.094
  511    HA   ILE  67           HA       ILE  67  -8.788  28.833   7.085
  512    HB   ILE  67           HB       ILE  67  -6.960  28.361   8.984
  513   HG12  ILE  67          HG12      ILE  67  -5.788  30.624   8.652
  514   HG13  ILE  67          HG13      ILE  67  -4.828  29.170   8.665
  515   HG21  ILE  67          HG21      ILE  67  -5.560  27.289   7.378
  516   HG22  ILE  67          HG22      ILE  67  -7.266  26.923   7.179
  517   HG23  ILE  67          HG23      ILE  67  -6.491  28.095   6.059
  518   HD11  ILE  67          HD11      ILE  67  -4.402  29.222   6.367
  519   HD12  ILE  67          HD12      ILE  67  -5.689  30.407   6.062
  520   HD13  ILE  67          HD13      ILE  67  -4.233  30.895   6.962
  521    HA   PRO  68           HA       PRO  68 -10.923  30.604  10.751
  522    HB2  PRO  68           HB2      PRO  68 -11.873  27.744  10.996
  523    HB3  PRO  68           HB3      PRO  68 -12.806  29.262  11.212
  524    HG2  PRO  68           HG2      PRO  68 -13.043  27.857   8.913
  525    HG3  PRO  68           HG3      PRO  68 -12.851  29.643   8.835
  526    HD2  PRO  68           HD2      PRO  68 -10.761  27.503   8.483
  527    HD3  PRO  68           HD3      PRO  68 -11.046  28.939   7.472
  528    H    GLU  69           H        GLU  69 -10.615  30.384  13.091
  529    HA   GLU  69           HA       GLU  69  -8.202  29.320  14.037
  530    HB2  GLU  69           HB2      GLU  69 -10.747  29.902  15.579
  531    HB3  GLU  69           HB3      GLU  69  -9.143  29.621  16.282
  532    HG2  GLU  69           HG2      GLU  69  -8.239  31.584  15.066
  533    HG3  GLU  69           HG3      GLU  69  -9.836  31.908  14.389
  534    H    GLU  70           H        GLU  70 -11.310  27.788  13.579
  535    HA   GLU  70           HA       GLU  70 -11.110  25.474  15.166
  536    HB2  GLU  70           HB2      GLU  70 -12.426  25.882  12.440
  537    HB3  GLU  70           HB3      GLU  70 -12.697  24.505  13.507
  538    HG2  GLU  70           HG2      GLU  70 -13.513  26.053  15.294
  539    HG3  GLU  70           HG3      GLU  70 -13.350  27.405  14.168
  540    H    ILE  71           H        ILE  71  -9.457  26.256  12.126
  541    HA   ILE  71           HA       ILE  71  -8.365  23.477  12.074
  542    HB   ILE  71           HB       ILE  71  -8.077  23.682   9.688
  543   HG12  ILE  71          HG12      ILE  71  -9.607  26.292   9.861
  544   HG13  ILE  71          HG13      ILE  71  -7.911  26.129   9.408
  545   HG21  ILE  71          HG21      ILE  71 -10.349  23.287   9.074
  546   HG22  ILE  71          HG22      ILE  71 -10.163  22.726  10.742
  547   HG23  ILE  71          HG23      ILE  71 -10.955  24.290  10.404
  548   HD11  ILE  71          HD11      ILE  71  -9.277  26.398   7.379
  549   HD12  ILE  71          HD12      ILE  71  -8.624  24.754   7.414
  550   HD13  ILE  71          HD13      ILE  71 -10.325  25.082   7.844
  551    H    ILE  72           H        ILE  72  -7.545  26.901  12.150
  552    HA   ILE  72           HA       ILE  72  -5.053  27.002  11.145
  553    HB   ILE  72           HB       ILE  72  -6.678  28.481  12.969
  554   HG12  ILE  72          HG12      ILE  72  -4.507  30.186  12.177
  555   HG13  ILE  72          HG13      ILE  72  -4.802  29.025  10.865
  556   HG21  ILE  72          HG21      ILE  72  -5.220  29.777  14.332
  557   HG22  ILE  72          HG22      ILE  72  -5.253  28.091  14.857
  558   HG23  ILE  72          HG23      ILE  72  -3.838  28.738  13.925
  559   HD11  ILE  72          HD11      ILE  72  -6.981  30.594  12.218
  560   HD12  ILE  72          HD12      ILE  72  -6.162  31.048  10.702
  561   HD13  ILE  72          HD13      ILE  72  -7.047  29.492  10.808
  562    H    ASN  73           H        ASN  73  -5.929  25.733  14.220
  563    HA   ASN  73           HA       ASN  73  -3.450  25.500  15.531
  564    HB2  ASN  73           HB2      ASN  73  -4.748  24.107  17.059
  565    HB3  ASN  73           HB3      ASN  73  -5.647  25.560  16.587
  566   HD21  ASN  73          HD21      ASN  73  -7.711  25.290  15.528
  567   HD22  ASN  73          HD22      ASN  73  -8.322  23.724  15.067
  568    H    GLY  74           H        GLY  74  -4.406  23.758  12.846
  569    HA2  GLY  74           HA2      GLY  74  -2.364  21.663  13.366
  570    HA3  GLY  74           HA3      GLY  74  -3.952  21.165  12.759
  571    H    LYS  75           H        LYS  75  -2.136  20.503  11.373
  572    HA   LYS  75           HA       LYS  75  -1.133  22.066   9.230
  573    HB2  LYS  75           HB2      LYS  75  -1.834  19.162   9.699
  574    HB3  LYS  75           HB3      LYS  75  -1.650  19.707   8.043
  575    HG2  LYS  75           HG2      LYS  75   0.423  20.208  10.171
  576    HG3  LYS  75           HG3      LYS  75   0.419  18.753   9.133
  577    HD2  LYS  75           HD2      LYS  75   1.284  19.804   7.350
  578    HD3  LYS  75           HD3      LYS  75   0.209  21.180   7.501
  579    HE2  LYS  75           HE2      LYS  75   2.446  21.976   7.715
  580    HE3  LYS  75           HE3      LYS  75   1.629  22.140   9.272
  581    HZ1  LYS  75           HZ1      LYS  75   3.641  20.094   8.556
  582    HZ2  LYS  75           HZ2      LYS  75   3.791  21.335   9.631
  583    HZ3  LYS  75           HZ3      LYS  75   2.799  20.086   9.968
  584    H    CYS  76           H        CYS  76  -2.198  23.060   7.582
  585    HA   CYS  76           HA       CYS  76  -5.032  22.238   7.087
  586    HB2  CYS  76           HB2      CYS  76  -4.007  25.108   6.954
  587    HB3  CYS  76           HB3      CYS  76  -5.565  24.545   6.377
  588    HG   CYS  76           HG       CYS  76  -4.383  24.152   9.453
  589    H    PHE  77           H        PHE  77  -5.649  22.145   4.978
  590    HA   PHE  77           HA       PHE  77  -3.511  22.471   2.917
  591    HB2  PHE  77           HB2      PHE  77  -5.580  20.238   3.092
  592    HB3  PHE  77           HB3      PHE  77  -4.295  20.433   1.901
  593    HD1  PHE  77           HD1      PHE  77  -1.909  20.490   2.801
  594    HD2  PHE  77           HD2      PHE  77  -5.206  19.225   5.156
  595    HE1  PHE  77           HE1      PHE  77  -0.282  19.616   4.487
  596    HE2  PHE  77           HE2      PHE  77  -3.657  18.312   6.842
  597    HZ   PHE  77           HZ       PHE  77  -1.171  18.369   6.450
  598    H    PHE  78           H        PHE  78  -4.122  24.004   1.648
  599    HA   PHE  78           HA       PHE  78  -6.850  24.800   0.988
  600    HB2  PHE  78           HB2      PHE  78  -4.799  26.309   0.955
  601    HB3  PHE  78           HB3      PHE  78  -4.215  25.341  -0.396
  602    HD1  PHE  78           HD1      PHE  78  -7.072  27.472   0.733
  603    HD2  PHE  78           HD2      PHE  78  -4.836  25.905  -2.605
  604    HE1  PHE  78           HE1      PHE  78  -8.277  29.007  -0.801
  605    HE2  PHE  78           HE2      PHE  78  -6.009  27.469  -4.127
  606    HZ   PHE  78           HZ       PHE  78  -7.711  29.046  -3.222
  607    H    ILE  79           H        ILE  79  -8.015  23.374  -0.174
  608    HA   ILE  79           HA       ILE  79  -6.604  21.494  -1.964
  609    HB   ILE  79           HB       ILE  79  -8.579  19.961  -1.307
  610   HG12  ILE  79          HG12      ILE  79  -8.786  21.718   1.141
  611   HG13  ILE  79          HG13      ILE  79  -9.775  22.046  -0.281
  612   HG21  ILE  79          HG21      ILE  79  -6.268  20.705   0.505
  613   HG22  ILE  79          HG22      ILE  79  -7.479  19.575   1.056
  614   HG23  ILE  79          HG23      ILE  79  -6.585  19.223  -0.420
  615   HD11  ILE  79          HD11      ILE  79 -10.883  19.977  -0.185
  616   HD12  ILE  79          HD12      ILE  79  -9.961  19.521   1.288
  617   HD13  ILE  79          HD13      ILE  79 -11.043  20.948   1.288
  618    H    HIS  80           H        HIS  80  -7.547  20.979  -3.926
  619    HA   HIS  80           HA       HIS  80  -9.883  22.653  -4.740
  620    HB2  HIS  80           HB2      HIS  80  -7.961  22.202  -6.305
  621    HB3  HIS  80           HB3      HIS  80  -8.490  20.507  -6.332
  622    HD2  HIS  80           HD2      HIS  80  -9.533  24.012  -7.471
  623    HE1  HIS  80           HE1      HIS  80 -12.110  21.265  -9.465
  624    HE2  HIS  80           HE2      HIS  80 -11.359  23.694  -9.345
  625    H    TYR  81           H        TYR  81 -11.850  21.852  -4.285
  626    HA   TYR  81           HA       TYR  81 -12.155  19.030  -3.443
  627    HB2  TYR  81           HB2      TYR  81 -14.139  21.283  -3.557
  628    HB3  TYR  81           HB3      TYR  81 -14.642  19.619  -3.425
  629    HD1  TYR  81           HD1      TYR  81 -14.099  18.198  -1.422
  630    HD2  TYR  81           HD2      TYR  81 -13.146  22.421  -1.591
  631    HE1  TYR  81           HE1      TYR  81 -14.207  18.309   1.021
  632    HE2  TYR  81           HE2      TYR  81 -13.302  22.545   0.880
  633    HH   TYR  81           HH       TYR  81 -14.132  19.688   2.911
  634    H    GLN  82           H        GLN  82 -12.433  17.499  -4.898
  635    HA   GLN  82           HA       GLN  82 -12.873  18.290  -7.720
  636    HB2  GLN  82           HB2      GLN  82 -12.133  15.521  -6.728
  637    HB3  GLN  82           HB3      GLN  82 -11.965  16.199  -8.340
  638    HG2  GLN  82           HG2      GLN  82 -10.253  17.814  -7.437
  639    HG3  GLN  82           HG3      GLN  82 -10.430  17.053  -5.846
  640   HE21  GLN  82          HE21      GLN  82  -9.084  15.452  -5.339
  641   HE22  GLN  82          HE22      GLN  82  -8.186  14.487  -6.492
  642    H    GLY  83           H        GLY  83 -14.374  17.035  -9.054
  643    HA2  GLY  83           HA2      GLY  83 -16.483  16.203  -9.484
  644    HA3  GLY  83           HA3      GLY  83 -16.594  15.605  -7.821
  645    H    TRP  84           H        TRP  84 -15.694  18.880  -7.705
  646    HA   TRP  84           HA       TRP  84 -18.504  19.841  -7.716
  647    HB2  TRP  84           HB2      TRP  84 -16.563  20.216  -5.396
  648    HB3  TRP  84           HB3      TRP  84 -18.164  20.969  -5.580
  649    HD1  TRP  84           HD1      TRP  84 -16.702  18.087  -3.896
  650    HE1  TRP  84           HE1      TRP  84 -18.612  16.622  -2.992
  651    HE3  TRP  84           HE3      TRP  84 -20.523  19.980  -6.674
  652    HZ2  TRP  84           HZ2      TRP  84 -21.445  16.443  -3.328
  653    HZ3  TRP  84           HZ3      TRP  84 -22.868  19.161  -6.355
  654    HH2  TRP  84           HH2      TRP  84 -23.340  17.393  -4.668
  655    H    LYS  85           H        LYS  85 -18.409  22.358  -7.231
  656    HA   LYS  85           HA       LYS  85 -17.360  23.408  -9.676
  657    HB2  LYS  85           HB2      LYS  85 -18.311  24.843  -7.145
  658    HB3  LYS  85           HB3      LYS  85 -18.026  25.619  -8.690
  659    HG2  LYS  85           HG2      LYS  85 -20.193  23.563  -8.107
  660    HG3  LYS  85           HG3      LYS  85 -20.392  25.291  -8.299
  661    HD2  LYS  85           HD2      LYS  85 -21.018  24.684 -10.404
  662    HD3  LYS  85           HD3      LYS  85 -19.297  24.884 -10.684
  663    HE2  LYS  85           HE2      LYS  85 -19.841  22.855 -11.745
  664    HE3  LYS  85           HE3      LYS  85 -19.071  22.342 -10.240
  665    HZ1  LYS  85           HZ1      LYS  85 -21.324  21.987  -9.336
  666    HZ2  LYS  85           HZ2      LYS  85 -21.989  22.445 -10.760
  667    HZ3  LYS  85           HZ3      LYS  85 -21.088  21.100 -10.689
  668    H    SER  86           H        SER  86 -15.457  24.414 -10.158
  669    HA   SER  86           HA       SER  86 -13.226  24.271  -8.540
  670    HB2  SER  86           HB2      SER  86 -13.786  26.258 -10.774
  671    HB3  SER  86           HB3      SER  86 -12.181  25.780 -10.182
  672    HG   SER  86           HG       SER  86 -12.895  24.598 -12.074
  673    H    SER  87           H        SER  87 -15.773  26.657  -8.184
  674    HA   SER  87           HA       SER  87 -14.357  28.692  -6.847
  675    HB2  SER  87           HB2      SER  87 -17.102  27.643  -6.070
  676    HB3  SER  87           HB3      SER  87 -16.483  29.303  -5.954
  677    HG   SER  87           HG       SER  87 -17.864  29.041  -7.770
  678    H    TRP  88           H        TRP  88 -15.005  25.369  -5.881
  679    HA   TRP  88           HA       TRP  88 -14.530  25.809  -3.033
  680    HB2  TRP  88           HB2      TRP  88 -14.968  23.295  -4.675
  681    HB3  TRP  88           HB3      TRP  88 -14.656  23.354  -2.950
  682    HD1  TRP  88           HD1      TRP  88 -17.277  25.396  -4.963
  683    HE1  TRP  88           HE1      TRP  88 -19.514  25.142  -3.785
  684    HE3  TRP  88           HE3      TRP  88 -15.860  22.198  -1.244
  685    HZ2  TRP  88           HZ2      TRP  88 -20.661  23.438  -1.724
  686    HZ3  TRP  88           HZ3      TRP  88 -17.561  21.201   0.270
  687    HH2  TRP  88           HH2      TRP  88 -19.955  21.824   0.048
  688    H    ASP  89           H        ASP  89 -12.491  26.934  -3.781
  689    HA   ASP  89           HA       ASP  89 -10.200  25.031  -3.558
  690    HB2  ASP  89           HB2      ASP  89 -10.439  27.613  -5.106
  691    HB3  ASP  89           HB3      ASP  89  -8.934  27.249  -4.273
  692    H    GLU  90           H        GLU  90 -10.343  24.859  -1.341
  693    HA   GLU  90           HA       GLU  90 -10.325  27.293   0.341
  694    HB2  GLU  90           HB2      GLU  90 -12.715  26.450  -0.098
  695    HB3  GLU  90           HB3      GLU  90 -12.204  24.869   0.523
  696    HG2  GLU  90           HG2      GLU  90 -13.509  26.160   2.155
  697    HG3  GLU  90           HG3      GLU  90 -11.928  25.715   2.736
  698    H    TRP  91           H        TRP  91  -9.271  26.815   2.442
  699    HA   TRP  91           HA       TRP  91  -8.027  24.194   2.514
  700    HB2  TRP  91           HB2      TRP  91  -7.699  25.593   5.038
  701    HB3  TRP  91           HB3      TRP  91  -6.524  24.846   4.002
  702    HD1  TRP  91           HD1      TRP  91  -8.655  28.048   3.986
  703    HE1  TRP  91           HE1      TRP  91  -7.094  30.023   3.927
  704    HE3  TRP  91           HE3      TRP  91  -4.114  25.630   3.585
  705    HZ2  TRP  91           HZ2      TRP  91  -4.376  30.540   3.083
  706    HZ3  TRP  91           HZ3      TRP  91  -2.044  26.956   3.196
  707    HH2  TRP  91           HH2      TRP  91  -2.200  29.450   2.883
  708    H    VAL  92           H        VAL  92  -8.021  22.747   4.123
  709    HA   VAL  92           HA       VAL  92 -10.105  22.919   6.240
  710    HB   VAL  92           HB       VAL  92 -10.349  20.373   5.977
  711   HG11  VAL  92          HG11      VAL  92 -12.172  21.938   5.451
  712   HG12  VAL  92          HG12      VAL  92 -11.556  22.096   3.789
  713   HG13  VAL  92          HG13      VAL  92 -12.124  20.511   4.396
  714   HG21  VAL  92          HG21      VAL  92  -9.441  20.966   3.149
  715   HG22  VAL  92          HG22      VAL  92  -8.525  20.064   4.352
  716   HG23  VAL  92          HG23      VAL  92 -10.091  19.434   3.770
  717    H    GLY  93           H        GLY  93  -9.561  21.598   8.085
  718    HA2  GLY  93           HA2      GLY  93  -6.637  21.238   8.464
  719    HA3  GLY  93           HA3      GLY  93  -7.869  21.283   9.728
  720    H    TYR  94           H        TYR  94  -6.087  19.262   9.730
  721    HA   TYR  94           HA       TYR  94  -6.832  16.862   8.447
  722    HB2  TYR  94           HB2      TYR  94  -4.995  17.786  10.418
  723    HB3  TYR  94           HB3      TYR  94  -5.790  16.350  11.080
  724    HD1  TYR  94           HD1      TYR  94  -6.092  14.389   9.361
  725    HD2  TYR  94           HD2      TYR  94  -3.254  17.571   8.978
  726    HE1  TYR  94           HE1      TYR  94  -4.914  13.090   7.599
  727    HE2  TYR  94           HE2      TYR  94  -2.123  16.324   7.120
  728    HH   TYR  94           HH       TYR  94  -3.067  12.969   6.207
  729    H    ASP  95           H        ASP  95  -8.227  18.477  11.163
  730    HA   ASP  95           HA       ASP  95  -9.838  16.342  12.179
  731    HB2  ASP  95           HB2      ASP  95  -9.333  18.576  13.296
  732    HB3  ASP  95           HB3      ASP  95 -10.536  19.300  12.228
  733    H    ARG  96           H        ARG  96  -9.919  17.687   9.104
  734    HA   ARG  96           HA       ARG  96 -12.624  16.518   8.651
  735    HB2  ARG  96           HB2      ARG  96 -11.449  18.928   7.224
  736    HB3  ARG  96           HB3      ARG  96 -12.953  18.126   6.790
  737    HG2  ARG  96           HG2      ARG  96 -12.434  19.588   9.413
  738    HG3  ARG  96           HG3      ARG  96 -13.259  20.254   8.012
  739    HD2  ARG  96           HD2      ARG  96 -15.064  18.656   8.186
  740    HD3  ARG  96           HD3      ARG  96 -14.272  17.800   9.510
  741    HE   ARG  96           HE       ARG  96 -15.739  20.334   9.604
  742   HH11  ARG  96          HH11      ARG  96 -13.526  18.160  11.336
  743   HH12  ARG  96          HH12      ARG  96 -13.619  18.992  12.835
  744   HH21  ARG  96          HH21      ARG  96 -16.036  21.367  11.655
  745   HH22  ARG  96          HH22      ARG  96 -15.218  20.773  13.055
  746    H    ILE  97           H        ILE  97  -9.293  17.124   7.270
  747    HA   ILE  97           HA       ILE  97 -10.010  15.272   5.104
  748    HB   ILE  97           HB       ILE  97  -9.289  17.644   4.807
  749   HG12  ILE  97          HG12      ILE  97  -7.593  15.592   3.334
  750   HG13  ILE  97          HG13      ILE  97  -9.202  16.165   2.878
  751   HG21  ILE  97          HG21      ILE  97  -7.212  17.364   6.484
  752   HG22  ILE  97          HG22      ILE  97  -6.388  16.872   4.976
  753   HG23  ILE  97          HG23      ILE  97  -7.270  18.437   5.066
  754   HD11  ILE  97          HD11      ILE  97  -8.065  18.515   2.906
  755   HD12  ILE  97          HD12      ILE  97  -6.553  17.603   2.764
  756   HD13  ILE  97          HD13      ILE  97  -7.844  17.445   1.539
  757    H    ARG  98           H        ARG  98  -8.572  13.796   4.229
  758    HA   ARG  98           HA       ARG  98  -6.037  13.117   5.612
  759    HB2  ARG  98           HB2      ARG  98  -8.206  11.174   4.936
  760    HB3  ARG  98           HB3      ARG  98  -6.470  10.782   5.198
  761    HG2  ARG  98           HG2      ARG  98  -6.643  11.659   7.527
  762    HG3  ARG  98           HG3      ARG  98  -8.385  11.999   7.270
  763    HD2  ARG  98           HD2      ARG  98  -8.779   9.694   6.691
  764    HD3  ARG  98           HD3      ARG  98  -7.039   9.333   6.789
  765    HE   ARG  98           HE       ARG  98  -7.704  10.271   9.314
  766   HH11  ARG  98          HH11      ARG  98  -8.935   7.672   7.231
  767   HH12  ARG  98          HH12      ARG  98  -8.932   6.471   8.501
  768   HH21  ARG  98          HH21      ARG  98  -7.933   8.709  11.046
  769   HH22  ARG  98          HH22      ARG  98  -8.527   7.121  10.703
  770    H    ALA  99           H        ALA  99  -4.629  11.975   4.025
  771    HA   ALA  99           HA       ALA  99  -4.899  12.961   1.318
  772    HB1  ALA  99           HB1      ALA  99  -2.821  12.569   2.745
  773    HB2  ALA  99           HB2      ALA  99  -3.011  10.867   2.304
  774    HB3  ALA  99           HB3      ALA  99  -2.726  12.136   1.010
  775    H    TYR 100           H        TYR 100  -4.435  11.412  -0.543
  776    HA   TYR 100           HA       TYR 100  -6.650   9.636  -0.706
  777    HB2  TYR 100           HB2      TYR 100  -5.000  10.837  -2.495
  778    HB3  TYR 100           HB3      TYR 100  -4.472   9.183  -2.627
  779    HD1  TYR 100           HD1      TYR 100  -7.735  11.108  -2.476
  780    HD2  TYR 100           HD2      TYR 100  -5.585   7.746  -4.133
  781    HE1  TYR 100           HE1      TYR 100  -9.669  10.591  -3.933
  782    HE2  TYR 100           HE2      TYR 100  -7.520   7.221  -5.577
  783    HH   TYR 100           HH       TYR 100  -9.691   7.810  -6.201
  784    H    ASN 101           H        ASN 101  -6.856   7.617   0.067
  785    HA   ASN 101           HA       ASN 101  -4.905   5.599  -0.428
  786    HB2  ASN 101           HB2      ASN 101  -4.236   4.941   1.774
  787    HB3  ASN 101           HB3      ASN 101  -3.805   6.633   1.556
  788   HD21  ASN 101          HD21      ASN 101  -5.107   8.288   2.610
  789   HD22  ASN 101          HD22      ASN 101  -5.905   7.858   4.090
  790    H    GLU 102           H        GLU 102  -5.468   3.491   0.528
  791    HA   GLU 102           HA       GLU 102  -8.004   2.779  -0.353
  792    HB2  GLU 102           HB2      GLU 102  -6.045   1.269   1.418
  793    HB3  GLU 102           HB3      GLU 102  -7.467   0.547   0.662
  794    HG2  GLU 102           HG2      GLU 102  -6.605   1.167  -1.593
  795    HG3  GLU 102           HG3      GLU 102  -5.154   1.839  -0.849
  796    H    GLU 103           H        GLU 103  -7.009   3.518   3.020
  797    HA   GLU 103           HA       GLU 103  -9.454   2.470   4.150
  798    HB2  GLU 103           HB2      GLU 103  -7.858   2.498   5.734
  799    HB3  GLU 103           HB3      GLU 103  -7.046   3.920   5.111
  800    HG2  GLU 103           HG2      GLU 103  -8.666   5.413   6.097
  801    HG3  GLU 103           HG3      GLU 103  -9.676   4.046   6.612
  802    H    ASN 104           H        ASN 104  -8.657   5.472   2.473
  803    HA   ASN 104           HA       ASN 104 -11.055   6.872   3.591
  804    HB2  ASN 104           HB2      ASN 104  -9.006   7.816   1.654
  805    HB3  ASN 104           HB3      ASN 104 -10.445   8.701   2.233
  806   HD21  ASN 104          HD21      ASN 104  -7.432   9.255   2.614
  807   HD22  ASN 104          HD22      ASN 104  -7.329   9.451   4.333
  808    H    ILE 105           H        ILE 105  -9.924   5.023   0.839
  809    HA   ILE 105           HA       ILE 105 -12.287   5.584  -0.758
  810    HB   ILE 105           HB       ILE 105  -9.905   3.782  -0.714
  811   HG12  ILE 105          HG12      ILE 105  -9.103   5.171  -2.336
  812   HG13  ILE 105          HG13      ILE 105 -10.710   5.415  -3.077
  813   HG21  ILE 105          HG21      ILE 105 -12.258   3.565  -2.572
  814   HG22  ILE 105          HG22      ILE 105 -10.634   2.875  -2.909
  815   HG23  ILE 105          HG23      ILE 105 -11.564   2.328  -1.496
  816   HD11  ILE 105          HD11      ILE 105 -11.170   7.276  -1.488
  817   HD12  ILE 105          HD12      ILE 105  -9.582   6.998  -0.735
  818   HD13  ILE 105          HD13      ILE 105  -9.679   7.531  -2.400
  819    H    ALA 106           H        ALA 106 -11.388   3.290   1.807
  820    HA   ALA 106           HA       ALA 106 -13.714   1.625   1.456
  821    HB1  ALA 106           HB1      ALA 106 -11.972   2.103   3.912
  822    HB2  ALA 106           HB2      ALA 106 -13.054   0.722   3.630
  823    HB3  ALA 106           HB3      ALA 106 -11.612   0.965   2.604
  824    H    MET 107           H        MET 107 -12.892   4.459   3.524
  825    HA   MET 107           HA       MET 107 -15.534   4.703   4.619
  826    HB2  MET 107           HB2      MET 107 -14.787   6.505   5.767
  827    HB3  MET 107           HB3      MET 107 -13.210   5.872   5.257
  828    HG2  MET 107           HG2      MET 107 -13.560   7.533   3.265
  829    HG3  MET 107           HG3      MET 107 -14.745   8.264   4.324
  830    HE1  MET 107           HE1      MET 107 -12.484   9.596   2.991
  831    HE2  MET 107           HE2      MET 107 -13.535  10.387   4.217
  832    HE3  MET 107           HE3      MET 107 -11.761  10.659   4.264
  833    H    LYS 108           H        LYS 108 -14.061   6.155   1.633
  834    HA   LYS 108           HA       LYS 108 -16.207   7.641   0.788
  835    HB2  LYS 108           HB2      LYS 108 -14.132   7.630  -0.508
  836    HB3  LYS 108           HB3      LYS 108 -14.313   5.935  -0.852
  837    HG2  LYS 108           HG2      LYS 108 -14.784   7.073  -2.835
  838    HG3  LYS 108           HG3      LYS 108 -16.245   6.305  -2.291
  839    HD2  LYS 108           HD2      LYS 108 -17.280   8.279  -2.661
  840    HD3  LYS 108           HD3      LYS 108 -16.531   8.844  -1.178
  841    HE2  LYS 108           HE2      LYS 108 -15.860  10.475  -2.755
  842    HE3  LYS 108           HE3      LYS 108 -14.446   9.401  -2.673
  843    HZ1  LYS 108           HZ1      LYS 108 -15.019   9.940  -4.941
  844    HZ2  LYS 108           HZ2      LYS 108 -15.267   8.331  -4.713
  845    HZ3  LYS 108           HZ3      LYS 108 -16.545   9.355  -4.766
  846    H    LYS 109           H        LYS 109 -15.569   4.209  -0.245
  847    HA   LYS 109           HA       LYS 109 -18.035   4.017  -1.600
  848    HB2  LYS 109           HB2      LYS 109 -17.533   1.708  -1.944
  849    HB3  LYS 109           HB3      LYS 109 -16.009   2.609  -1.978
  850    HG2  LYS 109           HG2      LYS 109 -15.638   1.851   0.389
  851    HG3  LYS 109           HG3      LYS 109 -17.050   0.798   0.210
  852    HD2  LYS 109           HD2      LYS 109 -16.014  -0.238  -1.819
  853    HD3  LYS 109           HD3      LYS 109 -14.594   0.839  -1.634
  854    HE2  LYS 109           HE2      LYS 109 -14.102  -0.070   0.513
  855    HE3  LYS 109           HE3      LYS 109 -15.601  -1.032   0.505
  856    HZ1  LYS 109           HZ1      LYS 109 -14.673  -2.315  -1.341
  857    HZ2  LYS 109           HZ2      LYS 109 -13.296  -1.428  -1.321
  858    HZ3  LYS 109           HZ3      LYS 109 -13.664  -2.389  -0.055
  859    H    ARG 110           H        ARG 110 -17.280   3.209   1.795
  860    HA   ARG 110           HA       ARG 110 -19.806   1.985   2.364
  861    HB2  ARG 110           HB2      ARG 110 -17.742   1.846   3.754
  862    HB3  ARG 110           HB3      ARG 110 -17.953   3.528   4.248
  863    HG2  ARG 110           HG2      ARG 110 -20.089   1.395   4.695
  864    HG3  ARG 110           HG3      ARG 110 -18.723   1.598   5.797
  865    HD2  ARG 110           HD2      ARG 110 -19.348   3.940   6.208
  866    HD3  ARG 110           HD3      ARG 110 -20.758   3.754   5.140
  867    HE   ARG 110           HE       ARG 110 -20.868   1.697   7.071
  868   HH11  ARG 110          HH11      ARG 110 -21.156   5.240   6.985
  869   HH12  ARG 110          HH12      ARG 110 -22.267   5.318   8.307
  870   HH21  ARG 110          HH21      ARG 110 -22.345   1.799   8.823
  871   HH22  ARG 110          HH22      ARG 110 -22.943   3.324   9.383
  872    H    LEU 111           H        LEU 111 -18.717   5.463   2.578
  873    HA   LEU 111           HA       LEU 111 -21.237   6.435   3.528
  874    HB2  LEU 111           HB2      LEU 111 -19.165   7.779   1.742
  875    HB3  LEU 111           HB3      LEU 111 -20.519   8.561   2.526
  876    HG   LEU 111           HG       LEU 111 -18.489   7.181   4.261
  877   HD11  LEU 111          HD11      LEU 111 -17.369   8.707   2.533
  878   HD12  LEU 111          HD12      LEU 111 -18.264  10.049   3.244
  879   HD13  LEU 111          HD13      LEU 111 -17.068   9.151   4.201
  880   HD21  LEU 111          HD21      LEU 111 -19.289   8.807   5.884
  881   HD22  LEU 111          HD22      LEU 111 -20.300   9.597   4.640
  882   HD23  LEU 111          HD23      LEU 111 -20.658   7.953   5.189
  883    H    ALA 112           H        ALA 112 -19.861   6.050   0.252
  884    HA   ALA 112           HA       ALA 112 -21.972   7.162  -1.199
  885    HB1  ALA 112           HB1      ALA 112 -21.074   5.970  -3.130
  886    HB2  ALA 112           HB2      ALA 112 -19.765   6.632  -2.135
  887    HB3  ALA 112           HB3      ALA 112 -20.151   4.887  -2.071
  888    H    ASN 113           H        ASN 113 -22.118   4.148   0.567
  889    HA   ASN 113           HA       ASN 113 -24.348   3.075  -0.959
  890    HB2  ASN 113           HB2      ASN 113 -24.181   1.326   0.376
  891    HB3  ASN 113           HB3      ASN 113 -22.757   2.058   1.080
  892   HD21  ASN 113          HD21      ASN 113 -23.036   3.239   3.154
  893   HD22  ASN 113          HD22      ASN 113 -24.391   2.838   4.193
  894    H    LEU 114           H        LEU 114 -24.011   5.605   1.430
  895    HA   LEU 114           HA       LEU 114 -26.801   5.801   2.220
  896    HB2  LEU 114           HB2      LEU 114 -24.677   7.953   2.374
  897    HB3  LEU 114           HB3      LEU 114 -26.165   7.865   3.282
  898    HG   LEU 114           HG       LEU 114 -23.880   5.857   3.611
  899   HD11  LEU 114          HD11      LEU 114 -24.542   8.337   5.235
  900   HD12  LEU 114          HD12      LEU 114 -23.281   7.128   5.601
  901   HD13  LEU 114          HD13      LEU 114 -23.164   8.132   4.133
  902   HD21  LEU 114          HD21      LEU 114 -26.327   6.438   5.326
  903   HD22  LEU 114          HD22      LEU 114 -26.067   4.995   4.330
  904   HD23  LEU 114          HD23      LEU 114 -25.015   5.299   5.716
  905    H    GLU 115           H        GLU 115 -24.573   7.468   0.060
  906    HA   GLU 115           HA       GLU 115 -26.104   9.539  -0.930
  907    HB2  GLU 115           HB2      GLU 115 -23.705   9.166  -1.422
  908    HB3  GLU 115           HB3      GLU 115 -24.135   7.873  -2.546
  909    HG2  GLU 115           HG2      GLU 115 -25.402   9.508  -3.935
  910    HG3  GLU 115           HG3      GLU 115 -24.994  10.787  -2.791
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  -2.466   2.466  -4.141
    2    H2   MET   1           H2       MET   1  -0.945   1.848  -4.120
    3    H3   MET   1           H3       MET   1  -2.044   1.313  -3.038
    4    HA   MET   1           HA       MET   1  -0.922   4.001  -3.212
    5    HB2  MET   1           HB2      MET   1  -2.149   4.657  -1.270
    6    HB3  MET   1           HB3      MET   1  -3.266   4.025  -2.455
    7    HG2  MET   1           HG2      MET   1  -4.069   3.179  -0.480
    8    HG3  MET   1           HG3      MET   1  -3.181   1.801  -1.116
    9    HE1  MET   1           HE1      MET   1  -4.248   2.179   1.962
   10    HE2  MET   1           HE2      MET   1  -3.436   0.721   1.342
   11    HE3  MET   1           HE3      MET   1  -2.852   1.502   2.826
   12    H    VAL   2           H        VAL   2   0.203   4.558  -1.013
   13    HA   VAL   2           HA       VAL   2   1.647   2.283   0.163
   14    HB   VAL   2           HB       VAL   2   3.811   3.508  -0.115
   15   HG11  VAL   2          HG11      VAL   2   2.594   2.743  -2.795
   16   HG12  VAL   2          HG12      VAL   2   4.307   2.764  -2.347
   17   HG13  VAL   2          HG13      VAL   2   3.220   1.602  -1.586
   18   HG21  VAL   2          HG21      VAL   2   2.900   5.780  -0.635
   19   HG22  VAL   2          HG22      VAL   2   4.105   5.225  -1.809
   20   HG23  VAL   2          HG23      VAL   2   2.381   5.193  -2.227
   21    H    ASP   3           H        ASP   3   2.930   3.155   2.125
   22    HA   ASP   3           HA       ASP   3   1.214   4.501   3.873
   23    HB2  ASP   3           HB2      ASP   3   3.032   3.079   4.633
   24    HB3  ASP   3           HB3      ASP   3   4.230   4.192   3.962
   25    H    LEU   4           H        LEU   4   3.847   5.828   1.876
   26    HA   LEU   4           HA       LEU   4   3.809   8.480   2.872
   27    HB2  LEU   4           HB2      LEU   4   5.625   7.432   1.543
   28    HB3  LEU   4           HB3      LEU   4   4.575   7.411   0.127
   29    HG   LEU   4           HG       LEU   4   4.581   9.867   0.020
   30   HD11  LEU   4          HD11      LEU   4   6.406   9.741   2.476
   31   HD12  LEU   4          HD12      LEU   4   6.092  11.191   1.495
   32   HD13  LEU   4          HD13      LEU   4   4.780  10.450   2.412
   33   HD21  LEU   4          HD21      LEU   4   6.931  10.170  -0.585
   34   HD22  LEU   4          HD22      LEU   4   7.378   8.708   0.317
   35   HD23  LEU   4          HD23      LEU   4   6.342   8.590  -1.121
   36    H    GLU   5           H        GLU   5   1.441   6.857   0.949
   37    HA   GLU   5           HA       GLU   5   0.277   9.406  -0.053
   38    HB2  GLU   5           HB2      GLU   5   0.961   7.645  -1.693
   39    HB3  GLU   5           HB3      GLU   5  -0.198   6.538  -0.952
   40    HG2  GLU   5           HG2      GLU   5  -2.059   7.939  -1.658
   41    HG3  GLU   5           HG3      GLU   5  -0.954   9.223  -2.172
   42    H    GLN   6           H        GLN   6  -0.049   6.950   2.357
   43    HA   GLN   6           HA       GLN   6  -2.881   7.382   2.876
   44    HB2  GLN   6           HB2      GLN   6  -2.169   5.231   3.380
   45    HB3  GLN   6           HB3      GLN   6  -0.612   5.757   4.025
   46    HG2  GLN   6           HG2      GLN   6  -1.601   6.641   5.991
   47    HG3  GLN   6           HG3      GLN   6  -3.239   6.295   5.408
   48   HE21  GLN   6          HE21      GLN   6  -2.632   5.310   7.880
   49   HE22  GLN   6          HE22      GLN   6  -2.373   3.584   7.821
   50    H    GLU   7           H        GLU   7   0.327   8.604   3.875
   51    HA   GLU   7           HA       GLU   7  -0.648  10.472   5.894
   52    HB2  GLU   7           HB2      GLU   7   1.844  10.345   4.095
   53    HB3  GLU   7           HB3      GLU   7   1.577  11.575   5.323
   54    HG2  GLU   7           HG2      GLU   7   1.410   9.798   7.075
   55    HG3  GLU   7           HG3      GLU   7   1.922   8.605   5.877
   56    H    PHE   8           H        PHE   8  -0.828  12.799   5.405
   57    HA   PHE   8           HA       PHE   8  -1.919  13.533   2.846
   58    HB2  PHE   8           HB2      PHE   8  -1.607  15.785   3.404
   59    HB3  PHE   8           HB3      PHE   8  -2.170  15.004   4.871
   60    HD1  PHE   8           HD1      PHE   8  -0.385  14.473   6.711
   61    HD2  PHE   8           HD2      PHE   8   0.567  16.736   3.175
   62    HE1  PHE   8           HE1      PHE   8   1.574  15.463   7.883
   63    HE2  PHE   8           HE2      PHE   8   2.540  17.737   4.347
   64    HZ   PHE   8           HZ       PHE   8   3.033  17.101   6.703
   65    H    ALA   9           H        ALA   9  -0.941  14.156   1.042
   66    HA   ALA   9           HA       ALA   9   2.067  14.067   0.967
   67    HB1  ALA   9           HB1      ALA   9   1.610  12.840  -1.158
   68    HB2  ALA   9           HB2      ALA   9   0.977  12.013   0.319
   69    HB3  ALA   9           HB3      ALA   9  -0.133  12.932  -0.747
   70    H    LEU  10           H        LEU  10   3.058  15.472  -0.551
   71    HA   LEU  10           HA       LEU  10   1.458  17.780  -1.099
   72    HB2  LEU  10           HB2      LEU  10   4.298  17.264  -1.130
   73    HB3  LEU  10           HB3      LEU  10   3.798  17.956  -2.691
   74    HG   LEU  10           HG       LEU  10   3.219  19.165   0.032
   75   HD11  LEU  10          HD11      LEU  10   4.740  20.961  -0.766
   76   HD12  LEU  10          HD12      LEU  10   5.537  19.385  -0.595
   77   HD13  LEU  10          HD13      LEU  10   5.122  19.980  -2.208
   78   HD21  LEU  10          HD21      LEU  10   2.287  19.887  -2.764
   79   HD22  LEU  10          HD22      LEU  10   1.340  19.807  -1.284
   80   HD23  LEU  10          HD23      LEU  10   2.465  21.145  -1.516
   81    H    GLY  11           H        GLY  11  -0.103  17.345  -2.291
   82    HA2  GLY  11           HA2      GLY  11  -1.199  17.437  -4.345
   83    HA3  GLY  11           HA3      GLY  11   0.264  16.885  -5.208
   84    H    GLY  12           H        GLY  12  -1.008  15.360  -2.199
   85    HA2  GLY  12           HA2      GLY  12  -1.569  12.856  -3.663
   86    HA3  GLY  12           HA3      GLY  12  -1.819  13.193  -1.929
   87    H    ARG  13           H        ARG  13  -3.915  12.083  -3.087
   88    HA   ARG  13           HA       ARG  13  -5.800  14.287  -3.793
   89    HB2  ARG  13           HB2      ARG  13  -5.844  11.265  -4.078
   90    HB3  ARG  13           HB3      ARG  13  -7.349  12.183  -3.859
   91    HG2  ARG  13           HG2      ARG  13  -6.985  13.358  -5.920
   92    HG3  ARG  13           HG3      ARG  13  -5.377  12.596  -6.132
   93    HD2  ARG  13           HD2      ARG  13  -6.433  10.347  -6.054
   94    HD3  ARG  13           HD3      ARG  13  -8.015  11.091  -5.828
   95    HE   ARG  13           HE       ARG  13  -6.806  12.114  -8.217
   96   HH11  ARG  13          HH11      ARG  13  -8.275   9.117  -6.994
   97   HH12  ARG  13          HH12      ARG  13  -8.831   8.582  -8.538
   98   HH21  ARG  13          HH21      ARG  13  -7.531  11.401 -10.293
   99   HH22  ARG  13          HH22      ARG  13  -8.359   9.896 -10.461
  100    H    CYS  14           H        CYS  14  -7.587  14.171  -2.280
  101    HA   CYS  14           HA       CYS  14  -7.161  12.679   0.227
  102    HB2  CYS  14           HB2      CYS  14  -7.504  14.986   1.394
  103    HB3  CYS  14           HB3      CYS  14  -5.899  14.490   0.886
  104    HG   CYS  14           HG       CYS  14  -5.784  15.737  -1.300
  105    H    LEU  15           H        LEU  15  -8.967  13.510   1.787
  106    HA   LEU  15           HA       LEU  15 -11.582  13.659   0.381
  107    HB2  LEU  15           HB2      LEU  15 -10.627  11.427   2.242
  108    HB3  LEU  15           HB3      LEU  15 -12.271  11.643   1.686
  109    HG   LEU  15           HG       LEU  15  -9.834  11.077  -0.016
  110   HD11  LEU  15          HD11      LEU  15 -11.961   9.282   1.072
  111   HD12  LEU  15          HD12      LEU  15 -11.229   8.955  -0.503
  112   HD13  LEU  15          HD13      LEU  15 -10.181   9.083   0.906
  113   HD21  LEU  15          HD21      LEU  15 -12.710  10.997  -1.021
  114   HD22  LEU  15          HD22      LEU  15 -11.602  12.321  -1.296
  115   HD23  LEU  15          HD23      LEU  15 -11.233  10.733  -1.956
  116    H    ALA  16           H        ALA  16 -12.693  15.103   1.478
  117    HA   ALA  16           HA       ALA  16 -11.933  15.584   4.320
  118    HB1  ALA  16           HB1      ALA  16 -10.955  17.399   3.043
  119    HB2  ALA  16           HB2      ALA  16 -12.450  17.624   2.116
  120    HB3  ALA  16           HB3      ALA  16 -12.379  18.037   3.852
  121    H    PHE  17           H        PHE  17 -13.349  15.442   5.711
  122    HA   PHE  17           HA       PHE  17 -15.975  14.502   4.954
  123    HB2  PHE  17           HB2      PHE  17 -14.103  14.009   7.023
  124    HB3  PHE  17           HB3      PHE  17 -15.496  14.709   7.828
  125    HD1  PHE  17           HD1      PHE  17 -17.832  13.617   6.464
  126    HD2  PHE  17           HD2      PHE  17 -14.015  11.725   7.192
  127    HE1  PHE  17           HE1      PHE  17 -18.900  11.462   6.430
  128    HE2  PHE  17           HE2      PHE  17 -15.134   9.513   7.152
  129    HZ   PHE  17           HZ       PHE  17 -17.565   9.361   6.822
  130    H    HIS  18           H        HIS  18 -17.820  15.644   4.934
  131    HA   HIS  18           HA       HIS  18 -17.801  18.434   6.007
  132    HB2  HIS  18           HB2      HIS  18 -19.559  16.951   4.024
  133    HB3  HIS  18           HB3      HIS  18 -20.157  18.363   4.899
  134    HD2  HIS  18           HD2      HIS  18 -16.711  17.733   3.109
  135    HE1  HIS  18           HE1      HIS  18 -18.246  21.460   1.754
  136    HE2  HIS  18           HE2      HIS  18 -16.288  19.855   1.632
  137    H    GLY  19           H        GLY  19 -19.763  15.401   6.126
  138    HA2  GLY  19           HA2      GLY  19 -20.165  15.093   8.802
  139    HA3  GLY  19           HA3      GLY  19 -21.314  16.377   8.419
  140    HA   PRO  20           HA       PRO  20 -24.111  13.350   6.701
  141    HB2  PRO  20           HB2      PRO  20 -24.906  14.352   4.237
  142    HB3  PRO  20           HB3      PRO  20 -25.531  14.924   5.820
  143    HG2  PRO  20           HG2      PRO  20 -23.367  16.142   4.090
  144    HG3  PRO  20           HG3      PRO  20 -24.684  16.973   4.977
  145    HD2  PRO  20           HD2      PRO  20 -22.146  16.851   5.946
  146    HD3  PRO  20           HD3      PRO  20 -23.563  16.761   7.032
  147    H    LEU  21           H        LEU  21 -21.588  14.558   4.467
  148    HA   LEU  21           HA       LEU  21 -20.824  11.829   3.912
  149    HB2  LEU  21           HB2      LEU  21 -22.365  13.279   1.968
  150    HB3  LEU  21           HB3      LEU  21 -20.721  13.409   1.410
  151    HG   LEU  21           HG       LEU  21 -21.121  10.700   2.263
  152   HD11  LEU  21          HD11      LEU  21 -23.501  11.158   2.166
  153   HD12  LEU  21          HD12      LEU  21 -23.339  11.559   0.428
  154   HD13  LEU  21          HD13      LEU  21 -22.990   9.917   1.046
  155   HD21  LEU  21          HD21      LEU  21 -20.818  11.869  -0.523
  156   HD22  LEU  21          HD22      LEU  21 -19.524  11.172   0.474
  157   HD23  LEU  21          HD23      LEU  21 -20.779  10.117  -0.166
  158    H    MET  22           H        MET  22 -18.834  12.148   2.194
  159    HA   MET  22           HA       MET  22 -17.092  14.336   3.192
  160    HB2  MET  22           HB2      MET  22 -16.161  12.286   4.044
  161    HB3  MET  22           HB3      MET  22 -16.544  11.411   2.560
  162    HG2  MET  22           HG2      MET  22 -14.592  13.666   2.535
  163    HG3  MET  22           HG3      MET  22 -14.144  12.059   2.994
  164    HE1  MET  22           HE1      MET  22 -14.364  10.058   1.752
  165    HE2  MET  22           HE2      MET  22 -15.823  10.163   0.728
  166    HE3  MET  22           HE3      MET  22 -14.190   9.916   0.006
  167    H    TYR  23           H        TYR  23 -15.613  14.995   1.403
  168    HA   TYR  23           HA       TYR  23 -16.602  14.338  -1.241
  169    HB2  TYR  23           HB2      TYR  23 -16.556  17.216  -0.272
  170    HB3  TYR  23           HB3      TYR  23 -16.745  16.717  -1.958
  171    HD1  TYR  23           HD1      TYR  23 -18.654  14.607  -2.083
  172    HD2  TYR  23           HD2      TYR  23 -18.608  17.930   0.671
  173    HE1  TYR  23           HE1      TYR  23 -21.024  14.179  -1.526
  174    HE2  TYR  23           HE2      TYR  23 -21.005  17.548   1.177
  175    HH   TYR  23           HH       TYR  23 -22.810  14.772  -0.268
  176    H    GLU  24           H        GLU  24 -15.162  14.691  -2.834
  177    HA   GLU  24           HA       GLU  24 -12.597  13.926  -1.859
  178    HB2  GLU  24           HB2      GLU  24 -14.038  13.014  -3.769
  179    HB3  GLU  24           HB3      GLU  24 -13.524  14.388  -4.730
  180    HG2  GLU  24           HG2      GLU  24 -11.288  13.582  -4.870
  181    HG3  GLU  24           HG3      GLU  24 -11.471  12.529  -3.484
  182    H    ALA  25           H        ALA  25 -10.589  14.844  -2.222
  183    HA   ALA  25           HA       ALA  25 -10.569  17.750  -2.679
  184    HB1  ALA  25           HB1      ALA  25 -10.836  17.425  -0.273
  185    HB2  ALA  25           HB2      ALA  25  -9.583  16.197  -0.218
  186    HB3  ALA  25           HB3      ALA  25  -9.149  17.855  -0.535
  187    H    LYS  26           H        LYS  26  -8.234  18.507  -2.978
  188    HA   LYS  26           HA       LYS  26  -6.242  16.417  -3.496
  189    HB2  LYS  26           HB2      LYS  26  -7.421  16.834  -5.725
  190    HB3  LYS  26           HB3      LYS  26  -6.888  18.510  -5.619
  191    HG2  LYS  26           HG2      LYS  26  -4.498  17.251  -5.191
  192    HG3  LYS  26           HG3      LYS  26  -5.326  15.980  -6.114
  193    HD2  LYS  26           HD2      LYS  26  -4.127  17.289  -7.715
  194    HD3  LYS  26           HD3      LYS  26  -5.801  17.853  -7.842
  195    HE2  LYS  26           HE2      LYS  26  -4.605  19.874  -7.685
  196    HE3  LYS  26           HE3      LYS  26  -5.130  19.577  -6.008
  197    HZ1  LYS  26           HZ1      LYS  26  -2.768  20.255  -6.268
  198    HZ2  LYS  26           HZ2      LYS  26  -2.961  18.896  -5.417
  199    HZ3  LYS  26           HZ3      LYS  26  -2.436  18.822  -6.984
  200    H    ILE  27           H        ILE  27  -4.589  17.108  -2.280
  201    HA   ILE  27           HA       ILE  27  -4.525  19.700  -1.021
  202    HB   ILE  27           HB       ILE  27  -2.644  17.321  -1.200
  203   HG12  ILE  27          HG12      ILE  27  -3.570  18.056   1.494
  204   HG13  ILE  27          HG13      ILE  27  -4.903  17.793   0.460
  205   HG21  ILE  27          HG21      ILE  27  -2.370  19.831   0.526
  206   HG22  ILE  27          HG22      ILE  27  -1.401  18.364   0.751
  207   HG23  ILE  27          HG23      ILE  27  -1.222  19.309  -0.730
  208   HD11  ILE  27          HD11      ILE  27  -2.625  15.814   1.050
  209   HD12  ILE  27          HD12      ILE  27  -4.304  15.827   1.704
  210   HD13  ILE  27          HD13      ILE  27  -3.970  15.461  -0.032
  211    H    LEU  28           H        LEU  28  -3.502  21.589  -1.692
  212    HA   LEU  28           HA       LEU  28  -1.353  21.428  -3.753
  213    HB2  LEU  28           HB2      LEU  28  -3.480  22.124  -4.701
  214    HB3  LEU  28           HB3      LEU  28  -3.790  23.273  -3.425
  215    HG   LEU  28           HG       LEU  28  -1.494  23.638  -5.393
  216   HD11  LEU  28          HD11      LEU  28  -4.378  24.656  -5.390
  217   HD12  LEU  28          HD12      LEU  28  -3.133  25.069  -6.609
  218   HD13  LEU  28          HD13      LEU  28  -3.751  23.414  -6.480
  219   HD21  LEU  28          HD21      LEU  28  -1.835  26.086  -4.899
  220   HD22  LEU  28          HD22      LEU  28  -2.946  25.674  -3.582
  221   HD23  LEU  28          HD23      LEU  28  -1.245  25.198  -3.532
  222    H    LYS  29           H        LYS  29  -2.831  23.880  -1.593
  223    HA   LYS  29           HA       LYS  29  -0.067  24.791  -0.971
  224    HB2  LYS  29           HB2      LYS  29  -2.643  26.147  -1.354
  225    HB3  LYS  29           HB3      LYS  29  -1.998  26.507   0.252
  226    HG2  LYS  29           HG2      LYS  29  -0.064  27.516  -0.651
  227    HG3  LYS  29           HG3      LYS  29  -0.290  26.720  -2.214
  228    HD2  LYS  29           HD2      LYS  29  -0.751  29.095  -2.358
  229    HD3  LYS  29           HD3      LYS  29  -2.130  28.088  -2.826
  230    HE2  LYS  29           HE2      LYS  29  -3.201  28.416  -0.670
  231    HE3  LYS  29           HE3      LYS  29  -1.746  29.305  -0.076
  232    HZ1  LYS  29           HZ1      LYS  29  -2.190  30.936  -1.898
  233    HZ2  LYS  29           HZ2      LYS  29  -3.648  30.227  -2.152
  234    HZ3  LYS  29           HZ3      LYS  29  -3.300  30.985  -0.735
  235    H    ILE  30           H        ILE  30   0.712  24.331   1.106
  236    HA   ILE  30           HA       ILE  30  -1.338  23.311   2.978
  237    HB   ILE  30           HB       ILE  30  -0.082  21.604   3.855
  238   HG12  ILE  30          HG12      ILE  30   2.245  22.633   3.471
  239   HG13  ILE  30          HG13      ILE  30   2.046  20.883   3.424
  240   HG21  ILE  30          HG21      ILE  30  -0.102  21.350   0.808
  241   HG22  ILE  30          HG22      ILE  30  -0.146  20.034   2.000
  242   HG23  ILE  30          HG23      ILE  30  -1.477  21.234   1.897
  243   HD11  ILE  30          HD11      ILE  30   2.048  20.837   1.034
  244   HD12  ILE  30          HD12      ILE  30   2.052  22.616   0.939
  245   HD13  ILE  30          HD13      ILE  30   3.474  21.736   1.579
  246    H    TRP  31           H        TRP  31  -0.617  23.257   5.039
  247    HA   TRP  31           HA       TRP  31   0.891  25.749   5.805
  248    HB2  TRP  31           HB2      TRP  31  -1.137  26.742   5.459
  249    HB3  TRP  31           HB3      TRP  31  -2.049  25.331   5.902
  250    HD1  TRP  31           HD1      TRP  31  -2.123  24.851   8.715
  251    HE1  TRP  31           HE1      TRP  31  -2.496  26.558  10.588
  252    HE3  TRP  31           HE3      TRP  31  -0.652  29.109   6.267
  253    HZ2  TRP  31           HZ2      TRP  31  -2.275  29.360  10.959
  254    HZ3  TRP  31           HZ3      TRP  31  -0.769  31.297   7.428
  255    HH2  TRP  31           HH2      TRP  31  -1.637  31.442   9.764
  256    H    ASP  32           H        ASP  32   1.285  26.033   7.999
  257    HA   ASP  32           HA       ASP  32   1.321  23.666   9.702
  258    HB2  ASP  32           HB2      ASP  32   3.232  23.369   8.205
  259    HB3  ASP  32           HB3      ASP  32   3.781  25.020   8.503
  260    HA   PRO  33           HA       PRO  33   0.786  27.494  12.094
  261    HB2  PRO  33           HB2      PRO  33   0.369  26.296  14.593
  262    HB3  PRO  33           HB3      PRO  33  -0.873  26.611  13.361
  263    HG2  PRO  33           HG2      PRO  33   0.743  24.080  13.834
  264    HG3  PRO  33           HG3      PRO  33  -1.026  24.211  13.541
  265    HD2  PRO  33           HD2      PRO  33   0.667  23.488  11.620
  266    HD3  PRO  33           HD3      PRO  33  -0.692  24.595  11.242
  267    H    SER  34           H        SER  34   3.330  25.263  12.240
  268    HA   SER  34           HA       SER  34   4.790  26.232  14.531
  269    HB2  SER  34           HB2      SER  34   5.960  25.064  11.986
  270    HB3  SER  34           HB3      SER  34   6.681  25.089  13.601
  271    HG   SER  34           HG       SER  34   4.531  23.549  12.601
  272    H    SER  35           H        SER  35   4.246  27.477  11.291
  273    HA   SER  35           HA       SER  35   5.856  29.888  11.991
  274    HB2  SER  35           HB2      SER  35   5.430  28.731   9.210
  275    HB3  SER  35           HB3      SER  35   6.427  30.130   9.648
  276    HG   SER  35           HG       SER  35   7.665  28.198   9.374
  277    H    LYS  36           H        LYS  36   2.748  28.636  11.214
  278    HA   LYS  36           HA       LYS  36   0.842  29.418  10.437
  279    HB2  LYS  36           HB2      LYS  36   1.754  31.702  12.177
  280    HB3  LYS  36           HB3      LYS  36   0.343  31.976  11.186
  281    HG2  LYS  36           HG2      LYS  36  -1.030  30.587  12.270
  282    HG3  LYS  36           HG3      LYS  36   0.205  29.411  12.669
  283    HD2  LYS  36           HD2      LYS  36  -0.065  32.122  14.028
  284    HD3  LYS  36           HD3      LYS  36  -0.740  30.604  14.653
  285    HE2  LYS  36           HE2      LYS  36   1.495  29.598  14.761
  286    HE3  LYS  36           HE3      LYS  36   2.228  31.044  14.073
  287    HZ1  LYS  36           HZ1      LYS  36   2.428  30.979  16.485
  288    HZ2  LYS  36           HZ2      LYS  36   1.520  32.262  16.050
  289    HZ3  LYS  36           HZ3      LYS  36   0.808  30.925  16.677
  290    H    MET  37           H        MET  37   2.551  29.225   8.515
  291    HA   MET  37           HA       MET  37   1.628  31.160   6.572
  292    HB2  MET  37           HB2      MET  37   4.584  30.532   6.923
  293    HB3  MET  37           HB3      MET  37   3.878  31.410   5.554
  294    HG2  MET  37           HG2      MET  37   3.022  33.143   7.178
  295    HG3  MET  37           HG3      MET  37   3.907  32.314   8.450
  296    HE1  MET  37           HE1      MET  37   7.579  32.734   6.667
  297    HE2  MET  37           HE2      MET  37   6.601  31.608   7.692
  298    HE3  MET  37           HE3      MET  37   6.309  31.734   5.953
  299    H    TYR  38           H        TYR  38   2.495  30.140   4.342
  300    HA   TYR  38           HA       TYR  38   1.772  27.267   4.503
  301    HB2  TYR  38           HB2      TYR  38   0.523  27.664   2.435
  302    HB3  TYR  38           HB3      TYR  38   0.013  28.704   3.758
  303    HD1  TYR  38           HD1      TYR  38   1.880  28.614   0.532
  304    HD2  TYR  38           HD2      TYR  38   0.410  31.036   3.749
  305    HE1  TYR  38           HE1      TYR  38   2.305  30.613  -0.841
  306    HE2  TYR  38           HE2      TYR  38   1.089  33.087   2.468
  307    HH   TYR  38           HH       TYR  38   1.849  33.945   0.610
  308    H    THR  39           H        THR  39   2.115  26.409   2.007
  309    HA   THR  39           HA       THR  39   4.563  27.162   0.717
  310    HB   THR  39           HB       THR  39   5.351  24.697   0.782
  311    HG1  THR  39           HG1      THR  39   4.813  23.534   2.623
  312   HG21  THR  39          HG21      THR  39   6.795  25.016   2.637
  313   HG22  THR  39          HG22      THR  39   6.484  26.636   1.988
  314   HG23  THR  39          HG23      THR  39   5.640  26.092   3.456
  315    H    SER  40           H        SER  40   4.649  25.803  -1.330
  316    HA   SER  40           HA       SER  40   2.328  24.150  -2.062
  317    HB2  SER  40           HB2      SER  40   1.755  26.709  -2.401
  318    HB3  SER  40           HB3      SER  40   2.810  26.490  -3.812
  319    HG   SER  40           HG       SER  40   0.638  26.009  -4.315
  320    H    ILE  41           H        ILE  41   2.598  23.639  -4.428
  321    HA   ILE  41           HA       ILE  41   5.145  24.111  -5.655
  322    HB   ILE  41           HB       ILE  41   5.350  21.571  -6.238
  323   HG12  ILE  41          HG12      ILE  41   4.803  20.012  -4.457
  324   HG13  ILE  41          HG13      ILE  41   3.853  21.257  -3.623
  325   HG21  ILE  41          HG21      ILE  41   6.117  22.408  -3.435
  326   HG22  ILE  41          HG22      ILE  41   6.892  21.190  -4.455
  327   HG23  ILE  41          HG23      ILE  41   6.975  22.892  -4.915
  328   HD11  ILE  41          HD11      ILE  41   3.274  20.490  -6.475
  329   HD12  ILE  41          HD12      ILE  41   2.663  19.490  -5.131
  330   HD13  ILE  41          HD13      ILE  41   2.168  21.188  -5.258
  331    HA   PRO  42           HA       PRO  42   2.509  24.466  -9.149
  332    HB2  PRO  42           HB2      PRO  42   4.264  23.787 -11.260
  333    HB3  PRO  42           HB3      PRO  42   4.282  25.319 -10.358
  334    HG2  PRO  42           HG2      PRO  42   5.915  22.832  -9.817
  335    HG3  PRO  42           HG3      PRO  42   6.478  24.530  -9.957
  336    HD2  PRO  42           HD2      PRO  42   6.047  23.517  -7.525
  337    HD3  PRO  42           HD3      PRO  42   5.310  25.125  -7.874
  338    H    ASN  43           H        ASN  43   2.287  21.718  -7.891
  339    HA   ASN  43           HA       ASN  43   1.958  19.772  -9.992
  340    HB2  ASN  43           HB2      ASN  43   2.131  19.007  -7.701
  341    HB3  ASN  43           HB3      ASN  43   0.771  20.019  -7.195
  342   HD21  ASN  43          HD21      ASN  43   1.590  17.209  -9.352
  343   HD22  ASN  43          HD22      ASN  43   0.018  16.466  -9.184
  344    H    ASP  44           H        ASP  44  -0.065  22.479  -8.891
  345    HA   ASP  44           HA       ASP  44  -2.047  21.840 -10.951
  346    HB2  ASP  44           HB2      ASP  44  -2.603  20.523  -8.830
  347    HB3  ASP  44           HB3      ASP  44  -3.011  22.067  -8.099
  348    H    LYS  45           H        LYS  45  -4.068  23.649  -9.901
  349    HA   LYS  45           HA       LYS  45  -2.756  26.254 -10.488
  350    HB2  LYS  45           HB2      LYS  45  -5.155  24.952 -11.836
  351    HB3  LYS  45           HB3      LYS  45  -4.685  26.637 -12.022
  352    HG2  LYS  45           HG2      LYS  45  -2.413  25.810 -12.845
  353    HG3  LYS  45           HG3      LYS  45  -3.089  24.172 -12.849
  354    HD2  LYS  45           HD2      LYS  45  -4.857  24.909 -14.437
  355    HD3  LYS  45           HD3      LYS  45  -4.178  26.552 -14.418
  356    HE2  LYS  45           HE2      LYS  45  -2.022  25.682 -15.278
  357    HE3  LYS  45           HE3      LYS  45  -2.693  24.048 -15.316
  358    HZ1  LYS  45           HZ1      LYS  45  -3.676  26.342 -16.915
  359    HZ2  LYS  45           HZ2      LYS  45  -2.792  25.098 -17.484
  360    HZ3  LYS  45           HZ3      LYS  45  -4.314  24.834 -16.950
  361    HA   PRO  46           HA       PRO  46  -5.416  26.573  -6.776
  362    HB2  PRO  46           HB2      PRO  46  -4.500  29.016  -5.872
  363    HB3  PRO  46           HB3      PRO  46  -3.673  27.452  -5.543
  364    HG2  PRO  46           HG2      PRO  46  -3.071  29.521  -7.658
  365    HG3  PRO  46           HG3      PRO  46  -1.900  28.626  -6.633
  366    HD2  PRO  46           HD2      PRO  46  -2.451  27.937  -9.218
  367    HD3  PRO  46           HD3      PRO  46  -2.117  26.681  -7.984
  368    H    GLY  47           H        GLY  47  -7.491  27.262  -6.946
  369    HA2  GLY  47           HA2      GLY  47  -9.263  28.681  -7.070
  370    HA3  GLY  47           HA3      GLY  47  -8.088  30.004  -7.099
  371    H    GLY  48           H        GLY  48  -7.108  28.471  -9.720
  372    HA2  GLY  48           HA2      GLY  48  -8.103  28.379 -12.004
  373    HA3  GLY  48           HA3      GLY  48  -8.977  29.860 -11.610
  374    H    SER  49           H        SER  49  -6.062  30.307 -10.060
  375    HA   SER  49           HA       SER  49  -4.914  32.063 -12.004
  376    HB2  SER  49           HB2      SER  49  -3.675  30.740  -9.553
  377    HB3  SER  49           HB3      SER  49  -3.038  32.142 -10.421
  378    HG   SER  49           HG       SER  49  -4.282  32.721  -8.555
  379    H    SER  50           H        SER  50  -2.699  31.779 -12.887
  380    HA   SER  50           HA       SER  50  -2.773  29.817 -14.803
  381    HB2  SER  50           HB2      SER  50  -0.245  31.219 -13.869
  382    HB3  SER  50           HB3      SER  50  -0.625  30.636 -15.504
  383    HG   SER  50           HG       SER  50  -0.964  32.900 -15.290
  384    H    GLN  51           H        GLN  51  -0.791  29.669 -11.785
  385    HA   GLN  51           HA       GLN  51  -0.919  26.900 -11.547
  386    HB2  GLN  51           HB2      GLN  51   1.019  27.583 -13.482
  387    HB3  GLN  51           HB3      GLN  51   1.972  27.484 -12.009
  388    HG2  GLN  51           HG2      GLN  51   1.188  25.213 -11.587
  389    HG3  GLN  51           HG3      GLN  51   0.036  25.309 -12.926
  390   HE21  GLN  51          HE21      GLN  51   2.221  23.298 -12.565
  391   HE22  GLN  51          HE22      GLN  51   3.202  23.455 -14.005
  392    H    ALA  52           H        ALA  52   0.223  26.322  -9.569
  393    HA   ALA  52           HA       ALA  52   0.703  28.524  -7.669
  394    HB1  ALA  52           HB1      ALA  52  -0.232  26.470  -6.793
  395    HB2  ALA  52           HB2      ALA  52   1.075  25.504  -7.516
  396    HB3  ALA  52           HB3      ALA  52   1.439  26.662  -6.209
  397    H    THR  53           H        THR  53   2.491  29.712  -8.292
  398    HA   THR  53           HA       THR  53   4.469  28.649  -9.944
  399    HB   THR  53           HB       THR  53   4.890  31.212  -8.400
  400    HG1  THR  53           HG1      THR  53   3.526  32.199  -9.823
  401   HG21  THR  53          HG21      THR  53   5.841  31.868 -10.639
  402   HG22  THR  53          HG22      THR  53   6.693  30.491  -9.921
  403   HG23  THR  53          HG23      THR  53   5.519  30.219 -11.224
  404    H    LYS  54           H        LYS  54   5.785  27.094  -9.411
  405    HA   LYS  54           HA       LYS  54   7.515  25.939  -8.588
  406    HB2  LYS  54           HB2      LYS  54   8.544  28.704  -7.860
  407    HB3  LYS  54           HB3      LYS  54   9.514  27.230  -7.877
  408    HG2  LYS  54           HG2      LYS  54   8.913  26.880 -10.294
  409    HG3  LYS  54           HG3      LYS  54   8.081  28.440 -10.265
  410    HD2  LYS  54           HD2      LYS  54  10.224  28.882 -11.173
  411    HD3  LYS  54           HD3      LYS  54  10.256  29.507  -9.513
  412    HE2  LYS  54           HE2      LYS  54  11.456  27.473  -8.761
  413    HE3  LYS  54           HE3      LYS  54  11.359  26.797 -10.391
  414    HZ1  LYS  54           HZ1      LYS  54  12.740  28.638 -11.163
  415    HZ2  LYS  54           HZ2      LYS  54  12.835  29.257  -9.647
  416    HZ3  LYS  54           HZ3      LYS  54  13.502  27.808  -9.987
  417    H    GLU  55           H        GLU  55   9.198  26.013  -6.472
  418    HA   GLU  55           HA       GLU  55   7.573  25.007  -4.276
  419    HB2  GLU  55           HB2      GLU  55  10.542  25.641  -4.545
  420    HB3  GLU  55           HB3      GLU  55   9.787  24.967  -3.090
  421    HG2  GLU  55           HG2      GLU  55   9.149  22.947  -4.288
  422    HG3  GLU  55           HG3      GLU  55   9.714  23.607  -5.824
  423    H    ILE  56           H        ILE  56   6.306  26.536  -3.295
  424    HA   ILE  56           HA       ILE  56   7.166  29.314  -3.302
  425    HB   ILE  56           HB       ILE  56   4.756  28.191  -1.829
  426   HG12  ILE  56          HG12      ILE  56   5.029  29.225  -4.691
  427   HG13  ILE  56          HG13      ILE  56   4.649  27.575  -4.205
  428   HG21  ILE  56          HG21      ILE  56   5.342  30.440  -1.099
  429   HG22  ILE  56          HG22      ILE  56   5.593  30.986  -2.778
  430   HG23  ILE  56          HG23      ILE  56   3.982  30.616  -2.183
  431   HD11  ILE  56          HD11      ILE  56   2.883  30.005  -4.096
  432   HD12  ILE  56          HD12      ILE  56   2.626  28.393  -4.823
  433   HD13  ILE  56          HD13      ILE  56   2.558  28.625  -3.026
  434    H    LYS  57           H        LYS  57   8.115  30.429  -1.704
  435    HA   LYS  57           HA       LYS  57   9.274  28.986   0.571
  436    HB2  LYS  57           HB2      LYS  57   9.366  31.897  -0.362
  437    HB3  LYS  57           HB3      LYS  57  10.164  31.305   1.106
  438    HG2  LYS  57           HG2      LYS  57  11.458  29.665  -0.286
  439    HG3  LYS  57           HG3      LYS  57  10.789  30.401  -1.748
  440    HD2  LYS  57           HD2      LYS  57  12.473  31.819   0.372
  441    HD3  LYS  57           HD3      LYS  57  13.093  31.208  -1.157
  442    HE2  LYS  57           HE2      LYS  57  10.950  33.374  -0.912
  443    HE3  LYS  57           HE3      LYS  57  12.674  33.680  -1.110
  444    HZ1  LYS  57           HZ1      LYS  57  12.596  32.540  -3.234
  445    HZ2  LYS  57           HZ2      LYS  57  10.991  32.252  -3.086
  446    HZ3  LYS  57           HZ3      LYS  57  11.538  33.780  -3.216
  447    HA   PRO  58           HA       PRO  58   5.724  30.008   3.001
  448    HB2  PRO  58           HB2      PRO  58   7.743  30.327   5.247
  449    HB3  PRO  58           HB3      PRO  58   6.189  29.416   5.273
  450    HG2  PRO  58           HG2      PRO  58   8.584  28.168   5.086
  451    HG3  PRO  58           HG3      PRO  58   7.192  27.629   4.087
  452    HD2  PRO  58           HD2      PRO  58   9.488  29.437   3.310
  453    HD3  PRO  58           HD3      PRO  58   8.749  28.072   2.398
  454    H    GLN  59           H        GLN  59   4.721  31.898   3.113
  455    HA   GLN  59           HA       GLN  59   6.186  34.396   3.797
  456    HB2  GLN  59           HB2      GLN  59   4.630  33.750   1.263
  457    HB3  GLN  59           HB3      GLN  59   4.813  35.412   1.828
  458    HG2  GLN  59           HG2      GLN  59   7.164  35.415   1.524
  459    HG3  GLN  59           HG3      GLN  59   7.257  33.664   1.398
  460   HE21  GLN  59          HE21      GLN  59   6.502  32.581  -0.496
  461   HE22  GLN  59          HE22      GLN  59   6.354  33.444  -2.027
  462    H    LYS  60           H        LYS  60   4.884  35.844   4.876
  463    HA   LYS  60           HA       LYS  60   2.447  35.157   6.064
  464    HB2  LYS  60           HB2      LYS  60   3.494  37.901   5.248
  465    HB3  LYS  60           HB3      LYS  60   2.045  37.677   6.216
  466    HG2  LYS  60           HG2      LYS  60   4.861  36.813   6.994
  467    HG3  LYS  60           HG3      LYS  60   4.009  38.228   7.603
  468    HD2  LYS  60           HD2      LYS  60   3.255  35.324   8.118
  469    HD3  LYS  60           HD3      LYS  60   4.039  36.431   9.244
  470    HE2  LYS  60           HE2      LYS  60   2.043  37.892   9.234
  471    HE3  LYS  60           HE3      LYS  60   1.242  36.812   8.084
  472    HZ1  LYS  60           HZ1      LYS  60   1.345  35.055   9.760
  473    HZ2  LYS  60           HZ2      LYS  60   2.075  36.065  10.828
  474    HZ3  LYS  60           HZ3      LYS  60   0.545  36.358  10.341
  475    H    LEU  61           H        LEU  61   0.420  35.066   5.471
  476    HA   LEU  61           HA       LEU  61  -0.244  35.364   2.626
  477    HB2  LEU  61           HB2      LEU  61  -1.130  33.347   2.797
  478    HB3  LEU  61           HB3      LEU  61  -0.168  33.189   4.259
  479    HG   LEU  61           HG       LEU  61  -3.143  33.805   4.214
  480   HD11  LEU  61          HD11      LEU  61  -3.473  31.646   4.669
  481   HD12  LEU  61          HD12      LEU  61  -2.256  31.594   3.402
  482   HD13  LEU  61          HD13      LEU  61  -1.756  31.303   5.080
  483   HD21  LEU  61          HD21      LEU  61  -2.168  34.805   6.231
  484   HD22  LEU  61          HD22      LEU  61  -2.999  33.302   6.645
  485   HD23  LEU  61          HD23      LEU  61  -1.222  33.334   6.528
  486    H    GLY  62           H        GLY  62  -2.922  35.146   2.590
  487    HA2  GLY  62           HA2      GLY  62  -4.887  35.892   3.581
  488    HA3  GLY  62           HA3      GLY  62  -4.067  37.222   4.399
  489    H    GLU  63           H        GLU  63  -3.752  36.363   0.934
  490    HA   GLU  63           HA       GLU  63  -4.656  39.053   0.159
  491    HB2  GLU  63           HB2      GLU  63  -4.311  38.329  -2.131
  492    HB3  GLU  63           HB3      GLU  63  -2.879  38.075  -1.135
  493    HG2  GLU  63           HG2      GLU  63  -3.340  35.666  -1.024
  494    HG3  GLU  63           HG3      GLU  63  -4.849  35.881  -1.925
  495    H    ASP  64           H        ASP  64  -5.950  35.777   0.474
  496    HA   ASP  64           HA       ASP  64  -8.703  36.754   0.326
  497    HB2  ASP  64           HB2      ASP  64  -8.084  36.621  -2.111
  498    HB3  ASP  64           HB3      ASP  64  -7.689  34.923  -1.892
  499    H    GLU  65           H        GLU  65  -6.384  34.180   1.041
  500    HA   GLU  65           HA       GLU  65  -8.525  32.174   1.287
  501    HB2  GLU  65           HB2      GLU  65  -6.695  30.574   1.217
  502    HB3  GLU  65           HB3      GLU  65  -6.491  31.706  -0.110
  503    HG2  GLU  65           HG2      GLU  65  -5.029  31.975   2.555
  504    HG3  GLU  65           HG3      GLU  65  -4.485  30.970   1.218
  505    H    SER  66           H        SER  66  -7.328  34.319   3.397
  506    HA   SER  66           HA       SER  66  -6.003  33.304   5.443
  507    HB2  SER  66           HB2      SER  66  -8.520  34.851   6.017
  508    HB3  SER  66           HB3      SER  66  -7.032  34.756   6.976
  509    HG   SER  66           HG       SER  66  -7.163  36.686   5.653
  510    H    ILE  67           H        ILE  67  -5.976  31.545   6.625
  511    HA   ILE  67           HA       ILE  67  -8.138  29.726   6.805
  512    HB   ILE  67           HB       ILE  67  -6.518  29.067   8.866
  513   HG12  ILE  67          HG12      ILE  67  -4.730  30.776   8.399
  514   HG13  ILE  67          HG13      ILE  67  -4.239  29.121   8.424
  515   HG21  ILE  67          HG21      ILE  67  -5.519  27.394   7.627
  516   HG22  ILE  67          HG22      ILE  67  -7.243  27.561   7.265
  517   HG23  ILE  67          HG23      ILE  67  -6.031  28.225   6.102
  518   HD11  ILE  67          HD11      ILE  67  -3.793  28.977   6.202
  519   HD12  ILE  67          HD12      ILE  67  -4.832  30.352   5.775
  520   HD13  ILE  67          HD13      ILE  67  -3.307  30.621   6.649
  521    HA   PRO  68           HA       PRO  68  -9.951  31.404  10.646
  522    HB2  PRO  68           HB2      PRO  68 -11.777  29.461  11.198
  523    HB3  PRO  68           HB3      PRO  68 -11.990  30.614   9.844
  524    HG2  PRO  68           HG2      PRO  68 -10.962  27.768   9.740
  525    HG3  PRO  68           HG3      PRO  68 -12.155  28.552   8.670
  526    HD2  PRO  68           HD2      PRO  68  -9.473  28.301   8.037
  527    HD3  PRO  68           HD3      PRO  68 -10.481  29.655   7.454
  528    H    GLU  69           H        GLU  69  -9.593  31.039  12.849
  529    HA   GLU  69           HA       GLU  69  -7.373  29.580  13.617
  530    HB2  GLU  69           HB2      GLU  69  -9.622  30.558  15.386
  531    HB3  GLU  69           HB3      GLU  69  -8.020  30.028  15.920
  532    HG2  GLU  69           HG2      GLU  69  -6.957  31.815  14.565
  533    HG3  GLU  69           HG3      GLU  69  -8.551  32.398  14.081
  534    H    GLU  70           H        GLU  70 -10.635  28.469  13.291
  535    HA   GLU  70           HA       GLU  70 -10.820  26.260  14.967
  536    HB2  GLU  70           HB2      GLU  70 -12.592  27.349  13.491
  537    HB3  GLU  70           HB3      GLU  70 -11.877  26.521  12.114
  538    HG2  GLU  70           HG2      GLU  70 -13.779  25.264  12.832
  539    HG3  GLU  70           HG3      GLU  70 -12.353  24.322  13.231
  540    H    ILE  71           H        ILE  71  -9.164  26.528  11.786
  541    HA   ILE  71           HA       ILE  71  -8.435  23.628  12.006
  542    HB   ILE  71           HB       ILE  71  -8.009  23.659   9.622
  543   HG12  ILE  71          HG12      ILE  71  -9.160  26.473   9.579
  544   HG13  ILE  71          HG13      ILE  71  -7.512  26.030   9.166
  545   HG21  ILE  71          HG21      ILE  71 -10.797  24.688  10.226
  546   HG22  ILE  71          HG22      ILE  71 -10.308  23.511   8.990
  547   HG23  ILE  71          HG23      ILE  71 -10.223  23.060  10.694
  548   HD11  ILE  71          HD11      ILE  71 -10.040  25.175   7.658
  549   HD12  ILE  71          HD12      ILE  71  -8.876  26.326   7.104
  550   HD13  ILE  71          HD13      ILE  71  -8.383  24.635   7.266
  551    H    ILE  72           H        ILE  72  -7.097  26.814  12.012
  552    HA   ILE  72           HA       ILE  72  -4.648  26.632  10.931
  553    HB   ILE  72           HB       ILE  72  -6.090  28.156  13.007
  554   HG12  ILE  72          HG12      ILE  72  -4.463  28.599  10.512
  555   HG13  ILE  72          HG13      ILE  72  -6.221  28.551  10.759
  556   HG21  ILE  72          HG21      ILE  72  -4.393  29.615  13.754
  557   HG22  ILE  72          HG22      ILE  72  -4.156  27.992  14.360
  558   HG23  ILE  72          HG23      ILE  72  -3.122  28.592  13.014
  559   HD11  ILE  72          HD11      ILE  72  -5.510  30.741  10.353
  560   HD12  ILE  72          HD12      ILE  72  -5.980  30.629  12.079
  561   HD13  ILE  72          HD13      ILE  72  -4.243  30.624  11.597
  562    H    ASN  73           H        ASN  73  -5.546  25.567  14.067
  563    HA   ASN  73           HA       ASN  73  -3.014  25.201  15.311
  564    HB2  ASN  73           HB2      ASN  73  -4.422  24.015  16.945
  565    HB3  ASN  73           HB3      ASN  73  -5.097  25.586  16.476
  566   HD21  ASN  73          HD21      ASN  73  -7.189  25.669  15.472
  567   HD22  ASN  73          HD22      ASN  73  -8.074  24.245  15.031
  568    H    GLY  74           H        GLY  74  -4.073  23.622  12.701
  569    HA2  GLY  74           HA2      GLY  74  -2.437  21.214  13.276
  570    HA3  GLY  74           HA3      GLY  74  -4.042  20.960  12.573
  571    H    LYS  75           H        LYS  75  -2.040  20.162  11.203
  572    HA   LYS  75           HA       LYS  75  -0.945  21.849   9.197
  573    HB2  LYS  75           HB2      LYS  75  -2.029  19.058   8.845
  574    HB3  LYS  75           HB3      LYS  75  -1.032  19.928   7.673
  575    HG2  LYS  75           HG2      LYS  75   0.011  19.400  10.435
  576    HG3  LYS  75           HG3      LYS  75  -0.042  18.106   9.212
  577    HD2  LYS  75           HD2      LYS  75   2.116  18.845   8.965
  578    HD3  LYS  75           HD3      LYS  75   1.267  19.687   7.680
  579    HE2  LYS  75           HE2      LYS  75   2.748  21.256   8.687
  580    HE3  LYS  75           HE3      LYS  75   1.119  21.705   9.197
  581    HZ1  LYS  75           HZ1      LYS  75   3.087  20.176  10.827
  582    HZ2  LYS  75           HZ2      LYS  75   2.753  21.760  11.025
  583    HZ3  LYS  75           HZ3      LYS  75   1.603  20.635  11.347
  584    H    CYS  76           H        CYS  76  -1.965  22.716   7.359
  585    HA   CYS  76           HA       CYS  76  -4.870  22.083   7.024
  586    HB2  CYS  76           HB2      CYS  76  -3.767  24.913   6.847
  587    HB3  CYS  76           HB3      CYS  76  -5.365  24.391   6.328
  588    HG   CYS  76           HG       CYS  76  -4.058  23.951   9.354
  589    H    PHE  77           H        PHE  77  -5.621  22.117   4.956
  590    HA   PHE  77           HA       PHE  77  -3.542  21.977   2.817
  591    HB2  PHE  77           HB2      PHE  77  -5.857  20.032   3.245
  592    HB3  PHE  77           HB3      PHE  77  -4.576  19.949   2.035
  593    HD1  PHE  77           HD1      PHE  77  -2.247  19.490   2.796
  594    HD2  PHE  77           HD2      PHE  77  -5.547  19.400   5.499
  595    HE1  PHE  77           HE1      PHE  77  -0.707  18.673   4.590
  596    HE2  PHE  77           HE2      PHE  77  -4.116  18.373   7.234
  597    HZ   PHE  77           HZ       PHE  77  -1.690  17.928   6.760
  598    H    PHE  78           H        PHE  78  -4.072  23.666   1.617
  599    HA   PHE  78           HA       PHE  78  -6.771  24.590   0.980
  600    HB2  PHE  78           HB2      PHE  78  -4.625  26.002   0.934
  601    HB3  PHE  78           HB3      PHE  78  -4.195  25.057  -0.474
  602    HD1  PHE  78           HD1      PHE  78  -6.795  27.312   0.952
  603    HD2  PHE  78           HD2      PHE  78  -5.098  25.642  -2.646
  604    HE1  PHE  78           HE1      PHE  78  -8.123  28.900  -0.424
  605    HE2  PHE  78           HE2      PHE  78  -6.395  27.262  -4.003
  606    HZ   PHE  78           HZ       PHE  78  -7.866  28.927  -2.893
  607    H    ILE  79           H        ILE  79  -7.990  23.164  -0.099
  608    HA   ILE  79           HA       ILE  79  -6.652  21.293  -1.980
  609    HB   ILE  79           HB       ILE  79  -8.680  19.835  -1.347
  610   HG12  ILE  79          HG12      ILE  79  -8.786  21.501   1.157
  611   HG13  ILE  79          HG13      ILE  79  -9.778  21.929  -0.238
  612   HG21  ILE  79          HG21      ILE  79  -7.622  19.180   0.895
  613   HG22  ILE  79          HG22      ILE  79  -6.629  19.060  -0.529
  614   HG23  ILE  79          HG23      ILE  79  -6.406  20.413   0.600
  615   HD11  ILE  79          HD11      ILE  79 -10.959  19.872  -0.172
  616   HD12  ILE  79          HD12      ILE  79 -10.044  19.375   1.294
  617   HD13  ILE  79          HD13      ILE  79 -11.084  20.835   1.307
  618    H    HIS  80           H        HIS  80  -7.615  20.818  -3.922
  619    HA   HIS  80           HA       HIS  80  -9.853  22.566  -4.804
  620    HB2  HIS  80           HB2      HIS  80  -8.022  22.009  -6.373
  621    HB3  HIS  80           HB3      HIS  80  -8.448  20.286  -6.220
  622    HD2  HIS  80           HD2      HIS  80  -9.608  23.590  -7.718
  623    HE1  HIS  80           HE1      HIS  80 -12.345  20.678  -9.200
  624    HE2  HIS  80           HE2      HIS  80 -11.627  23.108  -9.368
  625    H    TYR  81           H        TYR  81 -11.728  21.912  -4.077
  626    HA   TYR  81           HA       TYR  81 -12.291  19.150  -3.188
  627    HB2  TYR  81           HB2      TYR  81 -13.851  21.697  -3.133
  628    HB3  TYR  81           HB3      TYR  81 -14.735  20.197  -3.224
  629    HD1  TYR  81           HD1      TYR  81 -14.217  18.322  -1.453
  630    HD2  TYR  81           HD2      TYR  81 -13.254  22.503  -0.942
  631    HE1  TYR  81           HE1      TYR  81 -14.444  18.069   0.970
  632    HE2  TYR  81           HE2      TYR  81 -13.487  22.259   1.504
  633    HH   TYR  81           HH       TYR  81 -14.385  19.140   3.056
  634    H    GLN  82           H        GLN  82 -12.245  17.790  -4.900
  635    HA   GLN  82           HA       GLN  82 -13.053  18.754  -7.572
  636    HB2  GLN  82           HB2      GLN  82 -12.123  16.671  -8.428
  637    HB3  GLN  82           HB3      GLN  82 -10.955  17.613  -7.508
  638    HG2  GLN  82           HG2      GLN  82 -11.350  16.107  -5.534
  639    HG3  GLN  82           HG3      GLN  82 -12.372  15.098  -6.562
  640   HE21  GLN  82          HE21      GLN  82  -9.321  15.276  -5.316
  641   HE22  GLN  82          HE22      GLN  82  -8.408  14.542  -6.611
  642    H    GLY  83           H        GLY  83 -14.570  17.556  -8.873
  643    HA2  GLY  83           HA2      GLY  83 -16.644  16.541  -9.160
  644    HA3  GLY  83           HA3      GLY  83 -16.603  15.950  -7.488
  645    H    TRP  84           H        TRP  84 -15.755  19.175  -7.259
  646    HA   TRP  84           HA       TRP  84 -18.484  20.270  -7.481
  647    HB2  TRP  84           HB2      TRP  84 -16.750  20.606  -4.992
  648    HB3  TRP  84           HB3      TRP  84 -18.308  21.387  -5.334
  649    HD1  TRP  84           HD1      TRP  84 -17.065  18.534  -3.451
  650    HE1  TRP  84           HE1      TRP  84 -19.074  17.122  -2.668
  651    HE3  TRP  84           HE3      TRP  84 -20.600  20.422  -6.582
  652    HZ2  TRP  84           HZ2      TRP  84 -21.884  17.050  -3.177
  653    HZ3  TRP  84           HZ3      TRP  84 -22.984  19.683  -6.414
  654    HH2  TRP  84           HH2      TRP  84 -23.648  18.001  -4.690
  655    H    LYS  85           H        LYS  85 -18.253  22.764  -7.055
  656    HA   LYS  85           HA       LYS  85 -16.838  23.680  -9.349
  657    HB2  LYS  85           HB2      LYS  85 -17.926  25.303  -6.987
  658    HB3  LYS  85           HB3      LYS  85 -17.499  25.953  -8.565
  659    HG2  LYS  85           HG2      LYS  85 -19.781  24.037  -7.930
  660    HG3  LYS  85           HG3      LYS  85 -19.920  25.735  -8.349
  661    HD2  LYS  85           HD2      LYS  85 -18.977  23.514 -10.219
  662    HD3  LYS  85           HD3      LYS  85 -20.560  24.294 -10.212
  663    HE2  LYS  85           HE2      LYS  85 -19.484  26.487 -10.725
  664    HE3  LYS  85           HE3      LYS  85 -17.905  25.681 -10.788
  665    HZ1  LYS  85           HZ1      LYS  85 -18.710  24.362 -12.635
  666    HZ2  LYS  85           HZ2      LYS  85 -20.182  25.089 -12.588
  667    HZ3  LYS  85           HZ3      LYS  85 -18.863  25.951 -12.988
  668    H    SER  86           H        SER  86 -14.841  24.630  -9.599
  669    HA   SER  86           HA       SER  86 -12.826  24.460  -7.675
  670    HB2  SER  86           HB2      SER  86 -13.000  26.431  -9.994
  671    HB3  SER  86           HB3      SER  86 -11.520  25.814  -9.226
  672    HG   SER  86           HG       SER  86 -12.187  24.757 -11.243
  673    H    SER  87           H        SER  87 -15.442  26.756  -7.657
  674    HA   SER  87           HA       SER  87 -14.235  28.949  -6.326
  675    HB2  SER  87           HB2      SER  87 -16.996  27.801  -5.769
  676    HB3  SER  87           HB3      SER  87 -16.477  29.491  -5.690
  677    HG   SER  87           HG       SER  87 -17.655  29.071  -7.601
  678    H    TRP  88           H        TRP  88 -14.944  25.652  -5.283
  679    HA   TRP  88           HA       TRP  88 -14.720  26.157  -2.428
  680    HB2  TRP  88           HB2      TRP  88 -14.838  23.630  -4.116
  681    HB3  TRP  88           HB3      TRP  88 -14.751  23.655  -2.371
  682    HD1  TRP  88           HD1      TRP  88 -17.271  25.968  -4.137
  683    HE1  TRP  88           HE1      TRP  88 -19.568  25.275  -3.344
  684    HE3  TRP  88           HE3      TRP  88 -15.943  21.846  -1.494
  685    HZ2  TRP  88           HZ2      TRP  88 -20.784  22.925  -2.048
  686    HZ3  TRP  88           HZ3      TRP  88 -17.695  20.283  -0.594
  687    HH2  TRP  88           HH2      TRP  88 -20.107  20.834  -0.868
  688    H    ASP  89           H        ASP  89 -12.304  26.724  -4.426
  689    HA   ASP  89           HA       ASP  89 -10.230  24.938  -3.450
  690    HB2  ASP  89           HB2      ASP  89 -10.335  27.461  -5.070
  691    HB3  ASP  89           HB3      ASP  89  -8.885  27.159  -4.135
  692    H    GLU  90           H        GLU  90 -10.413  24.741  -1.276
  693    HA   GLU  90           HA       GLU  90 -10.164  27.164   0.460
  694    HB2  GLU  90           HB2      GLU  90 -12.547  26.431   0.078
  695    HB3  GLU  90           HB3      GLU  90 -12.104  24.795   0.601
  696    HG2  GLU  90           HG2      GLU  90 -12.030  25.333   2.816
  697    HG3  GLU  90           HG3      GLU  90 -11.557  27.008   2.546
  698    H    TRP  91           H        TRP  91  -8.959  26.745   2.414
  699    HA   TRP  91           HA       TRP  91  -7.842  24.084   2.565
  700    HB2  TRP  91           HB2      TRP  91  -7.426  25.493   5.057
  701    HB3  TRP  91           HB3      TRP  91  -6.304  24.672   4.016
  702    HD1  TRP  91           HD1      TRP  91  -8.220  27.989   4.048
  703    HE1  TRP  91           HE1      TRP  91  -6.584  29.886   3.789
  704    HE3  TRP  91           HE3      TRP  91  -3.835  25.311   3.456
  705    HZ2  TRP  91           HZ2      TRP  91  -3.860  30.237   3.067
  706    HZ3  TRP  91           HZ3      TRP  91  -1.726  26.539   2.927
  707    HH2  TRP  91           HH2      TRP  91  -1.792  29.063   2.643
  708    H    VAL  92           H        VAL  92  -7.979  22.606   4.084
  709    HA   VAL  92           HA       VAL  92 -10.099  22.877   6.165
  710    HB   VAL  92           HB       VAL  92 -10.496  20.413   5.918
  711   HG11  VAL  92          HG11      VAL  92 -11.920  20.525   3.987
  712   HG12  VAL  92          HG12      VAL  92 -12.090  22.011   4.950
  713   HG13  VAL  92          HG13      VAL  92 -11.152  22.027   3.432
  714   HG21  VAL  92          HG21      VAL  92  -9.972  19.308   3.843
  715   HG22  VAL  92          HG22      VAL  92  -9.036  20.697   3.273
  716   HG23  VAL  92          HG23      VAL  92  -8.486  19.797   4.693
  717    H    GLY  93           H        GLY  93  -9.638  21.594   8.058
  718    HA2  GLY  93           HA2      GLY  93  -6.733  21.256   8.581
  719    HA3  GLY  93           HA3      GLY  93  -8.037  21.274   9.782
  720    H    TYR  94           H        TYR  94  -6.165  19.284   9.750
  721    HA   TYR  94           HA       TYR  94  -6.901  16.910   8.423
  722    HB2  TYR  94           HB2      TYR  94  -4.949  17.795  10.173
  723    HB3  TYR  94           HB3      TYR  94  -5.776  16.555  11.130
  724    HD1  TYR  94           HD1      TYR  94  -6.385  14.387   9.576
  725    HD2  TYR  94           HD2      TYR  94  -3.222  17.202   8.884
  726    HE1  TYR  94           HE1      TYR  94  -5.426  12.841   7.907
  727    HE2  TYR  94           HE2      TYR  94  -2.299  15.703   7.103
  728    HH   TYR  94           HH       TYR  94  -3.637  12.406   6.487
  729    H    ASP  95           H        ASP  95  -8.330  18.476  11.191
  730    HA   ASP  95           HA       ASP  95  -9.867  16.377  12.290
  731    HB2  ASP  95           HB2      ASP  95  -9.754  18.630  13.289
  732    HB3  ASP  95           HB3      ASP  95 -10.631  19.299  11.907
  733    H    ARG  96           H        ARG  96 -10.179  18.015   9.195
  734    HA   ARG  96           HA       ARG  96 -12.761  16.588   8.689
  735    HB2  ARG  96           HB2      ARG  96 -11.545  18.693   6.890
  736    HB3  ARG  96           HB3      ARG  96 -13.175  18.066   6.903
  737    HG2  ARG  96           HG2      ARG  96 -11.905  20.090   8.745
  738    HG3  ARG  96           HG3      ARG  96 -13.336  20.250   7.745
  739    HD2  ARG  96           HD2      ARG  96 -13.045  18.711  10.332
  740    HD3  ARG  96           HD3      ARG  96 -13.996  20.172  10.061
  741    HE   ARG  96           HE       ARG  96 -15.077  18.342   8.294
  742   HH11  ARG  96          HH11      ARG  96 -14.349  18.113  11.796
  743   HH12  ARG  96          HH12      ARG  96 -15.731  17.128  12.131
  744   HH21  ARG  96          HH21      ARG  96 -16.893  17.107   8.768
  745   HH22  ARG  96          HH22      ARG  96 -17.210  16.517  10.365
  746    H    ILE  97           H        ILE  97  -9.421  17.147   7.299
  747    HA   ILE  97           HA       ILE  97 -10.169  15.209   5.242
  748    HB   ILE  97           HB       ILE  97  -9.359  17.521   4.868
  749   HG12  ILE  97          HG12      ILE  97  -7.842  15.350   3.414
  750   HG13  ILE  97          HG13      ILE  97  -9.468  15.894   3.036
  751   HG21  ILE  97          HG21      ILE  97  -7.175  18.112   4.789
  752   HG22  ILE  97          HG22      ILE  97  -7.275  17.374   6.411
  753   HG23  ILE  97          HG23      ILE  97  -6.512  16.476   5.049
  754   HD11  ILE  97          HD11      ILE  97  -8.288  17.123   1.534
  755   HD12  ILE  97          HD12      ILE  97  -8.263  18.255   2.864
  756   HD13  ILE  97          HD13      ILE  97  -6.838  17.245   2.582
  757    H    ARG  98           H        ARG  98  -8.878  13.689   4.376
  758    HA   ARG  98           HA       ARG  98  -6.448  12.841   5.817
  759    HB2  ARG  98           HB2      ARG  98  -8.399  10.814   4.733
  760    HB3  ARG  98           HB3      ARG  98  -6.891  10.538   5.615
  761    HG2  ARG  98           HG2      ARG  98  -8.402  10.078   7.288
  762    HG3  ARG  98           HG3      ARG  98  -8.227  11.818   7.582
  763    HD2  ARG  98           HD2      ARG  98 -10.211  12.215   6.109
  764    HD3  ARG  98           HD3      ARG  98 -10.378  10.483   5.855
  765    HE   ARG  98           HE       ARG  98 -11.188  12.052   8.167
  766   HH11  ARG  98          HH11      ARG  98 -10.383   8.729   7.111
  767   HH12  ARG  98          HH12      ARG  98 -11.157   7.989   8.470
  768   HH21  ARG  98          HH21      ARG  98 -12.259  11.028   9.924
  769   HH22  ARG  98          HH22      ARG  98 -12.263   9.310  10.065
  770    H    ALA  99           H        ALA  99  -5.057  11.554   4.275
  771    HA   ALA  99           HA       ALA  99  -5.188  12.553   1.555
  772    HB1  ALA  99           HB1      ALA  99  -3.558  10.222   2.534
  773    HB2  ALA  99           HB2      ALA  99  -3.151  11.453   1.234
  774    HB3  ALA  99           HB3      ALA  99  -3.146  11.889   2.958
  775    H    TYR 100           H        TYR 100  -4.943  10.954  -0.267
  776    HA   TYR 100           HA       TYR 100  -7.388   9.399  -0.292
  777    HB2  TYR 100           HB2      TYR 100  -6.622  10.811  -2.004
  778    HB3  TYR 100           HB3      TYR 100  -5.298   9.706  -2.398
  779    HD1  TYR 100           HD1      TYR 100  -5.900   7.504  -3.476
  780    HD2  TYR 100           HD2      TYR 100  -8.863  10.528  -2.675
  781    HE1  TYR 100           HE1      TYR 100  -7.475   6.364  -5.031
  782    HE2  TYR 100           HE2      TYR 100 -10.442   9.412  -4.230
  783    HH   TYR 100           HH       TYR 100 -10.785   7.620  -5.688
  784    H    ASN 101           H        ASN 101  -7.392   7.496   0.653
  785    HA   ASN 101           HA       ASN 101  -5.779   5.369  -0.448
  786    HB2  ASN 101           HB2      ASN 101  -4.508   4.613   1.353
  787    HB3  ASN 101           HB3      ASN 101  -4.249   6.341   1.372
  788   HD21  ASN 101          HD21      ASN 101  -5.047   7.548   3.199
  789   HD22  ASN 101          HD22      ASN 101  -5.603   6.713   4.628
  790    H    GLU 102           H        GLU 102  -6.127   3.279   0.750
  791    HA   GLU 102           HA       GLU 102  -8.584   2.365   0.146
  792    HB2  GLU 102           HB2      GLU 102  -6.365   1.143   0.728
  793    HB3  GLU 102           HB3      GLU 102  -6.857   1.295   2.428
  794    HG2  GLU 102           HG2      GLU 102  -8.871  -0.077   1.971
  795    HG3  GLU 102           HG3      GLU 102  -8.484  -0.122   0.253
  796    H    GLU 103           H        GLU 103  -7.594   3.482   3.416
  797    HA   GLU 103           HA       GLU 103  -9.951   2.366   4.684
  798    HB2  GLU 103           HB2      GLU 103  -7.865   4.394   5.551
  799    HB3  GLU 103           HB3      GLU 103  -9.076   3.642   6.632
  800    HG2  GLU 103           HG2      GLU 103  -8.076   1.418   5.586
  801    HG3  GLU 103           HG3      GLU 103  -6.677   2.501   5.245
  802    H    ASN 104           H        ASN 104  -9.179   5.371   3.075
  803    HA   ASN 104           HA       ASN 104 -11.511   6.760   4.286
  804    HB2  ASN 104           HB2      ASN 104  -9.401   7.728   2.354
  805    HB3  ASN 104           HB3      ASN 104 -10.672   8.723   3.102
  806   HD21  ASN 104          HD21      ASN 104  -7.567   8.618   3.247
  807   HD22  ASN 104          HD22      ASN 104  -7.235   8.541   4.965
  808    H    ILE 105           H        ILE 105 -10.440   4.907   1.498
  809    HA   ILE 105           HA       ILE 105 -12.753   5.500  -0.150
  810    HB   ILE 105           HB       ILE 105 -10.428   3.606  -0.054
  811   HG12  ILE 105          HG12      ILE 105  -9.532   4.850  -1.677
  812   HG13  ILE 105          HG13      ILE 105 -11.085   5.052  -2.547
  813   HG21  ILE 105          HG21      ILE 105 -11.200   2.622  -2.204
  814   HG22  ILE 105          HG22      ILE 105 -12.128   2.162  -0.764
  815   HG23  ILE 105          HG23      ILE 105 -12.792   3.387  -1.883
  816   HD11  ILE 105          HD11      ILE 105 -10.081   7.187  -1.946
  817   HD12  ILE 105          HD12      ILE 105 -11.652   6.992  -1.139
  818   HD13  ILE 105          HD13      ILE 105 -10.130   6.772  -0.238
  819    H    ALA 106           H        ALA 106 -11.868   3.105   2.356
  820    HA   ALA 106           HA       ALA 106 -14.235   1.569   2.159
  821    HB1  ALA 106           HB1      ALA 106 -13.579   0.756   4.367
  822    HB2  ALA 106           HB2      ALA 106 -12.096   1.007   3.401
  823    HB3  ALA 106           HB3      ALA 106 -12.536   2.165   4.645
  824    H    MET 107           H        MET 107 -13.392   4.463   4.128
  825    HA   MET 107           HA       MET 107 -16.037   4.991   5.016
  826    HB2  MET 107           HB2      MET 107 -15.063   6.591   6.168
  827    HB3  MET 107           HB3      MET 107 -13.544   6.115   5.442
  828    HG2  MET 107           HG2      MET 107 -14.252   7.849   3.575
  829    HG3  MET 107           HG3      MET 107 -15.336   8.436   4.822
  830    HE1  MET 107           HE1      MET 107 -12.808   9.787   3.184
  831    HE2  MET 107           HE2      MET 107 -14.118  10.509   4.185
  832    HE3  MET 107           HE3      MET 107 -12.411  10.988   4.463
  833    H    LYS 108           H        LYS 108 -14.439   6.211   1.951
  834    HA   LYS 108           HA       LYS 108 -16.597   7.731   1.067
  835    HB2  LYS 108           HB2      LYS 108 -14.419   7.731  -0.116
  836    HB3  LYS 108           HB3      LYS 108 -14.668   6.058  -0.578
  837    HG2  LYS 108           HG2      LYS 108 -15.051   7.352  -2.506
  838    HG3  LYS 108           HG3      LYS 108 -16.544   6.614  -2.025
  839    HD2  LYS 108           HD2      LYS 108 -17.394   8.688  -2.470
  840    HD3  LYS 108           HD3      LYS 108 -16.922   9.040  -0.820
  841    HE2  LYS 108           HE2      LYS 108 -16.020  10.818  -2.050
  842    HE3  LYS 108           HE3      LYS 108 -14.614   9.731  -1.831
  843    HZ1  LYS 108           HZ1      LYS 108 -15.197   8.830  -4.096
  844    HZ2  LYS 108           HZ2      LYS 108 -16.155  10.143  -4.302
  845    HZ3  LYS 108           HZ3      LYS 108 -14.523  10.307  -4.078
  846    H    LYS 109           H        LYS 109 -15.982   4.219   0.325
  847    HA   LYS 109           HA       LYS 109 -18.332   4.035  -1.255
  848    HB2  LYS 109           HB2      LYS 109 -17.902   1.699  -1.430
  849    HB3  LYS 109           HB3      LYS 109 -16.339   2.532  -1.406
  850    HG2  LYS 109           HG2      LYS 109 -16.106   1.873   0.971
  851    HG3  LYS 109           HG3      LYS 109 -17.599   0.926   0.826
  852    HD2  LYS 109           HD2      LYS 109 -16.603  -0.335  -1.091
  853    HD3  LYS 109           HD3      LYS 109 -15.103   0.637  -0.949
  854    HE2  LYS 109           HE2      LYS 109 -14.731  -0.142   1.273
  855    HE3  LYS 109           HE3      LYS 109 -16.296  -0.985   1.304
  856    HZ1  LYS 109           HZ1      LYS 109 -14.466  -2.538   0.874
  857    HZ2  LYS 109           HZ2      LYS 109 -15.448  -2.479  -0.422
  858    HZ3  LYS 109           HZ3      LYS 109 -14.005  -1.702  -0.450
  859    H    ARG 110           H        ARG 110 -17.801   3.352   2.238
  860    HA   ARG 110           HA       ARG 110 -20.453   2.388   2.728
  861    HB2  ARG 110           HB2      ARG 110 -18.566   2.140   4.257
  862    HB3  ARG 110           HB3      ARG 110 -18.490   3.874   4.537
  863    HG2  ARG 110           HG2      ARG 110 -21.000   2.266   5.172
  864    HG3  ARG 110           HG3      ARG 110 -19.615   2.293   6.274
  865    HD2  ARG 110           HD2      ARG 110 -19.737   4.800   6.328
  866    HD3  ARG 110           HD3      ARG 110 -21.202   4.716   5.355
  867    HE   ARG 110           HE       ARG 110 -22.430   3.937   7.125
  868   HH11  ARG 110          HH11      ARG 110 -19.011   4.048   8.128
  869   HH12  ARG 110          HH12      ARG 110 -19.358   3.837   9.804
  870   HH21  ARG 110          HH21      ARG 110 -22.885   3.659   9.356
  871   HH22  ARG 110          HH22      ARG 110 -21.607   3.608  10.514
  872    H    LEU 111           H        LEU 111 -19.068   5.691   2.791
  873    HA   LEU 111           HA       LEU 111 -21.384   7.110   3.556
  874    HB2  LEU 111           HB2      LEU 111 -18.873   7.725   1.956
  875    HB3  LEU 111           HB3      LEU 111 -20.097   8.918   2.110
  876    HG   LEU 111           HG       LEU 111 -18.668   7.643   4.476
  877   HD11  LEU 111          HD11      LEU 111 -18.367  10.306   3.054
  878   HD12  LEU 111          HD12      LEU 111 -17.422   9.830   4.474
  879   HD13  LEU 111          HD13      LEU 111 -17.217   8.959   2.962
  880   HD21  LEU 111          HD21      LEU 111 -20.772   8.317   5.271
  881   HD22  LEU 111          HD22      LEU 111 -19.723   9.680   5.637
  882   HD23  LEU 111          HD23      LEU 111 -20.825   9.750   4.243
  883    H    ALA 112           H        ALA 112 -20.076   6.505   0.294
  884    HA   ALA 112           HA       ALA 112 -22.194   7.729  -1.109
  885    HB1  ALA 112           HB1      ALA 112 -20.037   7.290  -2.091
  886    HB2  ALA 112           HB2      ALA 112 -20.318   5.522  -2.025
  887    HB3  ALA 112           HB3      ALA 112 -21.315   6.543  -3.076
  888    H    ASN 113           H        ASN 113 -22.407   4.781   0.682
  889    HA   ASN 113           HA       ASN 113 -24.842   3.935  -0.834
  890    HB2  ASN 113           HB2      ASN 113 -23.237   2.665   1.417
  891    HB3  ASN 113           HB3      ASN 113 -24.901   2.200   1.107
  892   HD21  ASN 113          HD21      ASN 113 -21.685   2.427  -0.471
  893   HD22  ASN 113          HD22      ASN 113 -22.022   1.199  -1.682
  894    H    LEU 114           H        LEU 114 -23.832   5.718   2.024
  895    HA   LEU 114           HA       LEU 114 -26.435   5.869   3.287
  896    HB2  LEU 114           HB2      LEU 114 -24.434   6.214   4.604
  897    HB3  LEU 114           HB3      LEU 114 -23.904   7.514   3.542
  898    HG   LEU 114           HG       LEU 114 -25.843   8.901   4.213
  899   HD11  LEU 114          HD11      LEU 114 -26.287   6.661   6.242
  900   HD12  LEU 114          HD12      LEU 114 -27.073   8.262   6.280
  901   HD13  LEU 114          HD13      LEU 114 -27.410   7.156   4.949
  902   HD21  LEU 114          HD21      LEU 114 -23.627   9.119   5.191
  903   HD22  LEU 114          HD22      LEU 114 -24.882   9.471   6.392
  904   HD23  LEU 114          HD23      LEU 114 -24.021   7.903   6.431
  905    H    GLU 115           H        GLU 115 -24.600   7.808   1.008
  906    HA   GLU 115           HA       GLU 115 -26.040  10.020   0.488
  907    HB2  GLU 115           HB2      GLU 115 -24.021   9.183  -0.785
  908    HB3  GLU 115           HB3      GLU 115 -25.090   8.157  -1.723
  909    HG2  GLU 115           HG2      GLU 115 -26.309  10.172  -2.527
  910    HG3  GLU 115           HG3      GLU 115 -25.247  11.190  -1.546
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   3.132   0.779   7.303
    2    H2   MET   1           H2       MET   1   2.522  -0.538   6.521
    3    H3   MET   1           H3       MET   1   2.682   0.888   5.725
    4    HA   MET   1           HA       MET   1   0.415   0.626   6.197
    5    HB2  MET   1           HB2      MET   1   1.341   0.275   9.083
    6    HB3  MET   1           HB3      MET   1  -0.325   0.638   8.620
    7    HG2  MET   1           HG2      MET   1   1.241  -1.838   7.812
    8    HG3  MET   1           HG3      MET   1  -0.053  -1.742   9.002
    9    HE1  MET   1           HE1      MET   1  -0.004  -3.897   6.693
   10    HE2  MET   1           HE2      MET   1  -1.304  -3.764   7.902
   11    HE3  MET   1           HE3      MET   1  -1.703  -3.866   6.175
   12    H    VAL   2           H        VAL   2  -0.380   2.523   5.837
   13    HA   VAL   2           HA       VAL   2  -0.749   4.626   5.537
   14    HB   VAL   2           HB       VAL   2  -1.386   5.956   7.450
   15   HG11  VAL   2          HG11      VAL   2  -2.274   3.051   7.688
   16   HG12  VAL   2          HG12      VAL   2  -3.165   4.483   8.213
   17   HG13  VAL   2          HG13      VAL   2  -2.875   4.214   6.488
   18   HG21  VAL   2          HG21      VAL   2   0.381   5.292   9.087
   19   HG22  VAL   2          HG22      VAL   2  -1.262   5.184   9.731
   20   HG23  VAL   2          HG23      VAL   2  -0.412   3.708   9.256
   21    H    ASP   3           H        ASP   3   2.325   4.466   7.320
   22    HA   ASP   3           HA       ASP   3   3.130   7.166   6.843
   23    HB2  ASP   3           HB2      ASP   3   4.380   5.917   8.371
   24    HB3  ASP   3           HB3      ASP   3   4.651   4.587   7.222
   25    H    LEU   4           H        LEU   4   3.313   8.085   5.064
   26    HA   LEU   4           HA       LEU   4   3.087   8.554   2.880
   27    HB2  LEU   4           HB2      LEU   4   5.583   8.230   3.287
   28    HB3  LEU   4           HB3      LEU   4   5.435   6.693   2.436
   29    HG   LEU   4           HG       LEU   4   4.746   7.906   0.368
   30   HD11  LEU   4          HD11      LEU   4   3.615   9.886   1.256
   31   HD12  LEU   4          HD12      LEU   4   5.117  10.428   2.047
   32   HD13  LEU   4          HD13      LEU   4   4.980  10.395   0.278
   33   HD21  LEU   4          HD21      LEU   4   6.906   8.954  -0.102
   34   HD22  LEU   4          HD22      LEU   4   7.273   9.032   1.641
   35   HD23  LEU   4          HD23      LEU   4   7.132   7.462   0.819
   36    H    GLU   5           H        GLU   5   1.434   6.325   3.759
   37    HA   GLU   5           HA       GLU   5   0.750   5.194   1.078
   38    HB2  GLU   5           HB2      GLU   5   0.730   3.801   3.783
   39    HB3  GLU   5           HB3      GLU   5  -0.078   3.162   2.356
   40    HG2  GLU   5           HG2      GLU   5   2.056   3.043   1.147
   41    HG3  GLU   5           HG3      GLU   5   2.914   3.678   2.546
   42    H    GLN   6           H        GLN   6  -0.059   7.444   3.163
   43    HA   GLN   6           HA       GLN   6  -2.722   7.775   2.442
   44    HB2  GLN   6           HB2      GLN   6  -3.357   6.363   4.253
   45    HB3  GLN   6           HB3      GLN   6  -2.015   6.871   5.277
   46    HG2  GLN   6           HG2      GLN   6  -3.064   8.734   6.015
   47    HG3  GLN   6           HG3      GLN   6  -3.846   9.042   4.466
   48   HE21  GLN   6          HE21      GLN   6  -4.043   6.416   7.033
   49   HE22  GLN   6          HE22      GLN   6  -5.785   6.271   6.917
   50    H    GLU   7           H        GLU   7  -1.132   8.938   5.425
   51    HA   GLU   7           HA       GLU   7  -0.335  10.984   5.960
   52    HB2  GLU   7           HB2      GLU   7   1.497   9.753   4.383
   53    HB3  GLU   7           HB3      GLU   7   1.177  11.111   3.327
   54    HG2  GLU   7           HG2      GLU   7   3.071  11.645   4.704
   55    HG3  GLU   7           HG3      GLU   7   1.742  12.648   5.278
   56    H    PHE   8           H        PHE   8   0.481  12.940   3.952
   57    HA   PHE   8           HA       PHE   8  -1.839  13.957   2.491
   58    HB2  PHE   8           HB2      PHE   8  -1.315  16.214   3.004
   59    HB3  PHE   8           HB3      PHE   8  -1.852  15.432   4.484
   60    HD1  PHE   8           HD1      PHE   8  -0.146  14.948   6.312
   61    HD2  PHE   8           HD2      PHE   8   0.942  17.035   2.695
   62    HE1  PHE   8           HE1      PHE   8   1.949  15.717   7.388
   63    HE2  PHE   8           HE2      PHE   8   3.032  17.815   3.781
   64    HZ   PHE   8           HZ       PHE   8   3.555  17.140   6.111
   65    H    ALA   9           H        ALA   9  -0.897  14.826   0.518
   66    HA   ALA   9           HA       ALA   9   2.102  14.642   0.383
   67    HB1  ALA   9           HB1      ALA   9   1.173  12.630  -0.441
   68    HB2  ALA   9           HB2      ALA   9  -0.077  13.503  -1.343
   69    HB3  ALA   9           HB3      ALA   9   1.631  13.603  -1.875
   70    H    LEU  10           H        LEU  10   3.115  15.938  -1.087
   71    HA   LEU  10           HA       LEU  10   1.920  18.583  -1.296
   72    HB2  LEU  10           HB2      LEU  10   4.646  17.386  -1.556
   73    HB3  LEU  10           HB3      LEU  10   4.320  18.859  -2.457
   74    HG   LEU  10           HG       LEU  10   5.350  19.128  -0.143
   75   HD11  LEU  10          HD11      LEU  10   2.851  20.672  -0.954
   76   HD12  LEU  10          HD12      LEU  10   4.046  21.221   0.256
   77   HD13  LEU  10          HD13      LEU  10   4.516  20.978  -1.423
   78   HD21  LEU  10          HD21      LEU  10   2.478  18.668   0.798
   79   HD22  LEU  10          HD22      LEU  10   3.840  17.559   1.048
   80   HD23  LEU  10          HD23      LEU  10   3.867  19.178   1.776
   81    H    GLY  11           H        GLY  11   0.318  18.087  -2.515
   82    HA2  GLY  11           HA2      GLY  11  -0.762  18.495  -4.566
   83    HA3  GLY  11           HA3      GLY  11   0.683  18.007  -5.476
   84    H    GLY  12           H        GLY  12  -0.704  16.194  -2.635
   85    HA2  GLY  12           HA2      GLY  12  -1.261  13.897  -4.400
   86    HA3  GLY  12           HA3      GLY  12  -1.517  14.008  -2.658
   87    H    ARG  13           H        ARG  13  -3.493  12.961  -3.745
   88    HA   ARG  13           HA       ARG  13  -5.592  15.026  -4.196
   89    HB2  ARG  13           HB2      ARG  13  -5.472  12.039  -4.771
   90    HB3  ARG  13           HB3      ARG  13  -7.003  12.909  -4.532
   91    HG2  ARG  13           HG2      ARG  13  -6.611  14.293  -6.434
   92    HG3  ARG  13           HG3      ARG  13  -4.972  13.632  -6.669
   93    HD2  ARG  13           HD2      ARG  13  -5.891  11.359  -6.966
   94    HD3  ARG  13           HD3      ARG  13  -7.505  11.942  -6.600
   95    HE   ARG  13           HE       ARG  13  -7.789  12.740  -8.728
   96   HH11  ARG  13          HH11      ARG  13  -4.343  11.945  -8.341
   97   HH12  ARG  13          HH12      ARG  13  -3.974  12.109 -10.017
   98   HH21  ARG  13          HH21      ARG  13  -7.295  12.996 -10.947
   99   HH22  ARG  13          HH22      ARG  13  -5.695  12.728 -11.532
  100    H    CYS  14           H        CYS  14  -7.325  14.590  -2.706
  101    HA   CYS  14           HA       CYS  14  -6.750  12.885  -0.366
  102    HB2  CYS  14           HB2      CYS  14  -7.401  15.138   0.957
  103    HB3  CYS  14           HB3      CYS  14  -5.736  14.694   0.602
  104    HG   CYS  14           HG       CYS  14  -6.170  17.239   0.291
  105    H    LEU  15           H        LEU  15  -8.580  13.389   1.271
  106    HA   LEU  15           HA       LEU  15 -11.225  13.683  -0.065
  107    HB2  LEU  15           HB2      LEU  15 -10.369  11.485   1.880
  108    HB3  LEU  15           HB3      LEU  15 -11.999  11.841   1.410
  109    HG   LEU  15           HG       LEU  15 -11.478   9.967   0.280
  110   HD11  LEU  15          HD11      LEU  15 -10.770  11.847  -1.976
  111   HD12  LEU  15          HD12      LEU  15 -11.774  10.381  -1.993
  112   HD13  LEU  15          HD13      LEU  15 -12.347  11.881  -1.229
  113   HD21  LEU  15          HD21      LEU  15  -8.897  10.951  -0.937
  114   HD22  LEU  15          HD22      LEU  15  -8.943  10.227   0.686
  115   HD23  LEU  15          HD23      LEU  15  -9.509   9.292  -0.700
  116    H    ALA  16           H        ALA  16 -12.562  14.865   1.305
  117    HA   ALA  16           HA       ALA  16 -11.665  15.215   4.101
  118    HB1  ALA  16           HB1      ALA  16 -12.338  17.487   2.205
  119    HB2  ALA  16           HB2      ALA  16 -12.273  17.643   3.982
  120    HB3  ALA  16           HB3      ALA  16 -10.817  17.223   3.094
  121    H    PHE  17           H        PHE  17 -13.190  15.022   5.505
  122    HA   PHE  17           HA       PHE  17 -15.762  14.006   4.616
  123    HB2  PHE  17           HB2      PHE  17 -14.150  13.965   7.082
  124    HB3  PHE  17           HB3      PHE  17 -15.852  14.247   7.398
  125    HD1  PHE  17           HD1      PHE  17 -17.544  12.662   6.066
  126    HD2  PHE  17           HD2      PHE  17 -13.415  11.732   6.946
  127    HE1  PHE  17           HE1      PHE  17 -18.048  10.303   5.893
  128    HE2  PHE  17           HE2      PHE  17 -13.963   9.309   6.770
  129    HZ   PHE  17           HZ       PHE  17 -16.261   8.582   6.225
  130    H    HIS  18           H        HIS  18 -17.789  14.844   5.271
  131    HA   HIS  18           HA       HIS  18 -17.848  17.770   5.951
  132    HB2  HIS  18           HB2      HIS  18 -19.226  16.331   3.676
  133    HB3  HIS  18           HB3      HIS  18 -19.987  17.715   4.448
  134    HD2  HIS  18           HD2      HIS  18 -16.648  16.903   2.583
  135    HE1  HIS  18           HE1      HIS  18 -17.508  21.035   2.033
  136    HE2  HIS  18           HE2      HIS  18 -15.944  19.134   1.399
  137    H    GLY  19           H        GLY  19 -19.722  14.689   5.845
  138    HA2  GLY  19           HA2      GLY  19 -20.450  14.247   8.323
  139    HA3  GLY  19           HA3      GLY  19 -21.483  15.662   8.048
  140    HA   PRO  20           HA       PRO  20 -24.462  13.240   5.678
  141    HB2  PRO  20           HB2      PRO  20 -23.823  14.889   3.235
  142    HB3  PRO  20           HB3      PRO  20 -25.425  14.495   3.935
  143    HG2  PRO  20           HG2      PRO  20 -24.350  16.961   4.305
  144    HG3  PRO  20           HG3      PRO  20 -25.174  16.121   5.655
  145    HD2  PRO  20           HD2      PRO  20 -22.207  16.346   5.125
  146    HD3  PRO  20           HD3      PRO  20 -23.099  16.522   6.671
  147    H    LEU  21           H        LEU  21 -21.485  14.194   3.963
  148    HA   LEU  21           HA       LEU  21 -20.867  11.457   3.274
  149    HB2  LEU  21           HB2      LEU  21 -22.207  12.975   1.311
  150    HB3  LEU  21           HB3      LEU  21 -20.530  13.277   0.919
  151    HG   LEU  21           HG       LEU  21 -20.488  10.581   1.437
  152   HD11  LEU  21          HD11      LEU  21 -22.924  10.494   1.703
  153   HD12  LEU  21          HD12      LEU  21 -23.118  11.196   0.071
  154   HD13  LEU  21          HD13      LEU  21 -22.455   9.562   0.285
  155   HD21  LEU  21          HD21      LEU  21 -20.550  10.118  -1.011
  156   HD22  LEU  21          HD22      LEU  21 -20.811  11.863  -1.250
  157   HD23  LEU  21          HD23      LEU  21 -19.334  11.229  -0.456
  158    H    MET  22           H        MET  22 -18.802  12.067   1.525
  159    HA   MET  22           HA       MET  22 -16.938  13.920   2.861
  160    HB2  MET  22           HB2      MET  22 -16.219  11.693   3.538
  161    HB3  MET  22           HB3      MET  22 -16.582  11.021   1.955
  162    HG2  MET  22           HG2      MET  22 -14.309  12.955   2.491
  163    HG3  MET  22           HG3      MET  22 -14.221  11.201   2.397
  164    HE1  MET  22           HE1      MET  22 -14.047   9.764   0.642
  165    HE2  MET  22           HE2      MET  22 -15.679  10.138   0.009
  166    HE3  MET  22           HE3      MET  22 -14.236  10.175  -1.067
  167    H    TYR  23           H        TYR  23 -15.523  14.822   1.139
  168    HA   TYR  23           HA       TYR  23 -16.366  14.251  -1.598
  169    HB2  TYR  23           HB2      TYR  23 -16.418  17.067  -0.481
  170    HB3  TYR  23           HB3      TYR  23 -16.595  16.635  -2.180
  171    HD1  TYR  23           HD1      TYR  23 -18.486  14.449  -2.344
  172    HD2  TYR  23           HD2      TYR  23 -18.505  17.803   0.373
  173    HE1  TYR  23           HE1      TYR  23 -20.880  14.034  -1.857
  174    HE2  TYR  23           HE2      TYR  23 -20.910  17.449   0.797
  175    HH   TYR  23           HH       TYR  23 -22.734  14.720  -0.709
  176    H    GLU  24           H        GLU  24 -14.816  15.021  -3.144
  177    HA   GLU  24           HA       GLU  24 -12.221  14.093  -2.153
  178    HB2  GLU  24           HB2      GLU  24 -13.485  14.734  -4.840
  179    HB3  GLU  24           HB3      GLU  24 -11.719  14.647  -4.712
  180    HG2  GLU  24           HG2      GLU  24 -11.702  12.403  -4.085
  181    HG3  GLU  24           HG3      GLU  24 -13.426  12.392  -3.672
  182    H    ALA  25           H        ALA  25 -10.309  15.150  -2.365
  183    HA   ALA  25           HA       ALA  25 -10.429  18.080  -2.334
  184    HB1  ALA  25           HB1      ALA  25  -9.208  16.227  -0.223
  185    HB2  ALA  25           HB2      ALA  25  -8.921  17.957  -0.297
  186    HB3  ALA  25           HB3      ALA  25 -10.553  17.338  -0.003
  187    H    LYS  26           H        LYS  26  -8.150  18.950  -2.724
  188    HA   LYS  26           HA       LYS  26  -6.188  17.045  -3.797
  189    HB2  LYS  26           HB2      LYS  26  -7.787  17.669  -5.711
  190    HB3  LYS  26           HB3      LYS  26  -7.274  19.325  -5.472
  191    HG2  LYS  26           HG2      LYS  26  -4.839  18.340  -5.804
  192    HG3  LYS  26           HG3      LYS  26  -5.704  16.915  -6.424
  193    HD2  LYS  26           HD2      LYS  26  -5.034  18.389  -8.248
  194    HD3  LYS  26           HD3      LYS  26  -6.807  18.338  -8.134
  195    HE2  LYS  26           HE2      LYS  26  -6.917  20.535  -7.174
  196    HE3  LYS  26           HE3      LYS  26  -5.207  20.506  -6.715
  197    HZ1  LYS  26           HZ1      LYS  26  -5.545  21.894  -8.623
  198    HZ2  LYS  26           HZ2      LYS  26  -4.587  20.628  -8.952
  199    HZ3  LYS  26           HZ3      LYS  26  -6.151  20.633  -9.521
  200    H    ILE  27           H        ILE  27  -4.598  17.662  -2.419
  201    HA   ILE  27           HA       ILE  27  -4.527  20.166  -1.052
  202    HB   ILE  27           HB       ILE  27  -2.574  17.878  -1.389
  203   HG12  ILE  27          HG12      ILE  27  -3.430  18.469   1.348
  204   HG13  ILE  27          HG13      ILE  27  -4.799  18.189   0.345
  205   HG21  ILE  27          HG21      ILE  27  -1.200  19.825  -0.944
  206   HG22  ILE  27          HG22      ILE  27  -2.300  20.366   0.343
  207   HG23  ILE  27          HG23      ILE  27  -1.320  18.898   0.552
  208   HD11  ILE  27          HD11      ILE  27  -3.762  15.906  -0.259
  209   HD12  ILE  27          HD12      ILE  27  -2.423  16.302   0.805
  210   HD13  ILE  27          HD13      ILE  27  -4.068  16.173   1.511
  211    H    LEU  28           H        LEU  28  -4.138  22.094  -2.056
  212    HA   LEU  28           HA       LEU  28  -1.970  22.335  -4.074
  213    HB2  LEU  28           HB2      LEU  28  -4.029  23.369  -4.755
  214    HB3  LEU  28           HB3      LEU  28  -4.260  24.108  -3.168
  215    HG   LEU  28           HG       LEU  28  -2.178  25.445  -3.500
  216   HD11  LEU  28          HD11      LEU  28  -1.260  25.604  -5.817
  217   HD12  LEU  28          HD12      LEU  28  -0.822  24.200  -4.864
  218   HD13  LEU  28          HD13      LEU  28  -2.076  24.036  -6.144
  219   HD21  LEU  28          HD21      LEU  28  -3.140  26.964  -5.246
  220   HD22  LEU  28          HD22      LEU  28  -4.483  25.785  -5.348
  221   HD23  LEU  28          HD23      LEU  28  -4.076  26.602  -3.798
  222    H    LYS  29           H        LYS  29  -3.238  24.174  -1.274
  223    HA   LYS  29           HA       LYS  29  -0.466  25.111  -0.779
  224    HB2  LYS  29           HB2      LYS  29  -2.746  26.544  -1.263
  225    HB3  LYS  29           HB3      LYS  29  -2.792  26.490   0.502
  226    HG2  LYS  29           HG2      LYS  29  -1.104  27.970   0.719
  227    HG3  LYS  29           HG3      LYS  29  -0.161  27.237  -0.556
  228    HD2  LYS  29           HD2      LYS  29  -0.662  29.433  -1.277
  229    HD3  LYS  29           HD3      LYS  29  -1.607  28.315  -2.281
  230    HE2  LYS  29           HE2      LYS  29  -3.597  28.703  -0.811
  231    HE3  LYS  29           HE3      LYS  29  -2.565  29.805   0.165
  232    HZ1  LYS  29           HZ1      LYS  29  -3.834  31.143  -1.274
  233    HZ2  LYS  29           HZ2      LYS  29  -2.315  31.180  -1.835
  234    HZ3  LYS  29           HZ3      LYS  29  -3.442  30.265  -2.612
  235    H    ILE  30           H        ILE  30   0.427  24.878   1.278
  236    HA   ILE  30           HA       ILE  30  -0.929  22.876   3.013
  237    HB   ILE  30           HB       ILE  30   1.997  23.277   2.196
  238   HG12  ILE  30          HG12      ILE  30   2.026  21.022   1.395
  239   HG13  ILE  30          HG13      ILE  30   0.384  20.694   1.947
  240   HG21  ILE  30          HG21      ILE  30   2.485  21.287   3.568
  241   HG22  ILE  30          HG22      ILE  30   1.997  22.689   4.538
  242   HG23  ILE  30          HG23      ILE  30   0.810  21.379   4.230
  243   HD11  ILE  30          HD11      ILE  30  -0.558  22.052   0.349
  244   HD12  ILE  30          HD12      ILE  30   0.989  22.864  -0.046
  245   HD13  ILE  30          HD13      ILE  30   0.693  21.164  -0.542
  246    H    TRP  31           H        TRP  31  -0.966  23.403   5.019
  247    HA   TRP  31           HA       TRP  31   0.452  25.879   6.029
  248    HB2  TRP  31           HB2      TRP  31  -1.666  26.749   5.706
  249    HB3  TRP  31           HB3      TRP  31  -2.471  25.263   6.144
  250    HD1  TRP  31           HD1      TRP  31  -2.463  24.693   8.901
  251    HE1  TRP  31           HE1      TRP  31  -2.751  26.301  10.871
  252    HE3  TRP  31           HE3      TRP  31  -1.110  29.072   6.615
  253    HZ2  TRP  31           HZ2      TRP  31  -2.416  29.058  11.418
  254    HZ3  TRP  31           HZ3      TRP  31  -1.192  31.202   7.901
  255    HH2  TRP  31           HH2      TRP  31  -1.899  31.206  10.286
  256    H    ASP  32           H        ASP  32   0.948  25.968   8.252
  257    HA   ASP  32           HA       ASP  32   0.846  23.530   9.800
  258    HB2  ASP  32           HB2      ASP  32   2.746  23.281   8.140
  259    HB3  ASP  32           HB3      ASP  32   3.498  24.705   8.881
  260    HA   PRO  33           HA       PRO  33   0.687  27.256  12.416
  261    HB2  PRO  33           HB2      PRO  33   0.443  25.985  14.885
  262    HB3  PRO  33           HB3      PRO  33  -0.888  26.299  13.742
  263    HG2  PRO  33           HG2      PRO  33   0.792  23.782  14.030
  264    HG3  PRO  33           HG3      PRO  33  -0.997  23.913  13.893
  265    HD2  PRO  33           HD2      PRO  33   0.536  23.240  11.824
  266    HD3  PRO  33           HD3      PRO  33  -0.860  24.346  11.596
  267    H    SER  34           H        SER  34   3.230  24.883  12.417
  268    HA   SER  34           HA       SER  34   4.850  25.952  14.544
  269    HB2  SER  34           HB2      SER  34   5.850  24.648  11.991
  270    HB3  SER  34           HB3      SER  34   6.652  24.706  13.565
  271    HG   SER  34           HG       SER  34   4.398  23.243  12.712
  272    H    SER  35           H        SER  35   4.238  26.930  11.198
  273    HA   SER  35           HA       SER  35   5.994  29.316  11.581
  274    HB2  SER  35           HB2      SER  35   4.928  28.125   8.991
  275    HB3  SER  35           HB3      SER  35   6.097  29.454   9.160
  276    HG   SER  35           HG       SER  35   7.123  27.432   8.725
  277    H    LYS  36           H        LYS  36   2.739  28.172  11.249
  278    HA   LYS  36           HA       LYS  36   0.761  29.073  11.035
  279    HB2  LYS  36           HB2      LYS  36   1.939  30.253  13.195
  280    HB3  LYS  36           HB3      LYS  36   1.423  31.690  12.343
  281    HG2  LYS  36           HG2      LYS  36  -0.876  31.095  12.427
  282    HG3  LYS  36           HG3      LYS  36  -0.555  29.385  12.676
  283    HD2  LYS  36           HD2      LYS  36   0.091  31.506  14.750
  284    HD3  LYS  36           HD3      LYS  36  -1.402  30.533  14.712
  285    HE2  LYS  36           HE2      LYS  36  -0.059  28.453  14.792
  286    HE3  LYS  36           HE3      LYS  36   1.425  29.381  14.813
  287    HZ1  LYS  36           HZ1      LYS  36   0.758  30.327  16.950
  288    HZ2  LYS  36           HZ2      LYS  36  -0.631  29.455  16.950
  289    HZ3  LYS  36           HZ3      LYS  36   0.816  28.700  17.037
  290    H    MET  37           H        MET  37   2.192  29.230   8.858
  291    HA   MET  37           HA       MET  37   0.875  31.186   7.232
  292    HB2  MET  37           HB2      MET  37   3.894  31.041   7.376
  293    HB3  MET  37           HB3      MET  37   2.990  31.832   6.078
  294    HG2  MET  37           HG2      MET  37   1.926  33.321   7.862
  295    HG3  MET  37           HG3      MET  37   3.079  32.634   9.004
  296    HE1  MET  37           HE1      MET  37   5.712  32.425   8.006
  297    HE2  MET  37           HE2      MET  37   5.288  32.520   6.304
  298    HE3  MET  37           HE3      MET  37   6.419  33.719   6.957
  299    H    TYR  38           H        TYR  38   1.614  30.467   4.878
  300    HA   TYR  38           HA       TYR  38   1.304  27.514   4.901
  301    HB2  TYR  38           HB2      TYR  38  -0.032  27.877   2.886
  302    HB3  TYR  38           HB3      TYR  38  -0.608  28.851   4.259
  303    HD1  TYR  38           HD1      TYR  38   1.334  29.081   1.052
  304    HD2  TYR  38           HD2      TYR  38  -0.572  31.101   4.316
  305    HE1  TYR  38           HE1      TYR  38   1.618  31.218  -0.166
  306    HE2  TYR  38           HE2      TYR  38  -0.142  33.296   3.183
  307    HH   TYR  38           HH       TYR  38   0.727  34.375   1.396
  308    H    THR  39           H        THR  39   1.771  26.750   2.314
  309    HA   THR  39           HA       THR  39   4.044  27.938   1.069
  310    HB   THR  39           HB       THR  39   5.231  25.721   0.910
  311    HG1  THR  39           HG1      THR  39   4.828  24.135   2.424
  312   HG21  THR  39          HG21      THR  39   5.189  26.637   3.795
  313   HG22  THR  39          HG22      THR  39   6.527  25.876   2.904
  314   HG23  THR  39          HG23      THR  39   6.018  27.520   2.491
  315    H    SER  40           H        SER  40   4.080  26.754  -1.135
  316    HA   SER  40           HA       SER  40   1.862  24.870  -1.713
  317    HB2  SER  40           HB2      SER  40   1.237  27.548  -2.063
  318    HB3  SER  40           HB3      SER  40   1.906  27.063  -3.641
  319    HG   SER  40           HG       SER  40  -0.270  26.700  -3.614
  320    H    ILE  41           H        ILE  41   2.194  24.004  -3.791
  321    HA   ILE  41           HA       ILE  41   4.893  24.510  -4.850
  322    HB   ILE  41           HB       ILE  41   4.765  21.917  -5.305
  323   HG12  ILE  41          HG12      ILE  41   3.690  20.627  -3.550
  324   HG13  ILE  41          HG13      ILE  41   2.965  22.040  -2.805
  325   HG21  ILE  41          HG21      ILE  41   5.304  23.044  -2.531
  326   HG22  ILE  41          HG22      ILE  41   5.951  21.541  -3.214
  327   HG23  ILE  41          HG23      ILE  41   6.422  23.091  -3.914
  328   HD11  ILE  41          HD11      ILE  41   1.437  22.304  -4.603
  329   HD12  ILE  41          HD12      ILE  41   2.443  21.350  -5.717
  330   HD13  ILE  41          HD13      ILE  41   1.530  20.545  -4.407
  331    HA   PRO  42           HA       PRO  42   2.933  24.932  -8.856
  332    HB2  PRO  42           HB2      PRO  42   5.109  24.729 -10.462
  333    HB3  PRO  42           HB3      PRO  42   4.989  26.080  -9.283
  334    HG2  PRO  42           HG2      PRO  42   6.325  23.360  -8.828
  335    HG3  PRO  42           HG3      PRO  42   7.119  24.931  -8.726
  336    HD2  PRO  42           HD2      PRO  42   6.039  23.801  -6.495
  337    HD3  PRO  42           HD3      PRO  42   5.662  25.555  -6.752
  338    H    ASN  43           H        ASN  43   4.276  22.040  -7.597
  339    HA   ASN  43           HA       ASN  43   3.841  20.197  -9.745
  340    HB2  ASN  43           HB2      ASN  43   5.163  19.713  -7.675
  341    HB3  ASN  43           HB3      ASN  43   3.678  19.764  -6.731
  342   HD21  ASN  43          HD21      ASN  43   3.282  17.604  -6.110
  343   HD22  ASN  43          HD22      ASN  43   3.278  16.278  -7.244
  344    H    ASP  44           H        ASP  44   1.623  22.177  -8.061
  345    HA   ASP  44           HA       ASP  44  -0.605  20.731  -9.275
  346    HB2  ASP  44           HB2      ASP  44  -0.496  19.924  -6.906
  347    HB3  ASP  44           HB3      ASP  44  -0.644  21.601  -6.352
  348    H    LYS  45           H        LYS  45  -2.653  22.275  -8.948
  349    HA   LYS  45           HA       LYS  45  -1.913  25.123  -9.174
  350    HB2  LYS  45           HB2      LYS  45  -2.923  25.330 -11.385
  351    HB3  LYS  45           HB3      LYS  45  -1.661  24.098 -11.430
  352    HG2  LYS  45           HG2      LYS  45  -3.396  22.316 -11.307
  353    HG3  LYS  45           HG3      LYS  45  -4.654  23.566 -11.360
  354    HD2  LYS  45           HD2      LYS  45  -3.773  24.336 -13.559
  355    HD3  LYS  45           HD3      LYS  45  -2.551  23.047 -13.500
  356    HE2  LYS  45           HE2      LYS  45  -4.352  21.342 -13.406
  357    HE3  LYS  45           HE3      LYS  45  -5.575  22.622 -13.457
  358    HZ1  LYS  45           HZ1      LYS  45  -5.207  21.666 -15.633
  359    HZ2  LYS  45           HZ2      LYS  45  -4.746  23.227 -15.656
  360    HZ3  LYS  45           HZ3      LYS  45  -3.618  22.041 -15.604
  361    HA   PRO  46           HA       PRO  46  -6.085  25.428  -7.405
  362    HB2  PRO  46           HB2      PRO  46  -6.804  27.966  -8.159
  363    HB3  PRO  46           HB3      PRO  46  -5.652  27.638  -6.820
  364    HG2  PRO  46           HG2      PRO  46  -5.063  28.359  -9.691
  365    HG3  PRO  46           HG3      PRO  46  -4.297  29.018  -8.209
  366    HD2  PRO  46           HD2      PRO  46  -3.133  27.054  -9.728
  367    HD3  PRO  46           HD3      PRO  46  -2.963  27.084  -7.945
  368    H    GLY  47           H        GLY  47  -8.338  26.117  -8.191
  369    HA2  GLY  47           HA2      GLY  47  -9.000  24.859 -10.656
  370    HA3  GLY  47           HA3      GLY  47 -10.033  25.772  -9.526
  371    H    GLY  48           H        GLY  48  -7.548  27.866 -10.428
  372    HA2  GLY  48           HA2      GLY  48  -9.005  28.955 -12.777
  373    HA3  GLY  48           HA3      GLY  48  -8.931  29.899 -11.285
  374    H    SER  49           H        SER  49  -6.091  27.952 -12.069
  375    HA   SER  49           HA       SER  49  -4.821  30.076 -13.630
  376    HB2  SER  49           HB2      SER  49  -3.433  29.093 -11.106
  377    HB3  SER  49           HB3      SER  49  -2.911  30.368 -12.208
  378    HG   SER  49           HG       SER  49  -4.787  31.572 -11.516
  379    H    SER  50           H        SER  50  -3.016  29.272 -14.781
  380    HA   SER  50           HA       SER  50  -3.215  26.561 -15.582
  381    HB2  SER  50           HB2      SER  50  -0.887  28.454 -16.090
  382    HB3  SER  50           HB3      SER  50  -1.432  27.114 -17.112
  383    HG   SER  50           HG       SER  50  -2.145  29.158 -17.895
  384    H    GLN  51           H        GLN  51  -1.079  28.114 -13.185
  385    HA   GLN  51           HA       GLN  51  -0.382  25.608 -12.078
  386    HB2  GLN  51           HB2      GLN  51   1.345  26.318 -14.156
  387    HB3  GLN  51           HB3      GLN  51   2.124  27.074 -12.752
  388    HG2  GLN  51           HG2      GLN  51   2.054  24.898 -11.563
  389    HG3  GLN  51           HG3      GLN  51   1.235  24.171 -12.955
  390   HE21  GLN  51          HE21      GLN  51   3.146  22.627 -12.825
  391   HE22  GLN  51          HE22      GLN  51   4.586  23.060 -13.721
  392    H    ALA  52           H        ALA  52   0.515  25.978  -9.999
  393    HA   ALA  52           HA       ALA  52   0.149  28.642  -8.835
  394    HB1  ALA  52           HB1      ALA  52   1.044  27.563  -6.785
  395    HB2  ALA  52           HB2      ALA  52  -0.273  26.599  -7.501
  396    HB3  ALA  52           HB3      ALA  52   1.418  26.102  -7.716
  397    H    THR  53           H        THR  53   2.111  29.571  -7.658
  398    HA   THR  53           HA       THR  53   4.350  29.845  -9.486
  399    HB   THR  53           HB       THR  53   4.013  30.864  -6.624
  400    HG1  THR  53           HG1      THR  53   2.416  31.720  -7.972
  401   HG21  THR  53          HG21      THR  53   5.683  32.609  -7.518
  402   HG22  THR  53          HG22      THR  53   6.329  30.987  -7.229
  403   HG23  THR  53          HG23      THR  53   5.951  31.486  -8.882
  404    H    LYS  54           H        LYS  54   6.537  29.345  -8.870
  405    HA   LYS  54           HA       LYS  54   7.154  26.769  -7.970
  406    HB2  LYS  54           HB2      LYS  54   8.813  29.300  -7.966
  407    HB3  LYS  54           HB3      LYS  54   9.454  27.703  -7.556
  408    HG2  LYS  54           HG2      LYS  54   8.695  26.835  -9.777
  409    HG3  LYS  54           HG3      LYS  54   8.193  28.462 -10.239
  410    HD2  LYS  54           HD2      LYS  54  11.033  27.625  -9.510
  411    HD3  LYS  54           HD3      LYS  54  10.407  27.823 -11.156
  412    HE2  LYS  54           HE2      LYS  54   9.927  30.219 -10.691
  413    HE3  LYS  54           HE3      LYS  54  10.593  30.038  -9.064
  414    HZ1  LYS  54           HZ1      LYS  54  12.220  30.950 -10.588
  415    HZ2  LYS  54           HZ2      LYS  54  12.731  29.489 -10.072
  416    HZ3  LYS  54           HZ3      LYS  54  12.105  29.657 -11.577
  417    H    GLU  55           H        GLU  55   8.298  26.074  -6.081
  418    HA   GLU  55           HA       GLU  55   6.742  25.987  -3.991
  419    HB2  GLU  55           HB2      GLU  55   8.573  24.546  -4.257
  420    HB3  GLU  55           HB3      GLU  55   9.725  25.829  -3.794
  421    HG2  GLU  55           HG2      GLU  55   8.654  25.903  -1.531
  422    HG3  GLU  55           HG3      GLU  55   7.568  24.597  -2.015
  423    H    ILE  56           H        ILE  56   5.812  27.370  -2.948
  424    HA   ILE  56           HA       ILE  56   6.723  30.095  -2.799
  425    HB   ILE  56           HB       ILE  56   4.238  29.002  -1.449
  426   HG12  ILE  56          HG12      ILE  56   4.593  29.932  -4.346
  427   HG13  ILE  56          HG13      ILE  56   4.289  28.276  -3.843
  428   HG21  ILE  56          HG21      ILE  56   3.397  31.317  -1.815
  429   HG22  ILE  56          HG22      ILE  56   4.881  31.352  -0.885
  430   HG23  ILE  56          HG23      ILE  56   4.924  31.755  -2.607
  431   HD11  ILE  56          HD11      ILE  56   2.380  30.575  -3.814
  432   HD12  ILE  56          HD12      ILE  56   2.247  28.920  -4.466
  433   HD13  ILE  56          HD13      ILE  56   2.154  29.235  -2.675
  434    H    LYS  57           H        LYS  57   7.545  31.157  -1.122
  435    HA   LYS  57           HA       LYS  57   8.652  29.695   1.170
  436    HB2  LYS  57           HB2      LYS  57   8.689  32.595   0.199
  437    HB3  LYS  57           HB3      LYS  57   9.182  32.186   1.829
  438    HG2  LYS  57           HG2      LYS  57  11.141  32.385   0.478
  439    HG3  LYS  57           HG3      LYS  57  10.968  30.718   1.009
  440    HD2  LYS  57           HD2      LYS  57  10.142  30.052  -1.211
  441    HD3  LYS  57           HD3      LYS  57  10.216  31.723  -1.776
  442    HE2  LYS  57           HE2      LYS  57  12.593  30.055  -0.823
  443    HE3  LYS  57           HE3      LYS  57  12.120  30.270  -2.513
  444    HZ1  LYS  57           HZ1      LYS  57  12.555  32.644  -2.268
  445    HZ2  LYS  57           HZ2      LYS  57  13.007  32.442  -0.708
  446    HZ3  LYS  57           HZ3      LYS  57  13.885  31.774  -1.904
  447    HA   PRO  58           HA       PRO  58   5.008  30.645   3.535
  448    HB2  PRO  58           HB2      PRO  58   6.951  31.148   5.806
  449    HB3  PRO  58           HB3      PRO  58   5.441  30.156   5.831
  450    HG2  PRO  58           HG2      PRO  58   7.901  29.009   5.749
  451    HG3  PRO  58           HG3      PRO  58   6.562  28.364   4.742
  452    HD2  PRO  58           HD2      PRO  58   8.775  30.282   3.950
  453    HD3  PRO  58           HD3      PRO  58   8.162  28.820   3.085
  454    H    GLN  59           H        GLN  59   3.939  32.507   3.593
  455    HA   GLN  59           HA       GLN  59   5.225  35.053   4.283
  456    HB2  GLN  59           HB2      GLN  59   3.755  34.467   1.667
  457    HB3  GLN  59           HB3      GLN  59   4.004  36.090   2.291
  458    HG2  GLN  59           HG2      GLN  59   6.277  34.192   1.564
  459    HG3  GLN  59           HG3      GLN  59   5.611  35.426   0.508
  460   HE21  GLN  59          HE21      GLN  59   7.541  34.867   3.440
  461   HE22  GLN  59          HE22      GLN  59   8.194  36.495   3.540
  462    H    LYS  60           H        LYS  60   3.636  36.522   4.988
  463    HA   LYS  60           HA       LYS  60   1.372  35.614   6.330
  464    HB2  LYS  60           HB2      LYS  60   2.002  38.324   5.094
  465    HB3  LYS  60           HB3      LYS  60   0.520  38.027   6.028
  466    HG2  LYS  60           HG2      LYS  60   1.865  37.305   7.985
  467    HG3  LYS  60           HG3      LYS  60   3.356  37.547   7.071
  468    HD2  LYS  60           HD2      LYS  60   3.036  39.413   8.540
  469    HD3  LYS  60           HD3      LYS  60   2.858  39.966   6.865
  470    HE2  LYS  60           HE2      LYS  60   0.381  39.903   7.113
  471    HE3  LYS  60           HE3      LYS  60   0.556  39.312   8.770
  472    HZ1  LYS  60           HZ1      LYS  60   0.169  41.684   8.721
  473    HZ2  LYS  60           HZ2      LYS  60   1.660  41.403   9.319
  474    HZ3  LYS  60           HZ3      LYS  60   1.480  41.949   7.787
  475    H    LEU  61           H        LEU  61  -0.700  35.736   6.061
  476    HA   LEU  61           HA       LEU  61  -1.678  34.626   3.504
  477    HB2  LEU  61           HB2      LEU  61  -1.551  32.945   5.126
  478    HB3  LEU  61           HB3      LEU  61  -1.699  34.026   6.443
  479    HG   LEU  61           HG       LEU  61  -4.294  34.196   5.552
  480   HD11  LEU  61          HD11      LEU  61  -3.779  32.651   3.692
  481   HD12  LEU  61          HD12      LEU  61  -3.213  31.430   4.843
  482   HD13  LEU  61          HD13      LEU  61  -4.930  31.939   4.842
  483   HD21  LEU  61          HD21      LEU  61  -4.779  32.582   7.323
  484   HD22  LEU  61          HD22      LEU  61  -3.043  32.189   7.402
  485   HD23  LEU  61          HD23      LEU  61  -3.593  33.812   7.809
  486    H    GLY  62           H        GLY  62  -3.934  34.856   3.017
  487    HA2  GLY  62           HA2      GLY  62  -6.055  35.791   3.649
  488    HA3  GLY  62           HA3      GLY  62  -5.268  37.239   4.258
  489    H    GLU  63           H        GLU  63  -4.420  35.695   1.143
  490    HA   GLU  63           HA       GLU  63  -4.949  38.302  -0.180
  491    HB2  GLU  63           HB2      GLU  63  -3.616  35.741  -1.177
  492    HB3  GLU  63           HB3      GLU  63  -3.875  37.211  -2.136
  493    HG2  GLU  63           HG2      GLU  63  -2.559  38.475  -0.335
  494    HG3  GLU  63           HG3      GLU  63  -2.103  36.896   0.318
  495    H    ASP  64           H        ASP  64  -6.063  34.912  -0.116
  496    HA   ASP  64           HA       ASP  64  -8.546  35.653  -1.546
  497    HB2  ASP  64           HB2      ASP  64  -6.775  35.178  -3.288
  498    HB3  ASP  64           HB3      ASP  64  -6.646  33.546  -2.644
  499    H    GLU  65           H        GLU  65  -7.274  34.219   1.045
  500    HA   GLU  65           HA       GLU  65  -9.258  32.074   1.334
  501    HB2  GLU  65           HB2      GLU  65  -7.600  30.378   1.671
  502    HB3  GLU  65           HB3      GLU  65  -7.286  31.085   0.096
  503    HG2  GLU  65           HG2      GLU  65  -5.764  31.644   2.656
  504    HG3  GLU  65           HG3      GLU  65  -5.294  30.564   1.358
  505    H    SER  66           H        SER  66  -9.070  31.189   3.644
  506    HA   SER  66           HA       SER  66  -7.287  32.526   5.509
  507    HB2  SER  66           HB2      SER  66 -10.317  32.844   5.745
  508    HB3  SER  66           HB3      SER  66  -9.165  33.126   7.059
  509    HG   SER  66           HG       SER  66  -8.624  34.429   4.664
  510    H    ILE  67           H        ILE  67  -6.792  31.031   7.081
  511    HA   ILE  67           HA       ILE  67  -8.337  28.513   7.186
  512    HB   ILE  67           HB       ILE  67  -6.493  28.197   9.045
  513   HG12  ILE  67          HG12      ILE  67  -5.179  30.336   8.448
  514   HG13  ILE  67          HG13      ILE  67  -4.327  28.848   8.605
  515   HG21  ILE  67          HG21      ILE  67  -6.838  26.541   7.545
  516   HG22  ILE  67          HG22      ILE  67  -6.105  27.523   6.215
  517   HG23  ILE  67          HG23      ILE  67  -5.135  26.917   7.624
  518   HD11  ILE  67          HD11      ILE  67  -3.619  30.209   6.676
  519   HD12  ILE  67          HD12      ILE  67  -4.080  28.562   6.258
  520   HD13  ILE  67          HD13      ILE  67  -5.206  29.904   5.929
  521    HA   PRO  68           HA       PRO  68 -10.216  30.668  10.811
  522    HB2  PRO  68           HB2      PRO  68 -12.056  28.730  11.507
  523    HB3  PRO  68           HB3      PRO  68 -12.317  29.946  10.217
  524    HG2  PRO  68           HG2      PRO  68 -11.393  27.080   9.924
  525    HG3  PRO  68           HG3      PRO  68 -12.630  27.957   8.971
  526    HD2  PRO  68           HD2      PRO  68 -10.088  27.659   8.067
  527    HD3  PRO  68           HD3      PRO  68 -10.999  29.157   7.768
  528    H    GLU  69           H        GLU  69 -10.041  30.333  13.080
  529    HA   GLU  69           HA       GLU  69  -7.746  29.033  13.958
  530    HB2  GLU  69           HB2      GLU  69 -10.118  29.853  15.637
  531    HB3  GLU  69           HB3      GLU  69  -8.478  29.469  16.209
  532    HG2  GLU  69           HG2      GLU  69  -7.565  31.328  14.834
  533    HG3  GLU  69           HG3      GLU  69  -9.201  31.757  14.332
  534    H    GLU  70           H        GLU  70 -10.936  27.752  13.527
  535    HA   GLU  70           HA       GLU  70 -11.085  25.501  15.170
  536    HB2  GLU  70           HB2      GLU  70 -12.877  26.433  13.687
  537    HB3  GLU  70           HB3      GLU  70 -11.992  25.850  12.280
  538    HG2  GLU  70           HG2      GLU  70 -12.221  23.485  13.255
  539    HG3  GLU  70           HG3      GLU  70 -13.309  24.182  14.463
  540    H    ILE  71           H        ILE  71  -9.391  25.892  12.032
  541    HA   ILE  71           HA       ILE  71  -8.519  23.046  12.170
  542    HB   ILE  71           HB       ILE  71  -8.052  23.257   9.787
  543   HG12  ILE  71          HG12      ILE  71  -9.377  25.997   9.878
  544   HG13  ILE  71          HG13      ILE  71  -7.668  25.711   9.564
  545   HG21  ILE  71          HG21      ILE  71 -10.327  23.098   9.071
  546   HG22  ILE  71          HG22      ILE  71 -10.259  22.489  10.726
  547   HG23  ILE  71          HG23      ILE  71 -10.893  24.123  10.403
  548   HD11  ILE  71          HD11      ILE  71 -10.004  24.818   7.783
  549   HD12  ILE  71          HD12      ILE  71  -8.861  26.090   7.441
  550   HD13  ILE  71          HD13      ILE  71  -8.290  24.419   7.504
  551    H    ILE  72           H        ILE  72  -7.328  26.328  12.276
  552    HA   ILE  72           HA       ILE  72  -4.857  26.208  11.231
  553    HB   ILE  72           HB       ILE  72  -6.397  27.792  13.162
  554   HG12  ILE  72          HG12      ILE  72  -4.701  28.117  10.726
  555   HG13  ILE  72          HG13      ILE  72  -6.455  28.213  11.012
  556   HG21  ILE  72          HG21      ILE  72  -4.772  29.264  14.044
  557   HG22  ILE  72          HG22      ILE  72  -4.586  27.651  14.690
  558   HG23  ILE  72          HG23      ILE  72  -3.440  28.238  13.436
  559   HD11  ILE  72          HD11      ILE  72  -5.461  30.285  10.486
  560   HD12  ILE  72          HD12      ILE  72  -6.139  30.295  12.151
  561   HD13  ILE  72          HD13      ILE  72  -4.357  30.153  11.870
  562    H    ASN  73           H        ASN  73  -5.698  25.069  14.329
  563    HA   ASN  73           HA       ASN  73  -3.148  24.965  15.590
  564    HB2  ASN  73           HB2      ASN  73  -4.447  23.684  17.248
  565    HB3  ASN  73           HB3      ASN  73  -5.245  25.192  16.733
  566   HD21  ASN  73          HD21      ASN  73  -7.337  25.092  15.789
  567   HD22  ASN  73          HD22      ASN  73  -8.113  23.604  15.349
  568    H    GLY  74           H        GLY  74  -3.973  23.307  13.009
  569    HA2  GLY  74           HA2      GLY  74  -1.990  21.190  13.444
  570    HA3  GLY  74           HA3      GLY  74  -3.608  20.602  13.020
  571    H    LYS  75           H        LYS  75  -1.976  19.937  11.426
  572    HA   LYS  75           HA       LYS  75  -1.172  21.562   9.242
  573    HB2  LYS  75           HB2      LYS  75  -1.694  18.629   9.719
  574    HB3  LYS  75           HB3      LYS  75  -1.671  19.175   8.048
  575    HG2  LYS  75           HG2      LYS  75   0.535  19.558  10.086
  576    HG3  LYS  75           HG3      LYS  75   0.495  18.350   8.756
  577    HD2  LYS  75           HD2      LYS  75   0.073  20.617   7.318
  578    HD3  LYS  75           HD3      LYS  75   1.023  21.304   8.638
  579    HE2  LYS  75           HE2      LYS  75   1.815  19.055   6.762
  580    HE3  LYS  75           HE3      LYS  75   2.339  20.736   6.679
  581    HZ1  LYS  75           HZ1      LYS  75   2.971  18.874   8.905
  582    HZ2  LYS  75           HZ2      LYS  75   4.020  19.379   7.754
  583    HZ3  LYS  75           HZ3      LYS  75   3.430  20.449   8.842
  584    H    CYS  76           H        CYS  76  -2.206  22.372   7.554
  585    HA   CYS  76           HA       CYS  76  -5.038  21.633   7.116
  586    HB2  CYS  76           HB2      CYS  76  -4.000  24.505   7.202
  587    HB3  CYS  76           HB3      CYS  76  -5.595  24.017   6.656
  588    HG   CYS  76           HG       CYS  76  -4.248  23.466   9.649
  589    H    PHE  77           H        PHE  77  -5.680  21.939   4.968
  590    HA   PHE  77           HA       PHE  77  -3.482  22.503   3.038
  591    HB2  PHE  77           HB2      PHE  77  -5.434  20.185   2.813
  592    HB3  PHE  77           HB3      PHE  77  -4.098  20.591   1.738
  593    HD1  PHE  77           HD1      PHE  77  -1.716  20.367   2.612
  594    HD2  PHE  77           HD2      PHE  77  -5.122  19.115   4.874
  595    HE1  PHE  77           HE1      PHE  77  -0.195  19.208   4.230
  596    HE2  PHE  77           HE2      PHE  77  -3.635  18.044   6.543
  597    HZ   PHE  77           HZ       PHE  77  -1.151  18.033   6.176
  598    H    PHE  78           H        PHE  78  -4.222  23.972   1.626
  599    HA   PHE  78           HA       PHE  78  -7.016  24.763   1.209
  600    HB2  PHE  78           HB2      PHE  78  -5.009  26.334   1.065
  601    HB3  PHE  78           HB3      PHE  78  -4.570  25.450  -0.393
  602    HD1  PHE  78           HD1      PHE  78  -7.290  27.475   1.169
  603    HD2  PHE  78           HD2      PHE  78  -5.613  25.878  -2.451
  604    HE1  PHE  78           HE1      PHE  78  -8.774  28.949  -0.180
  605    HE2  PHE  78           HE2      PHE  78  -6.988  27.426  -3.792
  606    HZ   PHE  78           HZ       PHE  78  -8.547  29.018  -2.648
  607    H    ILE  79           H        ILE  79  -8.246  23.367   0.009
  608    HA   ILE  79           HA       ILE  79  -6.832  21.628  -1.933
  609    HB   ILE  79           HB       ILE  79  -8.692  19.980  -1.311
  610   HG12  ILE  79          HG12      ILE  79  -8.931  21.605   1.214
  611   HG13  ILE  79          HG13      ILE  79  -9.985  21.904  -0.179
  612   HG21  ILE  79          HG21      ILE  79  -6.669  19.274  -0.486
  613   HG22  ILE  79          HG22      ILE  79  -6.340  20.759   0.436
  614   HG23  ILE  79          HG23      ILE  79  -7.492  19.592   1.042
  615   HD11  ILE  79          HD11      ILE  79 -11.176  20.708   1.344
  616   HD12  ILE  79          HD12      ILE  79 -10.925  19.744  -0.117
  617   HD13  ILE  79          HD13      ILE  79  -9.988  19.359   1.370
  618    H    HIS  80           H        HIS  80  -7.753  21.195  -3.887
  619    HA   HIS  80           HA       HIS  80 -10.073  22.880  -4.656
  620    HB2  HIS  80           HB2      HIS  80  -8.167  22.307  -6.242
  621    HB3  HIS  80           HB3      HIS  80  -8.828  20.653  -6.253
  622    HD2  HIS  80           HD2      HIS  80  -9.649  24.230  -7.406
  623    HE1  HIS  80           HE1      HIS  80 -12.374  21.594  -9.381
  624    HE2  HIS  80           HE2      HIS  80 -11.517  23.974  -9.275
  625    H    TYR  81           H        TYR  81 -11.992  22.216  -4.119
  626    HA   TYR  81           HA       TYR  81 -12.494  19.505  -3.118
  627    HB2  TYR  81           HB2      TYR  81 -14.160  21.980  -3.358
  628    HB3  TYR  81           HB3      TYR  81 -14.931  20.437  -3.125
  629    HD1  TYR  81           HD1      TYR  81 -13.549  18.962  -1.212
  630    HD2  TYR  81           HD2      TYR  81 -14.065  23.233  -1.271
  631    HE1  TYR  81           HE1      TYR  81 -13.759  18.955   1.255
  632    HE2  TYR  81           HE2      TYR  81 -14.306  23.243   1.182
  633    HH   TYR  81           HH       TYR  81 -14.230  20.248   3.154
  634    H    GLN  82           H        GLN  82 -12.461  18.001  -4.683
  635    HA   GLN  82           HA       GLN  82 -13.214  18.679  -7.444
  636    HB2  GLN  82           HB2      GLN  82 -12.443  15.927  -6.469
  637    HB3  GLN  82           HB3      GLN  82 -12.366  16.574  -8.092
  638    HG2  GLN  82           HG2      GLN  82 -10.565  18.174  -7.302
  639    HG3  GLN  82           HG3      GLN  82 -10.629  17.361  -5.726
  640   HE21  GLN  82          HE21      GLN  82  -9.292  15.679  -5.400
  641   HE22  GLN  82          HE22      GLN  82  -8.504  14.771  -6.674
  642    H    GLY  83           H        GLY  83 -14.752  17.280  -8.649
  643    HA2  GLY  83           HA2      GLY  83 -16.863  16.376  -8.920
  644    HA3  GLY  83           HA3      GLY  83 -16.923  15.973  -7.192
  645    H    TRP  84           H        TRP  84 -16.003  19.212  -7.423
  646    HA   TRP  84           HA       TRP  84 -18.789  20.228  -7.545
  647    HB2  TRP  84           HB2      TRP  84 -16.869  20.768  -5.227
  648    HB3  TRP  84           HB3      TRP  84 -18.460  21.509  -5.489
  649    HD1  TRP  84           HD1      TRP  84 -16.995  18.713  -3.632
  650    HE1  TRP  84           HE1      TRP  84 -18.912  17.314  -2.631
  651    HE3  TRP  84           HE3      TRP  84 -20.829  20.466  -6.484
  652    HZ2  TRP  84           HZ2      TRP  84 -21.749  17.162  -2.904
  653    HZ3  TRP  84           HZ3      TRP  84 -23.177  19.696  -6.087
  654    HH2  TRP  84           HH2      TRP  84 -23.652  18.040  -4.297
  655    H    LYS  85           H        LYS  85 -18.671  22.749  -7.290
  656    HA   LYS  85           HA       LYS  85 -17.480  23.587  -9.758
  657    HB2  LYS  85           HB2      LYS  85 -18.457  25.290  -7.412
  658    HB3  LYS  85           HB3      LYS  85 -18.195  25.857  -9.056
  659    HG2  LYS  85           HG2      LYS  85 -20.372  23.913  -8.143
  660    HG3  LYS  85           HG3      LYS  85 -20.548  25.603  -8.558
  661    HD2  LYS  85           HD2      LYS  85 -21.325  24.610 -10.460
  662    HD3  LYS  85           HD3      LYS  85 -19.650  24.947 -10.917
  663    HE2  LYS  85           HE2      LYS  85 -19.090  22.547 -10.384
  664    HE3  LYS  85           HE3      LYS  85 -20.764  22.284  -9.885
  665    HZ1  LYS  85           HZ1      LYS  85 -21.454  22.763 -12.156
  666    HZ2  LYS  85           HZ2      LYS  85 -19.906  23.014 -12.626
  667    HZ3  LYS  85           HZ3      LYS  85 -20.386  21.529 -12.142
  668    H    SER  86           H        SER  86 -15.538  24.596 -10.175
  669    HA   SER  86           HA       SER  86 -13.407  24.529  -8.392
  670    HB2  SER  86           HB2      SER  86 -13.844  26.311 -10.827
  671    HB3  SER  86           HB3      SER  86 -12.284  26.037 -10.038
  672    HG   SER  86           HG       SER  86 -12.757  24.611 -11.859
  673    H    SER  87           H        SER  87 -15.985  26.866  -8.235
  674    HA   SER  87           HA       SER  87 -14.603  28.994  -6.942
  675    HB2  SER  87           HB2      SER  87 -17.391  27.976  -6.307
  676    HB3  SER  87           HB3      SER  87 -16.773  29.624  -6.135
  677    HG   SER  87           HG       SER  87 -18.032  29.408  -8.035
  678    H    TRP  88           H        TRP  88 -15.508  25.737  -5.924
  679    HA   TRP  88           HA       TRP  88 -14.941  26.151  -3.097
  680    HB2  TRP  88           HB2      TRP  88 -15.508  23.628  -4.697
  681    HB3  TRP  88           HB3      TRP  88 -15.196  23.745  -2.979
  682    HD1  TRP  88           HD1      TRP  88 -17.711  26.113  -4.663
  683    HE1  TRP  88           HE1      TRP  88 -19.940  25.733  -3.535
  684    HE3  TRP  88           HE3      TRP  88 -16.454  22.111  -1.743
  685    HZ2  TRP  88           HZ2      TRP  88 -21.195  23.653  -1.883
  686    HZ3  TRP  88           HZ3      TRP  88 -18.200  20.910  -0.437
  687    HH2  TRP  88           HH2      TRP  88 -20.558  21.673  -0.498
  688    H    ASP  89           H        ASP  89 -12.851  27.072  -3.514
  689    HA   ASP  89           HA       ASP  89 -10.716  24.982  -3.516
  690    HB2  ASP  89           HB2      ASP  89 -10.839  27.629  -4.932
  691    HB3  ASP  89           HB3      ASP  89  -9.398  27.329  -4.000
  692    H    GLU  90           H        GLU  90 -10.877  24.640  -1.242
  693    HA   GLU  90           HA       GLU  90 -10.759  27.081   0.519
  694    HB2  GLU  90           HB2      GLU  90 -13.102  26.135   0.128
  695    HB3  GLU  90           HB3      GLU  90 -12.482  24.592   0.764
  696    HG2  GLU  90           HG2      GLU  90 -12.821  25.184   2.869
  697    HG3  GLU  90           HG3      GLU  90 -11.928  26.687   2.692
  698    H    TRP  91           H        TRP  91  -9.394  26.704   2.426
  699    HA   TRP  91           HA       TRP  91  -8.171  24.123   2.613
  700    HB2  TRP  91           HB2      TRP  91  -8.173  25.643   5.138
  701    HB3  TRP  91           HB3      TRP  91  -6.891  24.769   4.344
  702    HD1  TRP  91           HD1      TRP  91  -8.742  28.089   4.208
  703    HE1  TRP  91           HE1      TRP  91  -7.046  29.950   3.993
  704    HE3  TRP  91           HE3      TRP  91  -4.437  25.323   3.753
  705    HZ2  TRP  91           HZ2      TRP  91  -4.245  30.230   3.220
  706    HZ3  TRP  91           HZ3      TRP  91  -2.280  26.454   3.231
  707    HH2  TRP  91           HH2      TRP  91  -2.260  28.947   2.843
  708    H    VAL  92           H        VAL  92  -8.133  22.676   4.228
  709    HA   VAL  92           HA       VAL  92 -10.282  22.650   6.261
  710    HB   VAL  92           HB       VAL  92 -10.473  20.124   5.954
  711   HG11  VAL  92          HG11      VAL  92 -12.095  20.179   4.211
  712   HG12  VAL  92          HG12      VAL  92 -12.277  21.633   5.223
  713   HG13  VAL  92          HG13      VAL  92 -11.505  21.756   3.619
  714   HG21  VAL  92          HG21      VAL  92  -8.527  19.805   4.525
  715   HG22  VAL  92          HG22      VAL  92 -10.027  19.171   3.800
  716   HG23  VAL  92          HG23      VAL  92  -9.309  20.691   3.220
  717    H    GLY  93           H        GLY  93  -9.668  21.175   8.039
  718    HA2  GLY  93           HA2      GLY  93  -6.712  20.971   8.383
  719    HA3  GLY  93           HA3      GLY  93  -7.912  20.959   9.671
  720    H    TYR  94           H        TYR  94  -6.091  19.008   9.590
  721    HA   TYR  94           HA       TYR  94  -6.822  16.569   8.384
  722    HB2  TYR  94           HB2      TYR  94  -5.029  17.567  10.388
  723    HB3  TYR  94           HB3      TYR  94  -5.802  16.109  11.031
  724    HD1  TYR  94           HD1      TYR  94  -6.026  14.146   9.306
  725    HD2  TYR  94           HD2      TYR  94  -3.320  17.436   8.914
  726    HE1  TYR  94           HE1      TYR  94  -4.815  12.912   7.523
  727    HE2  TYR  94           HE2      TYR  94  -2.058  16.195   7.143
  728    HH   TYR  94           HH       TYR  94  -2.946  12.909   6.075
  729    H    ASP  95           H        ASP  95  -8.303  18.279  10.900
  730    HA   ASP  95           HA       ASP  95  -9.923  16.426  12.235
  731    HB2  ASP  95           HB2      ASP  95  -9.896  18.808  12.821
  732    HB3  ASP  95           HB3      ASP  95 -10.542  19.242  11.239
  733    H    ARG  96           H        ARG  96 -10.088  17.494   8.900
  734    HA   ARG  96           HA       ARG  96 -12.412  15.665   8.483
  735    HB2  ARG  96           HB2      ARG  96 -11.870  18.393   7.228
  736    HB3  ARG  96           HB3      ARG  96 -13.083  17.241   6.634
  737    HG2  ARG  96           HG2      ARG  96 -14.169  17.214   8.861
  738    HG3  ARG  96           HG3      ARG  96 -13.012  18.407   9.450
  739    HD2  ARG  96           HD2      ARG  96 -14.913  18.923   7.139
  740    HD3  ARG  96           HD3      ARG  96 -15.297  19.282   8.815
  741    HE   ARG  96           HE       ARG  96 -13.665  20.814   7.030
  742   HH11  ARG  96          HH11      ARG  96 -13.700  20.099  10.595
  743   HH12  ARG  96          HH12      ARG  96 -13.737  21.810  10.947
  744   HH21  ARG  96          HH21      ARG  96 -13.462  23.036   7.748
  745   HH22  ARG  96          HH22      ARG  96 -13.479  23.344   9.476
  746    H    ILE  97           H        ILE  97  -9.222  16.788   7.175
  747    HA   ILE  97           HA       ILE  97  -9.746  15.007   4.897
  748    HB   ILE  97           HB       ILE  97  -9.165  17.437   4.764
  749   HG12  ILE  97          HG12      ILE  97  -7.457  15.521   3.117
  750   HG13  ILE  97          HG13      ILE  97  -9.046  16.156   2.696
  751   HG21  ILE  97          HG21      ILE  97  -7.154  18.292   5.059
  752   HG22  ILE  97          HG22      ILE  97  -7.098  17.146   6.414
  753   HG23  ILE  97          HG23      ILE  97  -6.242  16.754   4.886
  754   HD11  ILE  97          HD11      ILE  97  -7.957  18.457   2.859
  755   HD12  ILE  97          HD12      ILE  97  -6.408  17.599   2.789
  756   HD13  ILE  97          HD13      ILE  97  -7.589  17.440   1.477
  757    H    ARG  98           H        ARG  98  -8.260  13.696   3.936
  758    HA   ARG  98           HA       ARG  98  -5.621  13.358   5.073
  759    HB2  ARG  98           HB2      ARG  98  -6.464  10.663   4.552
  760    HB3  ARG  98           HB3      ARG  98  -5.575  11.305   5.873
  761    HG2  ARG  98           HG2      ARG  98  -7.487  10.097   6.664
  762    HG3  ARG  98           HG3      ARG  98  -7.658  11.784   7.122
  763    HD2  ARG  98           HD2      ARG  98  -9.460  12.132   5.651
  764    HD3  ARG  98           HD3      ARG  98  -8.906  10.891   4.533
  765    HE   ARG  98           HE       ARG  98  -9.999   9.261   5.696
  766   HH11  ARG  98          HH11      ARG  98 -10.134  12.236   7.651
  767   HH12  ARG  98          HH12      ARG  98 -11.149  11.554   8.869
  768   HH21  ARG  98          HH21      ARG  98 -11.363   8.382   7.281
  769   HH22  ARG  98          HH22      ARG  98 -11.859   9.298   8.658
  770    H    ALA  99           H        ALA  99  -4.230  12.043   3.473
  771    HA   ALA  99           HA       ALA  99  -4.668  12.940   0.825
  772    HB1  ALA  99           HB1      ALA  99  -2.462  12.220   1.887
  773    HB2  ALA  99           HB2      ALA  99  -3.026  10.570   1.622
  774    HB3  ALA  99           HB3      ALA  99  -2.720  11.706   0.244
  775    H    TYR 100           H        TYR 100  -4.543  11.455  -1.056
  776    HA   TYR 100           HA       TYR 100  -6.775   9.767  -1.309
  777    HB2  TYR 100           HB2      TYR 100  -4.981  10.926  -3.013
  778    HB3  TYR 100           HB3      TYR 100  -4.466   9.261  -3.091
  779    HD1  TYR 100           HD1      TYR 100  -7.718  11.227  -3.109
  780    HD2  TYR 100           HD2      TYR 100  -5.564   7.811  -4.640
  781    HE1  TYR 100           HE1      TYR 100  -9.607  10.714  -4.600
  782    HE2  TYR 100           HE2      TYR 100  -7.462   7.286  -6.130
  783    HH   TYR 100           HH       TYR 100 -10.438   9.307  -6.257
  784    H    ASN 101           H        ASN 101  -7.033   7.623  -0.780
  785    HA   ASN 101           HA       ASN 101  -5.145   5.621  -1.248
  786    HB2  ASN 101           HB2      ASN 101  -4.534   4.774   0.939
  787    HB3  ASN 101           HB3      ASN 101  -3.956   6.415   0.814
  788   HD21  ASN 101          HD21      ASN 101  -4.954   8.089   2.017
  789   HD22  ASN 101          HD22      ASN 101  -5.916   7.676   3.423
  790    H    GLU 102           H        GLU 102  -5.778   3.490  -0.341
  791    HA   GLU 102           HA       GLU 102  -8.349   2.895  -1.206
  792    HB2  GLU 102           HB2      GLU 102  -6.328   1.308   0.449
  793    HB3  GLU 102           HB3      GLU 102  -7.820   0.616  -0.149
  794    HG2  GLU 102           HG2      GLU 102  -6.056   0.004  -1.658
  795    HG3  GLU 102           HG3      GLU 102  -7.195   1.065  -2.476
  796    H    GLU 103           H        GLU 103  -7.277   3.495   2.169
  797    HA   GLU 103           HA       GLU 103  -9.729   2.447   3.339
  798    HB2  GLU 103           HB2      GLU 103  -8.117   2.397   4.901
  799    HB3  GLU 103           HB3      GLU 103  -7.248   3.787   4.296
  800    HG2  GLU 103           HG2      GLU 103  -8.807   5.332   5.334
  801    HG3  GLU 103           HG3      GLU 103  -9.837   3.983   5.866
  802    H    ASN 104           H        ASN 104  -8.796   5.471   1.763
  803    HA   ASN 104           HA       ASN 104 -11.104   6.923   2.966
  804    HB2  ASN 104           HB2      ASN 104  -8.890   7.877   1.194
  805    HB3  ASN 104           HB3      ASN 104 -10.281   8.818   1.784
  806   HD21  ASN 104          HD21      ASN 104  -7.323   9.167   2.352
  807   HD22  ASN 104          HD22      ASN 104  -7.217   8.988   4.099
  808    H    ILE 105           H        ILE 105 -10.141   5.164   0.145
  809    HA   ILE 105           HA       ILE 105 -12.487   5.924  -1.418
  810    HB   ILE 105           HB       ILE 105 -10.178   4.026  -1.488
  811   HG12  ILE 105          HG12      ILE 105  -9.315   5.416  -3.042
  812   HG13  ILE 105          HG13      ILE 105 -10.895   5.750  -3.803
  813   HG21  ILE 105          HG21      ILE 105 -10.969   3.239  -3.714
  814   HG22  ILE 105          HG22      ILE 105 -11.882   2.661  -2.304
  815   HG23  ILE 105          HG23      ILE 105 -12.557   3.968  -3.307
  816   HD11  ILE 105          HD11      ILE 105  -9.762   7.785  -3.055
  817   HD12  ILE 105          HD12      ILE 105 -11.309   7.591  -2.194
  818   HD13  ILE 105          HD13      ILE 105  -9.749   7.207  -1.403
  819    H    ALA 106           H        ALA 106 -11.630   3.484   1.046
  820    HA   ALA 106           HA       ALA 106 -13.978   1.880   0.614
  821    HB1  ALA 106           HB1      ALA 106 -12.218   2.196   3.086
  822    HB2  ALA 106           HB2      ALA 106 -13.342   0.858   2.745
  823    HB3  ALA 106           HB3      ALA 106 -11.899   1.110   1.724
  824    H    MET 107           H        MET 107 -13.103   4.597   2.818
  825    HA   MET 107           HA       MET 107 -15.735   4.847   3.903
  826    HB2  MET 107           HB2      MET 107 -14.989   6.628   5.099
  827    HB3  MET 107           HB3      MET 107 -13.426   5.936   4.612
  828    HG2  MET 107           HG2      MET 107 -13.684   7.670   2.651
  829    HG3  MET 107           HG3      MET 107 -14.810   8.448   3.755
  830    HE1  MET 107           HE1      MET 107 -12.589   9.664   2.454
  831    HE2  MET 107           HE2      MET 107 -13.029  10.703   3.863
  832    HE3  MET 107           HE3      MET 107 -11.323  10.332   3.560
  833    H    LYS 108           H        LYS 108 -14.203   6.354   0.959
  834    HA   LYS 108           HA       LYS 108 -16.302   7.957   0.225
  835    HB2  LYS 108           HB2      LYS 108 -14.249   7.951  -1.136
  836    HB3  LYS 108           HB3      LYS 108 -14.510   6.291  -1.581
  837    HG2  LYS 108           HG2      LYS 108 -15.014   7.597  -3.471
  838    HG3  LYS 108           HG3      LYS 108 -16.465   6.813  -2.922
  839    HD2  LYS 108           HD2      LYS 108 -17.434   8.838  -3.208
  840    HD3  LYS 108           HD3      LYS 108 -16.766   9.234  -1.637
  841    HE2  LYS 108           HE2      LYS 108 -15.960  11.009  -2.919
  842    HE3  LYS 108           HE3      LYS 108 -14.591   9.871  -3.026
  843    HZ1  LYS 108           HZ1      LYS 108 -15.147  10.741  -5.215
  844    HZ2  LYS 108           HZ2      LYS 108 -15.497   9.143  -5.184
  845    HZ3  LYS 108           HZ3      LYS 108 -16.707  10.245  -5.080
  846    H    LYS 109           H        LYS 109 -15.774   4.571  -0.981
  847    HA   LYS 109           HA       LYS 109 -18.235   4.476  -2.332
  848    HB2  LYS 109           HB2      LYS 109 -17.753   2.193  -2.813
  849    HB3  LYS 109           HB3      LYS 109 -16.218   3.065  -2.785
  850    HG2  LYS 109           HG2      LYS 109 -15.846   2.140  -0.484
  851    HG3  LYS 109           HG3      LYS 109 -17.298   1.157  -0.701
  852    HD2  LYS 109           HD2      LYS 109 -16.330   0.186  -2.789
  853    HD3  LYS 109           HD3      LYS 109 -14.864   1.182  -2.580
  854    HE2  LYS 109           HE2      LYS 109 -14.432   0.158  -0.445
  855    HE3  LYS 109           HE3      LYS 109 -15.948  -0.764  -0.544
  856    HZ1  LYS 109           HZ1      LYS 109 -13.619  -1.105  -2.360
  857    HZ2  LYS 109           HZ2      LYS 109 -14.031  -2.132  -1.162
  858    HZ3  LYS 109           HZ3      LYS 109 -15.019  -1.954  -2.446
  859    H    ARG 110           H        ARG 110 -17.502   3.433   1.000
  860    HA   ARG 110           HA       ARG 110 -20.032   2.187   1.518
  861    HB2  ARG 110           HB2      ARG 110 -18.042   1.904   2.923
  862    HB3  ARG 110           HB3      ARG 110 -18.040   3.602   3.369
  863    HG2  ARG 110           HG2      ARG 110 -20.492   1.910   3.978
  864    HG3  ARG 110           HG3      ARG 110 -19.031   1.738   4.962
  865    HD2  ARG 110           HD2      ARG 110 -19.039   4.136   5.478
  866    HD3  ARG 110           HD3      ARG 110 -20.513   4.358   4.520
  867    HE   ARG 110           HE       ARG 110 -21.076   2.335   6.357
  868   HH11  ARG 110          HH11      ARG 110 -20.251   5.779   6.502
  869   HH12  ARG 110          HH12      ARG 110 -21.141   6.079   7.952
  870   HH21  ARG 110          HH21      ARG 110 -22.242   2.712   8.298
  871   HH22  ARG 110          HH22      ARG 110 -22.272   4.283   9.019
  872    H    LEU 111           H        LEU 111 -18.942   5.639   1.874
  873    HA   LEU 111           HA       LEU 111 -21.514   6.490   2.893
  874    HB2  LEU 111           HB2      LEU 111 -19.405   8.009   1.308
  875    HB3  LEU 111           HB3      LEU 111 -20.802   8.701   2.128
  876    HG   LEU 111           HG       LEU 111 -18.821   7.145   3.778
  877   HD11  LEU 111          HD11      LEU 111 -17.417   9.107   3.996
  878   HD12  LEU 111          HD12      LEU 111 -17.605   8.809   2.275
  879   HD13  LEU 111          HD13      LEU 111 -18.561  10.088   3.033
  880   HD21  LEU 111          HD21      LEU 111 -19.632   8.721   5.506
  881   HD22  LEU 111          HD22      LEU 111 -20.693   9.497   4.296
  882   HD23  LEU 111          HD23      LEU 111 -20.963   7.817   4.771
  883    H    ALA 112           H        ALA 112 -20.031   6.436  -0.341
  884    HA   ALA 112           HA       ALA 112 -22.050   7.719  -1.759
  885    HB1  ALA 112           HB1      ALA 112 -19.809   7.205  -2.659
  886    HB2  ALA 112           HB2      ALA 112 -20.256   5.484  -2.775
  887    HB3  ALA 112           HB3      ALA 112 -21.097   6.690  -3.766
  888    H    ASN 113           H        ASN 113 -22.304   4.516  -0.367
  889    HA   ASN 113           HA       ASN 113 -24.426   3.582  -2.063
  890    HB2  ASN 113           HB2      ASN 113 -24.483   1.811  -0.733
  891    HB3  ASN 113           HB3      ASN 113 -23.054   2.463   0.036
  892   HD21  ASN 113          HD21      ASN 113 -23.317   3.504   2.154
  893   HD22  ASN 113          HD22      ASN 113 -24.735   3.173   3.121
  894    H    LEU 114           H        LEU 114 -24.358   6.022   0.475
  895    HA   LEU 114           HA       LEU 114 -27.220   6.207   0.867
  896    HB2  LEU 114           HB2      LEU 114 -25.483   6.763   2.562
  897    HB3  LEU 114           HB3      LEU 114 -24.968   8.121   1.594
  898    HG   LEU 114           HG       LEU 114 -26.393   8.588   3.609
  899   HD11  LEU 114          HD11      LEU 114 -27.525   9.778   1.057
  900   HD12  LEU 114          HD12      LEU 114 -27.524  10.469   2.682
  901   HD13  LEU 114          HD13      LEU 114 -25.990  10.258   1.822
  902   HD21  LEU 114          HD21      LEU 114 -28.782   8.392   3.513
  903   HD22  LEU 114          HD22      LEU 114 -28.718   7.683   1.888
  904   HD23  LEU 114          HD23      LEU 114 -28.062   6.789   3.274
  905    H    GLU 115           H        GLU 115 -24.737   7.912  -1.032
  906    HA   GLU 115           HA       GLU 115 -26.233  10.134  -1.860
  907    HB2  GLU 115           HB2      GLU 115 -23.759   9.872  -2.029
  908    HB3  GLU 115           HB3      GLU 115 -23.986   8.715  -3.337
  909    HG2  GLU 115           HG2      GLU 115 -23.402  10.794  -4.328
  910    HG3  GLU 115           HG3      GLU 115 -25.096  10.508  -4.700
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  -4.527  -2.373   0.906
    2    H2   MET   1           H2       MET   1  -3.217  -1.951   0.028
    3    H3   MET   1           H3       MET   1  -3.008  -2.838   1.387
    4    HA   MET   1           HA       MET   1  -4.131  -0.137   1.337
    5    HB2  MET   1           HB2      MET   1  -4.835  -1.434   3.284
    6    HB3  MET   1           HB3      MET   1  -3.163  -1.861   3.659
    7    HG2  MET   1           HG2      MET   1  -4.028  -0.082   5.108
    8    HG3  MET   1           HG3      MET   1  -2.629   0.445   4.186
    9    HE1  MET   1           HE1      MET   1  -4.736   3.700   4.774
   10    HE2  MET   1           HE2      MET   1  -4.575   2.301   5.857
   11    HE3  MET   1           HE3      MET   1  -3.157   2.912   4.970
   12    H    VAL   2           H        VAL   2  -2.747   1.518   1.050
   13    HA   VAL   2           HA       VAL   2   0.004   0.995   0.349
   14    HB   VAL   2           HB       VAL   2   0.078   3.449  -0.005
   15   HG11  VAL   2          HG11      VAL   2  -2.392   2.159  -1.247
   16   HG12  VAL   2          HG12      VAL   2  -1.471   3.541  -1.875
   17   HG13  VAL   2          HG13      VAL   2  -0.716   1.941  -1.789
   18   HG21  VAL   2          HG21      VAL   2  -2.840   3.498   0.889
   19   HG22  VAL   2          HG22      VAL   2  -1.482   4.194   1.791
   20   HG23  VAL   2          HG23      VAL   2  -1.918   4.842   0.202
   21    H    ASP   3           H        ASP   3   1.740   2.493   1.263
   22    HA   ASP   3           HA       ASP   3   1.530   3.097   4.142
   23    HB2  ASP   3           HB2      ASP   3   2.538   0.870   4.132
   24    HB3  ASP   3           HB3      ASP   3   3.679   1.357   2.872
   25    H    LEU   4           H        LEU   4   3.028   4.746   4.693
   26    HA   LEU   4           HA       LEU   4   3.933   6.741   4.522
   27    HB2  LEU   4           HB2      LEU   4   5.819   5.570   3.412
   28    HB3  LEU   4           HB3      LEU   4   5.072   5.881   1.848
   29    HG   LEU   4           HG       LEU   4   5.276   8.335   2.225
   30   HD11  LEU   4          HD11      LEU   4   6.788   9.142   4.029
   31   HD12  LEU   4          HD12      LEU   4   5.307   8.454   4.675
   32   HD13  LEU   4          HD13      LEU   4   6.810   7.505   4.733
   33   HD21  LEU   4          HD21      LEU   4   6.986   7.083   0.969
   34   HD22  LEU   4          HD22      LEU   4   7.700   8.436   1.864
   35   HD23  LEU   4          HD23      LEU   4   7.880   6.778   2.478
   36    H    GLU   5           H        GLU   5   2.373   5.852   1.423
   37    HA   GLU   5           HA       GLU   5   1.608   8.500   0.674
   38    HB2  GLU   5           HB2      GLU   5   0.391   5.781   0.015
   39    HB3  GLU   5           HB3      GLU   5  -0.055   7.297  -0.780
   40    HG2  GLU   5           HG2      GLU   5   2.288   7.596  -1.548
   41    HG3  GLU   5           HG3      GLU   5   2.735   6.069  -0.792
   42    H    GLN   6           H        GLN   6   0.426   6.549   3.260
   43    HA   GLN   6           HA       GLN   6  -2.187   7.539   3.561
   44    HB2  GLN   6           HB2      GLN   6  -0.719   5.618   4.743
   45    HB3  GLN   6           HB3      GLN   6  -0.347   6.929   5.887
   46    HG2  GLN   6           HG2      GLN   6  -2.860   7.248   6.121
   47    HG3  GLN   6           HG3      GLN   6  -3.049   5.821   5.080
   48   HE21  GLN   6          HE21      GLN   6  -4.350   5.362   7.324
   49   HE22  GLN   6          HE22      GLN   6  -3.430   4.435   8.474
   50    H    GLU   7           H        GLU   7   0.963   9.088   4.108
   51    HA   GLU   7           HA       GLU   7   0.048  11.145   5.950
   52    HB2  GLU   7           HB2      GLU   7   2.390  11.070   3.960
   53    HB3  GLU   7           HB3      GLU   7   2.115  12.315   5.169
   54    HG2  GLU   7           HG2      GLU   7   2.187  10.521   6.968
   55    HG3  GLU   7           HG3      GLU   7   2.820   9.409   5.746
   56    H    PHE   8           H        PHE   8  -0.497  13.300   5.340
   57    HA   PHE   8           HA       PHE   8  -1.772  13.815   2.838
   58    HB2  PHE   8           HB2      PHE   8  -1.415  16.143   3.269
   59    HB3  PHE   8           HB3      PHE   8  -2.062  15.399   4.731
   60    HD1  PHE   8           HD1      PHE   8  -0.314  14.853   6.651
   61    HD2  PHE   8           HD2      PHE   8   0.653  17.310   3.235
   62    HE1  PHE   8           HE1      PHE   8   1.659  15.760   7.845
   63    HE2  PHE   8           HE2      PHE   8   2.613  18.219   4.442
   64    HZ   PHE   8           HZ       PHE   8   3.123  17.437   6.751
   65    H    ALA   9           H        ALA   9  -0.941  14.604   0.938
   66    HA   ALA   9           HA       ALA   9   1.969  15.344   0.922
   67    HB1  ALA   9           HB1      ALA   9   0.298  13.469  -0.758
   68    HB2  ALA   9           HB2      ALA   9   1.935  14.026  -1.261
   69    HB3  ALA   9           HB3      ALA   9   1.702  13.054   0.236
   70    H    LEU  10           H        LEU  10   2.265  17.300  -0.050
   71    HA   LEU  10           HA       LEU  10   0.087  18.891  -0.897
   72    HB2  LEU  10           HB2      LEU  10   1.564  20.541  -1.447
   73    HB3  LEU  10           HB3      LEU  10   2.302  19.712  -0.061
   74    HG   LEU  10           HG       LEU  10   3.126  19.435  -2.989
   75   HD11  LEU  10          HD11      LEU  10   4.474  20.929  -0.691
   76   HD12  LEU  10          HD12      LEU  10   5.094  20.779  -2.350
   77   HD13  LEU  10          HD13      LEU  10   3.607  21.674  -2.049
   78   HD21  LEU  10          HD21      LEU  10   5.169  18.354  -2.101
   79   HD22  LEU  10          HD22      LEU  10   4.448  18.331  -0.482
   80   HD23  LEU  10          HD23      LEU  10   3.718  17.392  -1.813
   81    H    GLY  11           H        GLY  11   1.489  16.386  -2.464
   82    HA2  GLY  11           HA2      GLY  11  -0.041  17.011  -4.868
   83    HA3  GLY  11           HA3      GLY  11   1.636  16.436  -5.105
   84    H    GLY  12           H        GLY  12  -0.546  15.277  -2.417
   85    HA2  GLY  12           HA2      GLY  12  -0.740  12.619  -3.705
   86    HA3  GLY  12           HA3      GLY  12  -1.287  13.127  -2.100
   87    H    ARG  13           H        ARG  13  -3.239  12.420  -2.332
   88    HA   ARG  13           HA       ARG  13  -5.166  14.300  -3.470
   89    HB2  ARG  13           HB2      ARG  13  -5.093  11.302  -3.975
   90    HB3  ARG  13           HB3      ARG  13  -6.629  12.183  -3.840
   91    HG2  ARG  13           HG2      ARG  13  -6.187  13.460  -5.775
   92    HG3  ARG  13           HG3      ARG  13  -4.489  12.923  -5.870
   93    HD2  ARG  13           HD2      ARG  13  -5.026  10.776  -6.544
   94    HD3  ARG  13           HD3      ARG  13  -6.569  10.774  -5.710
   95    HE   ARG  13           HE       ARG  13  -5.994  11.791  -8.425
   96   HH11  ARG  13          HH11      ARG  13  -8.362  11.441  -5.810
   97   HH12  ARG  13          HH12      ARG  13  -9.737  11.848  -6.786
   98   HH21  ARG  13          HH21      ARG  13  -7.858  12.388  -9.740
   99   HH22  ARG  13          HH22      ARG  13  -9.384  12.646  -8.941
  100    H    CYS  14           H        CYS  14  -7.059  13.924  -2.183
  101    HA   CYS  14           HA       CYS  14  -6.613  12.700   0.473
  102    HB2  CYS  14           HB2      CYS  14  -6.742  15.622  -0.170
  103    HB3  CYS  14           HB3      CYS  14  -7.729  15.053   1.182
  104    HG   CYS  14           HG       CYS  14  -4.580  14.322   0.688
  105    H    LEU  15           H        LEU  15  -8.611  13.149   1.774
  106    HA   LEU  15           HA       LEU  15 -11.180  13.273   0.293
  107    HB2  LEU  15           HB2      LEU  15 -10.456  11.271   2.504
  108    HB3  LEU  15           HB3      LEU  15 -12.039  11.577   1.873
  109    HG   LEU  15           HG       LEU  15 -11.451   9.588   1.008
  110   HD11  LEU  15          HD11      LEU  15 -12.299  11.227  -0.744
  111   HD12  LEU  15          HD12      LEU  15 -10.673  11.311  -1.365
  112   HD13  LEU  15          HD13      LEU  15 -11.514   9.754  -1.362
  113   HD21  LEU  15          HD21      LEU  15  -8.790  10.454  -0.110
  114   HD22  LEU  15          HD22      LEU  15  -8.978   9.863   1.556
  115   HD23  LEU  15          HD23      LEU  15  -9.421   8.828   0.206
  116    H    ALA  16           H        ALA  16 -12.529  14.615   1.514
  117    HA   ALA  16           HA       ALA  16 -11.686  15.247   4.280
  118    HB1  ALA  16           HB1      ALA  16 -12.166  17.685   3.839
  119    HB2  ALA  16           HB2      ALA  16 -10.708  17.078   3.069
  120    HB3  ALA  16           HB3      ALA  16 -12.184  17.304   2.096
  121    H    PHE  17           H        PHE  17 -13.179  15.021   5.627
  122    HA   PHE  17           HA       PHE  17 -15.789  14.141   4.744
  123    HB2  PHE  17           HB2      PHE  17 -14.078  13.779   7.045
  124    HB3  PHE  17           HB3      PHE  17 -15.635  14.359   7.597
  125    HD1  PHE  17           HD1      PHE  17 -17.749  13.046   6.410
  126    HD2  PHE  17           HD2      PHE  17 -13.733  11.507   6.872
  127    HE1  PHE  17           HE1      PHE  17 -18.606  10.762   6.406
  128    HE2  PHE  17           HE2      PHE  17 -14.660   9.197   6.871
  129    HZ   PHE  17           HZ       PHE  17 -17.076   8.831   6.698
  130    H    HIS  18           H        HIS  18 -17.779  14.991   5.464
  131    HA   HIS  18           HA       HIS  18 -17.814  17.796   6.492
  132    HB2  HIS  18           HB2      HIS  18 -19.441  16.634   4.191
  133    HB3  HIS  18           HB3      HIS  18 -19.922  18.064   5.084
  134    HD2  HIS  18           HD2      HIS  18 -17.147  16.872   2.664
  135    HE1  HIS  18           HE1      HIS  18 -17.057  21.131   2.707
  136    HE2  HIS  18           HE2      HIS  18 -16.142  19.049   1.579
  137    H    GLY  19           H        GLY  19 -19.778  14.802   5.932
  138    HA2  GLY  19           HA2      GLY  19 -20.356  14.044   8.431
  139    HA3  GLY  19           HA3      GLY  19 -21.448  15.424   8.292
  140    HA   PRO  20           HA       PRO  20 -24.411  13.085   5.856
  141    HB2  PRO  20           HB2      PRO  20 -23.915  14.932   3.527
  142    HB3  PRO  20           HB3      PRO  20 -25.473  14.414   4.239
  143    HG2  PRO  20           HG2      PRO  20 -24.468  16.890   4.772
  144    HG3  PRO  20           HG3      PRO  20 -25.220  15.912   6.083
  145    HD2  PRO  20           HD2      PRO  20 -22.283  16.288   5.467
  146    HD3  PRO  20           HD3      PRO  20 -23.114  16.306   7.048
  147    H    LEU  21           H        LEU  21 -21.552  14.212   4.015
  148    HA   LEU  21           HA       LEU  21 -20.789  11.496   3.477
  149    HB2  LEU  21           HB2      LEU  21 -22.159  12.926   1.422
  150    HB3  LEU  21           HB3      LEU  21 -20.480  13.129   1.002
  151    HG   LEU  21           HG       LEU  21 -20.789  10.421   1.787
  152   HD11  LEU  21          HD11      LEU  21 -23.162  10.683   1.592
  153   HD12  LEU  21          HD12      LEU  21 -22.979  11.185  -0.119
  154   HD13  LEU  21          HD13      LEU  21 -22.543   9.527   0.412
  155   HD21  LEU  21          HD21      LEU  21 -20.360   9.867  -0.639
  156   HD22  LEU  21          HD22      LEU  21 -20.404  11.620  -0.957
  157   HD23  LEU  21          HD23      LEU  21 -19.157  10.906   0.098
  158    H    MET  22           H        MET  22 -18.669  11.877   1.858
  159    HA   MET  22           HA       MET  22 -16.979  14.006   3.033
  160    HB2  MET  22           HB2      MET  22 -16.090  11.933   3.915
  161    HB3  MET  22           HB3      MET  22 -16.434  11.073   2.424
  162    HG2  MET  22           HG2      MET  22 -14.393  13.273   2.499
  163    HG3  MET  22           HG3      MET  22 -14.035  11.612   2.901
  164    HE1  MET  22           HE1      MET  22 -15.564   9.796   0.643
  165    HE2  MET  22           HE2      MET  22 -13.893   9.596   0.007
  166    HE3  MET  22           HE3      MET  22 -14.167   9.744   1.741
  167    H    TYR  23           H        TYR  23 -15.430  14.701   1.329
  168    HA   TYR  23           HA       TYR  23 -16.231  13.980  -1.378
  169    HB2  TYR  23           HB2      TYR  23 -16.194  16.887  -0.487
  170    HB3  TYR  23           HB3      TYR  23 -16.298  16.333  -2.158
  171    HD1  TYR  23           HD1      TYR  23 -18.228  14.281  -2.372
  172    HD2  TYR  23           HD2      TYR  23 -18.307  17.619   0.374
  173    HE1  TYR  23           HE1      TYR  23 -20.618  13.865  -1.936
  174    HE2  TYR  23           HE2      TYR  23 -20.714  17.249   0.750
  175    HH   TYR  23           HH       TYR  23 -22.466  14.466  -0.753
  176    H    GLU  24           H        GLU  24 -14.664  14.184  -2.828
  177    HA   GLU  24           HA       GLU  24 -12.126  13.451  -1.723
  178    HB2  GLU  24           HB2      GLU  24 -13.373  12.462  -3.637
  179    HB3  GLU  24           HB3      GLU  24 -13.101  13.906  -4.582
  180    HG2  GLU  24           HG2      GLU  24 -10.812  13.433  -4.894
  181    HG3  GLU  24           HG3      GLU  24 -10.721  12.410  -3.472
  182    H    ALA  25           H        ALA  25 -10.090  14.451  -2.081
  183    HA   ALA  25           HA       ALA  25 -10.255  17.371  -2.405
  184    HB1  ALA  25           HB1      ALA  25  -8.773  17.448  -0.260
  185    HB2  ALA  25           HB2      ALA  25 -10.491  17.108  -0.042
  186    HB3  ALA  25           HB3      ALA  25  -9.333  15.806   0.034
  187    H    LYS  26           H        LYS  26  -8.136  18.297  -2.880
  188    HA   LYS  26           HA       LYS  26  -5.976  16.422  -3.689
  189    HB2  LYS  26           HB2      LYS  26  -7.657  16.742  -5.561
  190    HB3  LYS  26           HB3      LYS  26  -7.206  18.449  -5.570
  191    HG2  LYS  26           HG2      LYS  26  -5.140  16.293  -6.016
  192    HG3  LYS  26           HG3      LYS  26  -6.173  16.923  -7.328
  193    HD2  LYS  26           HD2      LYS  26  -4.499  18.681  -5.610
  194    HD3  LYS  26           HD3      LYS  26  -3.931  18.005  -7.151
  195    HE2  LYS  26           HE2      LYS  26  -6.555  19.416  -7.123
  196    HE3  LYS  26           HE3      LYS  26  -5.125  20.429  -6.845
  197    HZ1  LYS  26           HZ1      LYS  26  -5.785  20.292  -9.174
  198    HZ2  LYS  26           HZ2      LYS  26  -4.267  19.746  -8.959
  199    HZ3  LYS  26           HZ3      LYS  26  -5.503  18.675  -9.215
  200    H    ILE  27           H        ILE  27  -4.493  17.286  -2.333
  201    HA   ILE  27           HA       ILE  27  -4.697  19.916  -1.241
  202    HB   ILE  27           HB       ILE  27  -2.455  17.872  -1.226
  203   HG12  ILE  27          HG12      ILE  27  -4.450  18.390   0.998
  204   HG13  ILE  27          HG13      ILE  27  -4.748  17.151  -0.197
  205   HG21  ILE  27          HG21      ILE  27  -1.735  19.029   0.878
  206   HG22  ILE  27          HG22      ILE  27  -1.623  20.096  -0.508
  207   HG23  ILE  27          HG23      ILE  27  -2.986  20.274   0.597
  208   HD11  ILE  27          HD11      ILE  27  -3.062  15.741   0.596
  209   HD12  ILE  27          HD12      ILE  27  -2.135  17.028   1.334
  210   HD13  ILE  27          HD13      ILE  27  -3.667  16.568   2.106
  211    H    LEU  28           H        LEU  28  -3.478  21.768  -1.666
  212    HA   LEU  28           HA       LEU  28  -1.170  21.619  -3.536
  213    HB2  LEU  28           HB2      LEU  28  -3.143  22.330  -4.727
  214    HB3  LEU  28           HB3      LEU  28  -3.637  23.434  -3.458
  215    HG   LEU  28           HG       LEU  28  -1.128  23.917  -5.113
  216   HD11  LEU  28          HD11      LEU  28  -4.046  24.715  -5.464
  217   HD12  LEU  28          HD12      LEU  28  -2.709  25.340  -6.471
  218   HD13  LEU  28          HD13      LEU  28  -3.118  23.619  -6.501
  219   HD21  LEU  28          HD21      LEU  28  -2.927  25.772  -3.442
  220   HD22  LEU  28          HD22      LEU  28  -1.232  25.379  -3.106
  221   HD23  LEU  28          HD23      LEU  28  -1.641  26.325  -4.523
  222    H    LYS  29           H        LYS  29  -2.884  23.697  -1.107
  223    HA   LYS  29           HA       LYS  29  -0.224  24.841  -0.428
  224    HB2  LYS  29           HB2      LYS  29  -2.660  26.036  -0.860
  225    HB3  LYS  29           HB3      LYS  29  -2.702  25.827   0.891
  226    HG2  LYS  29           HG2      LYS  29  -1.490  27.676   1.129
  227    HG3  LYS  29           HG3      LYS  29  -0.169  26.896   0.297
  228    HD2  LYS  29           HD2      LYS  29  -0.578  28.849  -1.009
  229    HD3  LYS  29           HD3      LYS  29  -1.439  27.612  -1.923
  230    HE2  LYS  29           HE2      LYS  29  -3.552  28.268  -0.681
  231    HE3  LYS  29           HE3      LYS  29  -2.564  29.471   0.191
  232    HZ1  LYS  29           HZ1      LYS  29  -3.292  29.555  -2.661
  233    HZ2  LYS  29           HZ2      LYS  29  -3.581  30.676  -1.480
  234    HZ3  LYS  29           HZ3      LYS  29  -2.076  30.466  -2.031
  235    H    ILE  30           H        ILE  30   0.802  24.131   1.469
  236    HA   ILE  30           HA       ILE  30  -0.920  22.761   3.445
  237    HB   ILE  30           HB       ILE  30   0.551  21.121   3.994
  238   HG12  ILE  30          HG12      ILE  30   2.790  21.857   3.775
  239   HG13  ILE  30          HG13      ILE  30   2.581  20.477   2.692
  240   HG21  ILE  30          HG21      ILE  30  -0.971  20.931   2.010
  241   HG22  ILE  30          HG22      ILE  30   0.379  21.111   0.937
  242   HG23  ILE  30          HG23      ILE  30   0.342  19.725   2.040
  243   HD11  ILE  30          HD11      ILE  30   2.564  23.389   1.988
  244   HD12  ILE  30          HD12      ILE  30   3.808  22.206   1.525
  245   HD13  ILE  30          HD13      ILE  30   2.181  22.129   0.793
  246    H    TRP  31           H        TRP  31  -1.285  24.184   4.611
  247    HA   TRP  31           HA       TRP  31   0.610  26.172   5.727
  248    HB2  TRP  31           HB2      TRP  31  -1.435  27.160   5.510
  249    HB3  TRP  31           HB3      TRP  31  -2.319  25.720   5.925
  250    HD1  TRP  31           HD1      TRP  31  -2.222  25.110   8.720
  251    HE1  TRP  31           HE1      TRP  31  -2.646  26.741  10.655
  252    HE3  TRP  31           HE3      TRP  31  -1.071  29.522   6.365
  253    HZ2  TRP  31           HZ2      TRP  31  -2.472  29.522  11.137
  254    HZ3  TRP  31           HZ3      TRP  31  -1.321  31.661   7.590
  255    HH2  TRP  31           HH2      TRP  31  -2.080  31.672   9.969
  256    H    ASP  32           H        ASP  32   1.116  26.422   7.937
  257    HA   ASP  32           HA       ASP  32   1.183  24.064   9.608
  258    HB2  ASP  32           HB2      ASP  32   3.094  23.837   7.978
  259    HB3  ASP  32           HB3      ASP  32   3.722  25.378   8.536
  260    HA   PRO  33           HA       PRO  33   0.686  27.873  11.979
  261    HB2  PRO  33           HB2      PRO  33   0.489  26.745  14.540
  262    HB3  PRO  33           HB3      PRO  33  -0.826  26.919  13.357
  263    HG2  PRO  33           HG2      PRO  33   0.983  24.532  13.842
  264    HG3  PRO  33           HG3      PRO  33  -0.807  24.538  13.619
  265    HD2  PRO  33           HD2      PRO  33   0.870  23.853  11.659
  266    HD3  PRO  33           HD3      PRO  33  -0.595  24.841  11.312
  267    H    SER  34           H        SER  34   3.484  25.910  12.104
  268    HA   SER  34           HA       SER  34   4.842  26.947  14.377
  269    HB2  SER  34           HB2      SER  34   6.075  26.068  11.734
  270    HB3  SER  34           HB3      SER  34   6.877  26.172  13.313
  271    HG   SER  34           HG       SER  34   4.856  24.407  12.413
  272    H    SER  35           H        SER  35   4.306  28.328  11.175
  273    HA   SER  35           HA       SER  35   5.494  30.893  12.162
  274    HB2  SER  35           HB2      SER  35   5.406  29.943   9.271
  275    HB3  SER  35           HB3      SER  35   6.191  31.400   9.910
  276    HG   SER  35           HG       SER  35   7.695  29.696   9.559
  277    H    LYS  36           H        LYS  36   2.644  29.284  11.310
  278    HA   LYS  36           HA       LYS  36   0.630  29.809  10.501
  279    HB2  LYS  36           HB2      LYS  36   1.272  32.316  12.080
  280    HB3  LYS  36           HB3      LYS  36  -0.226  32.218  11.188
  281    HG2  LYS  36           HG2      LYS  36  -1.191  30.669  12.529
  282    HG3  LYS  36           HG3      LYS  36   0.301  29.814  12.861
  283    HD2  LYS  36           HD2      LYS  36  -0.382  32.508  14.101
  284    HD3  LYS  36           HD3      LYS  36  -0.696  30.934  14.857
  285    HE2  LYS  36           HE2      LYS  36   1.719  30.372  14.732
  286    HE3  LYS  36           HE3      LYS  36   2.060  31.932  13.990
  287    HZ1  LYS  36           HZ1      LYS  36   2.493  31.959  16.360
  288    HZ2  LYS  36           HZ2      LYS  36   1.272  32.992  16.033
  289    HZ3  LYS  36           HZ3      LYS  36   0.956  31.536  16.714
  290    H    MET  37           H        MET  37   2.244  29.644   8.574
  291    HA   MET  37           HA       MET  37   1.294  31.488   6.564
  292    HB2  MET  37           HB2      MET  37   4.250  30.843   6.973
  293    HB3  MET  37           HB3      MET  37   3.570  31.687   5.582
  294    HG2  MET  37           HG2      MET  37   2.619  33.385   7.258
  295    HG3  MET  37           HG3      MET  37   3.645  32.626   8.462
  296    HE1  MET  37           HE1      MET  37   7.154  33.260   6.580
  297    HE2  MET  37           HE2      MET  37   6.167  31.998   7.426
  298    HE3  MET  37           HE3      MET  37   5.920  32.352   5.701
  299    H    TYR  38           H        TYR  38   2.208  30.339   4.389
  300    HA   TYR  38           HA       TYR  38   1.613  27.448   4.705
  301    HB2  TYR  38           HB2      TYR  38   0.269  27.600   2.746
  302    HB3  TYR  38           HB3      TYR  38  -0.241  28.805   3.915
  303    HD1  TYR  38           HD1      TYR  38   1.455  28.321   0.648
  304    HD2  TYR  38           HD2      TYR  38   0.180  31.139   3.610
  305    HE1  TYR  38           HE1      TYR  38   1.709  30.090  -1.016
  306    HE2  TYR  38           HE2      TYR  38   0.517  32.997   1.958
  307    HH   TYR  38           HH       TYR  38   1.018  33.558  -0.270
  308    H    THR  39           H        THR  39   1.904  26.718   2.003
  309    HA   THR  39           HA       THR  39   4.409  27.273   0.940
  310    HB   THR  39           HB       THR  39   4.821  24.509   1.557
  311    HG1  THR  39           HG1      THR  39   3.569  24.843   3.511
  312   HG21  THR  39          HG21      THR  39   6.540  26.076   1.034
  313   HG22  THR  39          HG22      THR  39   6.166  27.068   2.458
  314   HG23  THR  39          HG23      THR  39   6.875  25.441   2.661
  315    H    SER  40           H        SER  40   4.383  26.211  -1.184
  316    HA   SER  40           HA       SER  40   2.286  24.220  -1.692
  317    HB2  SER  40           HB2      SER  40   1.994  26.559  -3.465
  318    HB3  SER  40           HB3      SER  40   0.791  25.488  -2.783
  319    HG   SER  40           HG       SER  40   2.087  27.653  -1.504
  320    H    ILE  41           H        ILE  41   2.290  23.706  -4.084
  321    HA   ILE  41           HA       ILE  41   4.597  24.592  -5.609
  322    HB   ILE  41           HB       ILE  41   5.132  22.276  -6.384
  323   HG12  ILE  41          HG12      ILE  41   4.527  20.427  -4.628
  324   HG13  ILE  41          HG13      ILE  41   3.086  21.416  -4.364
  325   HG21  ILE  41          HG21      ILE  41   5.675  22.764  -3.458
  326   HG22  ILE  41          HG22      ILE  41   6.530  21.638  -4.528
  327   HG23  ILE  41          HG23      ILE  41   6.601  23.360  -4.856
  328   HD11  ILE  41          HD11      ILE  41   4.057  20.206  -6.990
  329   HD12  ILE  41          HD12      ILE  41   2.654  19.693  -6.033
  330   HD13  ILE  41          HD13      ILE  41   2.650  21.267  -6.857
  331    HA   PRO  42           HA       PRO  42   1.467  24.933  -8.601
  332    HB2  PRO  42           HB2      PRO  42   2.658  24.257 -11.015
  333    HB3  PRO  42           HB3      PRO  42   3.001  25.758 -10.093
  334    HG2  PRO  42           HG2      PRO  42   4.572  23.185  -9.971
  335    HG3  PRO  42           HG3      PRO  42   5.169  24.858 -10.259
  336    HD2  PRO  42           HD2      PRO  42   5.267  23.920  -7.768
  337    HD3  PRO  42           HD3      PRO  42   4.504  25.522  -8.009
  338    H    ASN  43           H        ASN  43  -0.073  23.498  -7.914
  339    HA   ASN  43           HA       ASN  43  -0.168  20.852  -9.281
  340    HB2  ASN  43           HB2      ASN  43   0.430  20.869  -6.725
  341    HB3  ASN  43           HB3      ASN  43  -1.238  21.340  -6.481
  342   HD21  ASN  43          HD21      ASN  43  -1.677  19.275  -5.346
  343   HD22  ASN  43          HD22      ASN  43  -1.761  17.791  -6.257
  344    H    ASP  44           H        ASP  44  -1.735  23.821  -9.007
  345    HA   ASP  44           HA       ASP  44  -3.927  23.000 -10.549
  346    HB2  ASP  44           HB2      ASP  44  -4.653  22.410  -8.027
  347    HB3  ASP  44           HB3      ASP  44  -4.982  24.133  -7.958
  348    H    LYS  45           H        LYS  45  -5.574  25.328 -10.021
  349    HA   LYS  45           HA       LYS  45  -3.702  27.627 -10.365
  350    HB2  LYS  45           HB2      LYS  45  -6.111  27.032 -12.116
  351    HB3  LYS  45           HB3      LYS  45  -5.118  28.491 -12.155
  352    HG2  LYS  45           HG2      LYS  45  -3.120  26.977 -12.706
  353    HG3  LYS  45           HG3      LYS  45  -4.271  25.660 -12.912
  354    HD2  LYS  45           HD2      LYS  45  -4.238  28.281 -14.475
  355    HD3  LYS  45           HD3      LYS  45  -3.620  26.719 -15.043
  356    HE2  LYS  45           HE2      LYS  45  -5.905  25.742 -14.834
  357    HE3  LYS  45           HE3      LYS  45  -6.526  27.321 -14.328
  358    HZ1  LYS  45           HZ1      LYS  45  -5.850  28.204 -16.486
  359    HZ2  LYS  45           HZ2      LYS  45  -5.293  26.738 -16.955
  360    HZ3  LYS  45           HZ3      LYS  45  -6.886  26.955 -16.676
  361    HA   PRO  46           HA       PRO  46  -6.652  28.036  -6.851
  362    HB2  PRO  46           HB2      PRO  46  -4.743  30.293  -6.266
  363    HB3  PRO  46           HB3      PRO  46  -5.483  29.127  -5.130
  364    HG2  PRO  46           HG2      PRO  46  -2.906  28.841  -5.977
  365    HG3  PRO  46           HG3      PRO  46  -3.969  27.409  -5.775
  366    HD2  PRO  46           HD2      PRO  46  -3.145  28.815  -8.301
  367    HD3  PRO  46           HD3      PRO  46  -3.435  27.077  -8.003
  368    H    GLY  47           H        GLY  47  -5.203  30.875  -8.538
  369    HA2  GLY  47           HA2      GLY  47  -6.667  32.509  -9.653
  370    HA3  GLY  47           HA3      GLY  47  -7.795  32.333  -8.286
  371    H    GLY  48           H        GLY  48  -6.128  32.320  -6.083
  372    HA2  GLY  48           HA2      GLY  48  -5.228  34.983  -5.650
  373    HA3  GLY  48           HA3      GLY  48  -4.792  33.550  -4.693
  374    H    SER  49           H        SER  49  -3.650  32.145  -7.035
  375    HA   SER  49           HA       SER  49  -1.450  33.817  -8.001
  376    HB2  SER  49           HB2      SER  49   0.080  31.804  -7.631
  377    HB3  SER  49           HB3      SER  49  -0.359  32.745  -6.200
  378    HG   SER  49           HG       SER  49  -0.742  30.743  -5.541
  379    H    SER  50           H        SER  50  -0.827  33.172 -10.109
  380    HA   SER  50           HA       SER  50  -2.954  32.443 -11.706
  381    HB2  SER  50           HB2      SER  50  -0.009  32.265 -12.470
  382    HB3  SER  50           HB3      SER  50  -1.387  32.624 -13.526
  383    HG   SER  50           HG       SER  50  -0.253  34.523 -12.902
  384    H    GLN  51           H        GLN  51  -0.291  30.376 -10.539
  385    HA   GLN  51           HA       GLN  51  -1.824  27.966 -11.313
  386    HB2  GLN  51           HB2      GLN  51  -0.039  27.022 -12.590
  387    HB3  GLN  51           HB3      GLN  51  -0.299  28.638 -13.238
  388    HG2  GLN  51           HG2      GLN  51   1.620  29.462 -11.821
  389    HG3  GLN  51           HG3      GLN  51   1.911  27.814 -11.276
  390   HE21  GLN  51          HE21      GLN  51   2.431  26.145 -13.017
  391   HE22  GLN  51          HE22      GLN  51   3.320  26.698 -14.418
  392    H    ALA  52           H        ALA  52  -0.908  29.374  -8.709
  393    HA   ALA  52           HA       ALA  52   0.187  28.930  -6.754
  394    HB1  ALA  52           HB1      ALA  52   0.300  26.619  -6.025
  395    HB2  ALA  52           HB2      ALA  52  -1.270  26.972  -6.837
  396    HB3  ALA  52           HB3      ALA  52   0.001  26.084  -7.695
  397    H    THR  53           H        THR  53   1.549  29.808  -8.689
  398    HA   THR  53           HA       THR  53   3.509  28.806 -10.075
  399    HB   THR  53           HB       THR  53   3.876  31.492  -8.740
  400    HG1  THR  53           HG1      THR  53   2.261  32.262 -10.097
  401   HG21  THR  53          HG21      THR  53   4.174  30.480 -11.616
  402   HG22  THR  53          HG22      THR  53   4.493  32.140 -11.054
  403   HG23  THR  53          HG23      THR  53   5.511  30.807 -10.487
  404    H    LYS  54           H        LYS  54   4.916  27.384  -9.647
  405    HA   LYS  54           HA       LYS  54   6.592  26.184  -8.882
  406    HB2  LYS  54           HB2      LYS  54   7.851  28.884  -8.239
  407    HB3  LYS  54           HB3      LYS  54   8.722  27.354  -8.393
  408    HG2  LYS  54           HG2      LYS  54   7.901  27.155 -10.757
  409    HG3  LYS  54           HG3      LYS  54   7.181  28.771 -10.605
  410    HD2  LYS  54           HD2      LYS  54   9.230  29.293 -11.578
  411    HD3  LYS  54           HD3      LYS  54   9.594  29.499  -9.861
  412    HE2  LYS  54           HE2      LYS  54  11.412  28.215 -10.569
  413    HE3  LYS  54           HE3      LYS  54  10.303  26.996  -9.919
  414    HZ1  LYS  54           HZ1      LYS  54  11.208  26.323 -12.041
  415    HZ2  LYS  54           HZ2      LYS  54   9.599  26.531 -12.204
  416    HZ3  LYS  54           HZ3      LYS  54  10.639  27.658 -12.783
  417    H    GLU  55           H        GLU  55   8.402  26.176  -6.792
  418    HA   GLU  55           HA       GLU  55   6.781  25.511  -4.527
  419    HB2  GLU  55           HB2      GLU  55   9.005  25.431  -3.334
  420    HB3  GLU  55           HB3      GLU  55   8.722  24.294  -4.660
  421    HG2  GLU  55           HG2      GLU  55  10.170  25.292  -6.101
  422    HG3  GLU  55           HG3      GLU  55  10.150  26.856  -5.281
  423    H    ILE  56           H        ILE  56   5.573  27.031  -3.717
  424    HA   ILE  56           HA       ILE  56   6.336  29.807  -3.671
  425    HB   ILE  56           HB       ILE  56   4.044  28.632  -2.052
  426   HG12  ILE  56          HG12      ILE  56   4.077  29.197  -5.047
  427   HG13  ILE  56          HG13      ILE  56   3.756  27.656  -4.256
  428   HG21  ILE  56          HG21      ILE  56   4.621  30.993  -1.695
  429   HG22  ILE  56          HG22      ILE  56   4.533  31.316  -3.437
  430   HG23  ILE  56          HG23      ILE  56   3.079  30.907  -2.520
  431   HD11  ILE  56          HD11      ILE  56   1.652  28.370  -4.827
  432   HD12  ILE  56          HD12      ILE  56   1.746  28.919  -3.122
  433   HD13  ILE  56          HD13      ILE  56   1.983  30.076  -4.444
  434    H    LYS  57           H        LYS  57   7.220  30.941  -2.014
  435    HA   LYS  57           HA       LYS  57   8.496  29.412   0.152
  436    HB2  LYS  57           HB2      LYS  57   8.546  32.394  -0.489
  437    HB3  LYS  57           HB3      LYS  57   9.566  31.572   0.689
  438    HG2  LYS  57           HG2      LYS  57   9.661  31.294  -2.349
  439    HG3  LYS  57           HG3      LYS  57  10.863  32.028  -1.286
  440    HD2  LYS  57           HD2      LYS  57  11.288  29.774  -0.261
  441    HD3  LYS  57           HD3      LYS  57  10.161  29.057  -1.438
  442    HE2  LYS  57           HE2      LYS  57  11.537  29.927  -3.306
  443    HE3  LYS  57           HE3      LYS  57  12.656  30.653  -2.147
  444    HZ1  LYS  57           HZ1      LYS  57  12.204  27.746  -2.577
  445    HZ2  LYS  57           HZ2      LYS  57  13.552  28.599  -2.876
  446    HZ3  LYS  57           HZ3      LYS  57  13.097  28.367  -1.329
  447    HA   PRO  58           HA       PRO  58   5.258  30.276   3.030
  448    HB2  PRO  58           HB2      PRO  58   7.486  31.152   4.868
  449    HB3  PRO  58           HB3      PRO  58   6.089  30.068   5.239
  450    HG2  PRO  58           HG2      PRO  58   8.558  29.063   4.819
  451    HG3  PRO  58           HG3      PRO  58   7.137  28.279   4.050
  452    HD2  PRO  58           HD2      PRO  58   9.072  30.289   2.869
  453    HD3  PRO  58           HD3      PRO  58   8.456  28.756   2.155
  454    H    GLN  59           H        GLN  59   3.918  31.948   3.120
  455    HA   GLN  59           HA       GLN  59   5.019  34.695   3.489
  456    HB2  GLN  59           HB2      GLN  59   4.674  34.175   1.066
  457    HB3  GLN  59           HB3      GLN  59   2.963  33.893   1.387
  458    HG2  GLN  59           HG2      GLN  59   2.690  36.243   2.101
  459    HG3  GLN  59           HG3      GLN  59   4.419  36.533   1.890
  460   HE21  GLN  59          HE21      GLN  59   1.625  37.359   0.457
  461   HE22  GLN  59          HE22      GLN  59   2.104  37.324  -1.222
  462    H    LYS  60           H        LYS  60   3.814  36.001   4.702
  463    HA   LYS  60           HA       LYS  60   2.026  35.213   6.563
  464    HB2  LYS  60           HB2      LYS  60   2.467  37.909   5.261
  465    HB3  LYS  60           HB3      LYS  60   1.343  37.792   6.587
  466    HG2  LYS  60           HG2      LYS  60   4.224  36.867   6.919
  467    HG3  LYS  60           HG3      LYS  60   3.746  38.546   7.117
  468    HD2  LYS  60           HD2      LYS  60   3.875  37.422   9.278
  469    HD3  LYS  60           HD3      LYS  60   2.244  38.016   8.945
  470    HE2  LYS  60           HE2      LYS  60   1.477  35.768   8.383
  471    HE3  LYS  60           HE3      LYS  60   3.122  35.139   8.508
  472    HZ1  LYS  60           HZ1      LYS  60   1.543  36.220  10.761
  473    HZ2  LYS  60           HZ2      LYS  60   1.841  34.641  10.469
  474    HZ3  LYS  60           HZ3      LYS  60   3.074  35.633  10.877
  475    H    LEU  61           H        LEU  61   1.088  35.446   3.531
  476    HA   LEU  61           HA       LEU  61  -0.729  35.320   2.344
  477    HB2  LEU  61           HB2      LEU  61  -1.496  33.322   2.686
  478    HB3  LEU  61           HB3      LEU  61  -0.556  33.290   4.162
  479    HG   LEU  61           HG       LEU  61  -3.574  33.759   3.954
  480   HD11  LEU  61          HD11      LEU  61  -3.708  31.655   4.782
  481   HD12  LEU  61          HD12      LEU  61  -2.607  31.564   3.407
  482   HD13  LEU  61          HD13      LEU  61  -1.948  31.482   5.065
  483   HD21  LEU  61          HD21      LEU  61  -2.807  35.014   5.910
  484   HD22  LEU  61          HD22      LEU  61  -3.563  33.503   6.417
  485   HD23  LEU  61          HD23      LEU  61  -1.788  33.654   6.414
  486    H    GLY  62           H        GLY  62  -3.338  35.074   2.432
  487    HA2  GLY  62           HA2      GLY  62  -5.328  36.161   3.174
  488    HA3  GLY  62           HA3      GLY  62  -4.406  37.617   3.582
  489    H    GLU  63           H        GLU  63  -3.899  35.713   0.600
  490    HA   GLU  63           HA       GLU  63  -4.301  38.180  -0.988
  491    HB2  GLU  63           HB2      GLU  63  -3.317  35.394  -1.781
  492    HB3  GLU  63           HB3      GLU  63  -3.348  36.819  -2.818
  493    HG2  GLU  63           HG2      GLU  63  -1.638  36.399  -0.333
  494    HG3  GLU  63           HG3      GLU  63  -1.088  36.428  -2.002
  495    H    ASP  64           H        ASP  64  -5.592  34.903  -0.496
  496    HA   ASP  64           HA       ASP  64  -8.146  35.592  -1.830
  497    HB2  ASP  64           HB2      ASP  64  -6.549  34.958  -3.643
  498    HB3  ASP  64           HB3      ASP  64  -6.309  33.400  -2.855
  499    H    GLU  65           H        GLU  65  -6.537  34.019   0.695
  500    HA   GLU  65           HA       GLU  65  -8.669  31.986   1.104
  501    HB2  GLU  65           HB2      GLU  65  -6.968  30.384   1.622
  502    HB3  GLU  65           HB3      GLU  65  -6.734  30.952  -0.025
  503    HG2  GLU  65           HG2      GLU  65  -5.141  31.899   2.409
  504    HG3  GLU  65           HG3      GLU  65  -4.645  30.634   1.304
  505    H    SER  66           H        SER  66  -8.800  31.419   3.428
  506    HA   SER  66           HA       SER  66  -7.077  32.785   5.339
  507    HB2  SER  66           HB2      SER  66 -10.100  33.231   5.271
  508    HB3  SER  66           HB3      SER  66  -9.056  33.627   6.642
  509    HG   SER  66           HG       SER  66  -8.210  34.648   4.217
  510    H    ILE  67           H        ILE  67  -6.889  31.509   7.141
  511    HA   ILE  67           HA       ILE  67  -8.387  28.946   7.156
  512    HB   ILE  67           HB       ILE  67  -6.577  28.602   9.036
  513   HG12  ILE  67          HG12      ILE  67  -5.346  30.790   8.557
  514   HG13  ILE  67          HG13      ILE  67  -4.412  29.337   8.611
  515   HG21  ILE  67          HG21      ILE  67  -5.152  27.406   7.678
  516   HG22  ILE  67          HG22      ILE  67  -6.850  26.995   7.422
  517   HG23  ILE  67          HG23      ILE  67  -5.982  28.022   6.204
  518   HD11  ILE  67          HD11      ILE  67  -3.856  30.979   6.827
  519   HD12  ILE  67          HD12      ILE  67  -4.029  29.290   6.316
  520   HD13  ILE  67          HD13      ILE  67  -5.326  30.459   5.975
  521    HA   PRO  68           HA       PRO  68 -10.490  30.807  10.800
  522    HB2  PRO  68           HB2      PRO  68 -11.526  27.966  10.925
  523    HB3  PRO  68           HB3      PRO  68 -12.415  29.501  11.174
  524    HG2  PRO  68           HG2      PRO  68 -12.642  28.149   8.835
  525    HG3  PRO  68           HG3      PRO  68 -12.454  29.933   8.819
  526    HD2  PRO  68           HD2      PRO  68 -10.343  27.815   8.364
  527    HD3  PRO  68           HD3      PRO  68 -10.637  29.323   7.450
  528    H    GLU  69           H        GLU  69 -10.020  30.614  13.055
  529    HA   GLU  69           HA       GLU  69  -7.654  29.448  13.889
  530    HB2  GLU  69           HB2      GLU  69 -10.033  30.140  15.619
  531    HB3  GLU  69           HB3      GLU  69  -8.354  29.874  16.158
  532    HG2  GLU  69           HG2      GLU  69  -7.595  31.772  14.755
  533    HG3  GLU  69           HG3      GLU  69  -9.267  32.098  14.287
  534    H    GLU  70           H        GLU  70 -10.809  27.990  13.634
  535    HA   GLU  70           HA       GLU  70 -10.705  25.786  15.344
  536    HB2  GLU  70           HB2      GLU  70 -12.630  26.697  13.911
  537    HB3  GLU  70           HB3      GLU  70 -11.890  25.890  12.535
  538    HG2  GLU  70           HG2      GLU  70 -13.635  24.480  13.327
  539    HG3  GLU  70           HG3      GLU  70 -12.130  23.693  13.782
  540    H    ILE  71           H        ILE  71  -9.237  26.204  12.097
  541    HA   ILE  71           HA       ILE  71  -8.273  23.383  12.179
  542    HB   ILE  71           HB       ILE  71  -7.871  23.636   9.780
  543   HG12  ILE  71          HG12      ILE  71  -9.355  26.297   9.955
  544   HG13  ILE  71          HG13      ILE  71  -7.640  26.121   9.572
  545   HG21  ILE  71          HG21      ILE  71 -10.015  22.743  10.767
  546   HG22  ILE  71          HG22      ILE  71 -10.736  24.347  10.476
  547   HG23  ILE  71          HG23      ILE  71 -10.148  23.375   9.120
  548   HD11  ILE  71          HD11      ILE  71 -10.030  25.174   7.908
  549   HD12  ILE  71          HD12      ILE  71  -8.889  26.434   7.504
  550   HD13  ILE  71          HD13      ILE  71  -8.336  24.744   7.544
  551    H    ILE  72           H        ILE  72  -7.197  26.699  12.279
  552    HA   ILE  72           HA       ILE  72  -4.770  26.698  11.128
  553    HB   ILE  72           HB       ILE  72  -6.284  28.170  13.175
  554   HG12  ILE  72          HG12      ILE  72  -4.700  28.630  10.681
  555   HG13  ILE  72          HG13      ILE  72  -6.452  28.681  11.017
  556   HG21  ILE  72          HG21      ILE  72  -4.356  28.062  14.588
  557   HG22  ILE  72          HG22      ILE  72  -3.347  28.789  13.280
  558   HG23  ILE  72          HG23      ILE  72  -4.718  29.672  14.027
  559   HD11  ILE  72          HD11      ILE  72  -6.107  30.702  12.287
  560   HD12  ILE  72          HD12      ILE  72  -4.357  30.629  11.841
  561   HD13  ILE  72          HD13      ILE  72  -5.593  30.793  10.571
  562    H    ASN  73           H        ASN  73  -5.460  25.521  14.265
  563    HA   ASN  73           HA       ASN  73  -2.857  25.446  15.416
  564    HB2  ASN  73           HB2      ASN  73  -4.071  24.167  17.137
  565    HB3  ASN  73           HB3      ASN  73  -4.915  25.654  16.649
  566   HD21  ASN  73          HD21      ASN  73  -7.058  25.491  15.764
  567   HD22  ASN  73          HD22      ASN  73  -7.807  23.975  15.378
  568    H    GLY  74           H        GLY  74  -3.825  23.756  12.895
  569    HA2  GLY  74           HA2      GLY  74  -1.857  21.618  13.295
  570    HA3  GLY  74           HA3      GLY  74  -3.486  21.085  12.811
  571    H    LYS  75           H        LYS  75  -1.862  20.443  11.170
  572    HA   LYS  75           HA       LYS  75  -1.013  22.129   9.033
  573    HB2  LYS  75           HB2      LYS  75  -1.893  19.231   9.254
  574    HB3  LYS  75           HB3      LYS  75  -1.613  19.984   7.694
  575    HG2  LYS  75           HG2      LYS  75   0.510  20.095   9.820
  576    HG3  LYS  75           HG3      LYS  75   0.314  18.659   8.787
  577    HD2  LYS  75           HD2      LYS  75   1.274  19.597   7.003
  578    HD3  LYS  75           HD3      LYS  75   0.273  21.032   7.114
  579    HE2  LYS  75           HE2      LYS  75   2.534  21.749   7.270
  580    HE3  LYS  75           HE3      LYS  75   1.757  21.986   8.836
  581    HZ1  LYS  75           HZ1      LYS  75   3.677  19.838   8.147
  582    HZ2  LYS  75           HZ2      LYS  75   3.901  21.117   9.161
  583    HZ3  LYS  75           HZ3      LYS  75   2.864  19.922   9.577
  584    H    CYS  76           H        CYS  76  -2.141  22.993   7.284
  585    HA   CYS  76           HA       CYS  76  -5.058  22.363   7.157
  586    HB2  CYS  76           HB2      CYS  76  -3.989  25.198   6.930
  587    HB3  CYS  76           HB3      CYS  76  -5.621  24.667   6.555
  588    HG   CYS  76           HG       CYS  76  -4.066  24.185   9.460
  589    H    PHE  77           H        PHE  77  -5.727  21.878   5.258
  590    HA   PHE  77           HA       PHE  77  -3.767  21.884   3.026
  591    HB2  PHE  77           HB2      PHE  77  -6.059  20.023   3.798
  592    HB3  PHE  77           HB3      PHE  77  -5.055  19.880   2.357
  593    HD1  PHE  77           HD1      PHE  77  -2.568  19.910   2.712
  594    HD2  PHE  77           HD2      PHE  77  -5.286  19.147   5.884
  595    HE1  PHE  77           HE1      PHE  77  -0.627  19.237   4.185
  596    HE2  PHE  77           HE2      PHE  77  -3.474  18.252   7.248
  597    HZ   PHE  77           HZ       PHE  77  -1.125  18.175   6.376
  598    H    PHE  78           H        PHE  78  -4.253  23.552   1.763
  599    HA   PHE  78           HA       PHE  78  -6.985  24.380   1.049
  600    HB2  PHE  78           HB2      PHE  78  -4.993  25.918   0.990
  601    HB3  PHE  78           HB3      PHE  78  -4.399  24.922  -0.344
  602    HD1  PHE  78           HD1      PHE  78  -7.230  27.099   0.730
  603    HD2  PHE  78           HD2      PHE  78  -5.134  25.275  -2.574
  604    HE1  PHE  78           HE1      PHE  78  -8.491  28.535  -0.873
  605    HE2  PHE  78           HE2      PHE  78  -6.369  26.716  -4.160
  606    HZ   PHE  78           HZ       PHE  78  -8.053  28.357  -3.312
  607    H    ILE  79           H        ILE  79  -8.154  23.037  -0.144
  608    HA   ILE  79           HA       ILE  79  -6.791  21.149  -2.007
  609    HB   ILE  79           HB       ILE  79  -8.709  19.580  -1.281
  610   HG12  ILE  79          HG12      ILE  79  -8.930  21.375   1.138
  611   HG13  ILE  79          HG13      ILE  79  -9.946  21.670  -0.263
  612   HG21  ILE  79          HG21      ILE  79  -6.320  20.343   0.402
  613   HG22  ILE  79          HG22      ILE  79  -7.547  19.322   1.101
  614   HG23  ILE  79          HG23      ILE  79  -6.748  18.807  -0.376
  615   HD11  ILE  79          HD11      ILE  79 -10.971  19.508  -0.090
  616   HD12  ILE  79          HD12      ILE  79 -10.017  19.174   1.393
  617   HD13  ILE  79          HD13      ILE  79 -11.173  20.554   1.326
  618    H    HIS  80           H        HIS  80  -7.856  20.527  -3.867
  619    HA   HIS  80           HA       HIS  80 -10.143  22.184  -4.742
  620    HB2  HIS  80           HB2      HIS  80  -8.305  21.683  -6.332
  621    HB3  HIS  80           HB3      HIS  80  -8.678  19.954  -6.163
  622    HD2  HIS  80           HD2      HIS  80 -10.155  23.226  -7.505
  623    HE1  HIS  80           HE1      HIS  80 -12.471  20.084  -9.215
  624    HE2  HIS  80           HE2      HIS  80 -12.045  22.605  -9.227
  625    H    TYR  81           H        TYR  81 -12.046  21.501  -4.191
  626    HA   TYR  81           HA       TYR  81 -12.602  18.787  -3.190
  627    HB2  TYR  81           HB2      TYR  81 -14.289  21.275  -3.511
  628    HB3  TYR  81           HB3      TYR  81 -15.020  19.696  -3.282
  629    HD1  TYR  81           HD1      TYR  81 -13.984  18.214  -1.277
  630    HD2  TYR  81           HD2      TYR  81 -13.953  22.537  -1.524
  631    HE1  TYR  81           HE1      TYR  81 -13.986  18.344   1.175
  632    HE2  TYR  81           HE2      TYR  81 -13.927  22.666   0.950
  633    HH   TYR  81           HH       TYR  81 -14.076  19.752   3.035
  634    H    GLN  82           H        GLN  82 -12.506  17.270  -4.762
  635    HA   GLN  82           HA       GLN  82 -13.026  17.940  -7.536
  636    HB2  GLN  82           HB2      GLN  82 -12.704  15.161  -6.337
  637    HB3  GLN  82           HB3      GLN  82 -12.593  15.636  -8.033
  638    HG2  GLN  82           HG2      GLN  82 -10.705  17.248  -7.233
  639    HG3  GLN  82           HG3      GLN  82 -10.661  16.263  -5.775
  640   HE21  GLN  82          HE21      GLN  82  -8.488  16.560  -7.453
  641   HE22  GLN  82          HE22      GLN  82  -8.114  15.010  -8.197
  642    H    GLY  83           H        GLY  83 -14.668  17.023  -8.870
  643    HA2  GLY  83           HA2      GLY  83 -16.841  16.510  -9.398
  644    HA3  GLY  83           HA3      GLY  83 -17.085  15.859  -7.764
  645    H    TRP  84           H        TRP  84 -15.807  19.109  -7.634
  646    HA   TRP  84           HA       TRP  84 -18.508  20.290  -7.593
  647    HB2  TRP  84           HB2      TRP  84 -16.572  20.435  -5.235
  648    HB3  TRP  84           HB3      TRP  84 -18.125  21.276  -5.409
  649    HD1  TRP  84           HD1      TRP  84 -16.789  18.249  -3.861
  650    HE1  TRP  84           HE1      TRP  84 -18.748  16.886  -2.919
  651    HE3  TRP  84           HE3      TRP  84 -20.578  20.480  -6.416
  652    HZ2  TRP  84           HZ2      TRP  84 -21.602  16.924  -3.124
  653    HZ3  TRP  84           HZ3      TRP  84 -22.962  19.811  -6.020
  654    HH2  TRP  84           HH2      TRP  84 -23.483  18.033  -4.358
  655    H    LYS  85           H        LYS  85 -18.256  22.708  -7.184
  656    HA   LYS  85           HA       LYS  85 -16.753  23.734  -9.373
  657    HB2  LYS  85           HB2      LYS  85 -17.834  25.287  -6.987
  658    HB3  LYS  85           HB3      LYS  85 -17.417  25.929  -8.561
  659    HG2  LYS  85           HG2      LYS  85 -19.765  24.062  -8.008
  660    HG3  LYS  85           HG3      LYS  85 -19.827  25.799  -8.234
  661    HD2  LYS  85           HD2      LYS  85 -20.487  25.071 -10.291
  662    HD3  LYS  85           HD3      LYS  85 -18.762  25.360 -10.575
  663    HE2  LYS  85           HE2      LYS  85 -18.344  22.901 -10.280
  664    HE3  LYS  85           HE3      LYS  85 -20.066  22.657  -9.964
  665    HZ1  LYS  85           HZ1      LYS  85 -20.520  23.423 -12.213
  666    HZ2  LYS  85           HZ2      LYS  85 -18.922  23.651 -12.511
  667    HZ3  LYS  85           HZ3      LYS  85 -19.504  22.150 -12.245
  668    H    SER  86           H        SER  86 -14.724  24.471  -9.566
  669    HA   SER  86           HA       SER  86 -12.822  24.410  -7.486
  670    HB2  SER  86           HB2      SER  86 -12.705  26.176  -9.960
  671    HB3  SER  86           HB3      SER  86 -11.350  25.415  -9.101
  672    HG   SER  86           HG       SER  86 -12.016  24.362 -11.099
  673    H    SER  87           H        SER  87 -15.345  26.630  -8.260
  674    HA   SER  87           HA       SER  87 -14.547  29.100  -7.400
  675    HB2  SER  87           HB2      SER  87 -17.214  27.667  -7.004
  676    HB3  SER  87           HB3      SER  87 -17.001  29.403  -6.986
  677    HG   SER  87           HG       SER  87 -17.664  28.750  -9.056
  678    H    TRP  88           H        TRP  88 -14.975  26.264  -5.371
  679    HA   TRP  88           HA       TRP  88 -14.434  28.029  -3.080
  680    HB2  TRP  88           HB2      TRP  88 -15.863  26.818  -1.563
  681    HB3  TRP  88           HB3      TRP  88 -16.735  27.691  -2.807
  682    HD1  TRP  88           HD1      TRP  88 -17.550  26.138  -4.933
  683    HE1  TRP  88           HE1      TRP  88 -18.559  23.830  -4.954
  684    HE3  TRP  88           HE3      TRP  88 -16.096  24.607  -0.269
  685    HZ2  TRP  88           HZ2      TRP  88 -18.864  21.573  -3.096
  686    HZ3  TRP  88           HZ3      TRP  88 -16.792  22.379   0.591
  687    HH2  TRP  88           HH2      TRP  88 -18.161  20.856  -0.818
  688    H    ASP  89           H        ASP  89 -12.458  26.988  -4.436
  689    HA   ASP  89           HA       ASP  89 -11.391  24.555  -3.242
  690    HB2  ASP  89           HB2      ASP  89 -10.208  26.922  -4.737
  691    HB3  ASP  89           HB3      ASP  89  -9.178  25.797  -3.830
  692    H    GLU  90           H        GLU  90 -10.545  24.445  -1.172
  693    HA   GLU  90           HA       GLU  90 -10.466  26.907   0.476
  694    HB2  GLU  90           HB2      GLU  90 -12.881  26.048   0.144
  695    HB3  GLU  90           HB3      GLU  90 -12.345  24.491   0.801
  696    HG2  GLU  90           HG2      GLU  90 -13.611  25.850   2.419
  697    HG3  GLU  90           HG3      GLU  90 -12.010  25.444   2.980
  698    H    TRP  91           H        TRP  91  -9.382  26.522   2.550
  699    HA   TRP  91           HA       TRP  91  -8.087  23.939   2.663
  700    HB2  TRP  91           HB2      TRP  91  -7.759  25.321   5.165
  701    HB3  TRP  91           HB3      TRP  91  -6.598  24.624   4.063
  702    HD1  TRP  91           HD1      TRP  91  -8.725  27.852   4.198
  703    HE1  TRP  91           HE1      TRP  91  -7.130  29.822   4.046
  704    HE3  TRP  91           HE3      TRP  91  -4.268  25.340   3.558
  705    HZ2  TRP  91           HZ2      TRP  91  -4.403  30.265   3.464
  706    HZ3  TRP  91           HZ3      TRP  91  -2.162  26.640   3.228
  707    HH2  TRP  91           HH2      TRP  91  -2.244  29.137   3.126
  708    H    VAL  92           H        VAL  92  -8.115  22.459   4.204
  709    HA   VAL  92           HA       VAL  92 -10.213  22.600   6.324
  710    HB   VAL  92           HB       VAL  92 -10.406  20.058   6.030
  711   HG11  VAL  92          HG11      VAL  92 -12.096  20.182   4.345
  712   HG12  VAL  92          HG12      VAL  92 -12.213  21.625   5.372
  713   HG13  VAL  92          HG13      VAL  92 -11.485  21.756   3.757
  714   HG21  VAL  92          HG21      VAL  92  -9.376  20.639   3.239
  715   HG22  VAL  92          HG22      VAL  92  -8.502  19.768   4.496
  716   HG23  VAL  92          HG23      VAL  92 -10.041  19.117   3.867
  717    H    GLY  93           H        GLY  93  -9.709  21.372   8.206
  718    HA2  GLY  93           HA2      GLY  93  -6.803  21.081   8.718
  719    HA3  GLY  93           HA3      GLY  93  -8.099  21.072   9.915
  720    H    TYR  94           H        TYR  94  -6.235  19.135   9.975
  721    HA   TYR  94           HA       TYR  94  -6.762  16.745   8.573
  722    HB2  TYR  94           HB2      TYR  94  -4.979  17.722  10.478
  723    HB3  TYR  94           HB3      TYR  94  -5.758  16.357  11.296
  724    HD1  TYR  94           HD1      TYR  94  -6.100  14.265   9.630
  725    HD2  TYR  94           HD2      TYR  94  -3.136  17.351   9.203
  726    HE1  TYR  94           HE1      TYR  94  -4.980  12.920   7.892
  727    HE2  TYR  94           HE2      TYR  94  -2.084  16.057   7.352
  728    HH   TYR  94           HH       TYR  94  -3.153  12.729   6.475
  729    H    ASP  95           H        ASP  95  -8.404  18.168  11.262
  730    HA   ASP  95           HA       ASP  95  -9.878  15.971  12.263
  731    HB2  ASP  95           HB2      ASP  95  -9.835  18.197  13.318
  732    HB3  ASP  95           HB3      ASP  95 -10.720  18.879  11.952
  733    H    ARG  96           H        ARG  96 -10.155  17.614   9.195
  734    HA   ARG  96           HA       ARG  96 -12.631  16.043   8.550
  735    HB2  ARG  96           HB2      ARG  96 -11.417  18.539   7.314
  736    HB3  ARG  96           HB3      ARG  96 -12.660  17.580   6.519
  737    HG2  ARG  96           HG2      ARG  96 -14.265  18.038   8.263
  738    HG3  ARG  96           HG3      ARG  96 -13.054  18.907   9.234
  739    HD2  ARG  96           HD2      ARG  96 -12.796  20.612   7.570
  740    HD3  ARG  96           HD3      ARG  96 -13.707  19.706   6.370
  741    HE   ARG  96           HE       ARG  96 -14.763  21.228   8.687
  742   HH11  ARG  96          HH11      ARG  96 -15.625  19.082   5.985
  743   HH12  ARG  96          HH12      ARG  96 -17.039  19.980   5.533
  744   HH21  ARG  96          HH21      ARG  96 -16.807  22.234   8.278
  745   HH22  ARG  96          HH22      ARG  96 -17.814  21.666   6.998
  746    H    ILE  97           H        ILE  97  -9.295  16.925   7.307
  747    HA   ILE  97           HA       ILE  97  -9.801  15.008   5.165
  748    HB   ILE  97           HB       ILE  97  -9.187  17.385   4.857
  749   HG12  ILE  97          HG12      ILE  97  -7.410  15.362   3.466
  750   HG13  ILE  97          HG13      ILE  97  -8.992  15.909   2.938
  751   HG21  ILE  97          HG21      ILE  97  -7.211  17.291   6.610
  752   HG22  ILE  97          HG22      ILE  97  -6.266  16.692   5.212
  753   HG23  ILE  97          HG23      ILE  97  -7.154  18.245   5.105
  754   HD11  ILE  97          HD11      ILE  97  -7.992  18.256   2.908
  755   HD12  ILE  97          HD12      ILE  97  -6.402  17.469   3.000
  756   HD13  ILE  97          HD13      ILE  97  -7.473  17.158   1.633
  757    H    ARG  98           H        ARG  98  -8.428  13.482   4.388
  758    HA   ARG  98           HA       ARG  98  -5.837  13.126   5.580
  759    HB2  ARG  98           HB2      ARG  98  -6.768  10.446   5.469
  760    HB3  ARG  98           HB3      ARG  98  -5.934  11.267   6.704
  761    HG2  ARG  98           HG2      ARG  98  -7.918  10.312   7.645
  762    HG3  ARG  98           HG3      ARG  98  -8.092  12.062   7.695
  763    HD2  ARG  98           HD2      ARG  98  -9.522  11.900   5.608
  764    HD3  ARG  98           HD3      ARG  98  -9.387  10.165   5.681
  765    HE   ARG  98           HE       ARG  98 -10.930  11.972   7.418
  766   HH11  ARG  98          HH11      ARG  98  -9.972   8.574   6.866
  767   HH12  ARG  98          HH12      ARG  98 -10.846   7.980   8.228
  768   HH21  ARG  98          HH21      ARG  98 -12.191  11.132   9.144
  769   HH22  ARG  98          HH22      ARG  98 -12.220   9.437   9.459
  770    H    ALA  99           H        ALA  99  -4.523  11.570   4.291
  771    HA   ALA  99           HA       ALA  99  -4.802  12.296   1.561
  772    HB1  ALA  99           HB1      ALA  99  -2.629  11.564   1.311
  773    HB2  ALA  99           HB2      ALA  99  -2.738  11.895   3.057
  774    HB3  ALA  99           HB3      ALA  99  -2.891  10.220   2.520
  775    H    TYR 100           H        TYR 100  -4.343  10.777  -0.238
  776    HA   TYR 100           HA       TYR 100  -6.597   9.053  -0.436
  777    HB2  TYR 100           HB2      TYR 100  -4.804  10.192  -2.227
  778    HB3  TYR 100           HB3      TYR 100  -4.497   8.481  -2.400
  779    HD1  TYR 100           HD1      TYR 100  -7.526  10.734  -2.026
  780    HD2  TYR 100           HD2      TYR 100  -5.773   7.341  -4.042
  781    HE1  TYR 100           HE1      TYR 100  -9.612  10.421  -3.299
  782    HE2  TYR 100           HE2      TYR 100  -7.858   7.043  -5.345
  783    HH   TYR 100           HH       TYR 100 -10.756   9.139  -4.887
  784    H    ASN 101           H        ASN 101  -6.863   7.063   0.327
  785    HA   ASN 101           HA       ASN 101  -4.920   4.997  -0.026
  786    HB2  ASN 101           HB2      ASN 101  -4.549   4.376   2.320
  787    HB3  ASN 101           HB3      ASN 101  -3.909   5.970   1.982
  788   HD21  ASN 101          HD21      ASN 101  -4.402   7.519   3.485
  789   HD22  ASN 101          HD22      ASN 101  -5.735   7.407   4.600
  790    H    GLU 102           H        GLU 102  -5.670   2.898   0.866
  791    HA   GLU 102           HA       GLU 102  -8.215   2.378  -0.165
  792    HB2  GLU 102           HB2      GLU 102  -6.204   0.826   0.042
  793    HB3  GLU 102           HB3      GLU 102  -6.641   0.602   1.740
  794    HG2  GLU 102           HG2      GLU 102  -8.920  -0.203   0.971
  795    HG3  GLU 102           HG3      GLU 102  -8.320  -0.141  -0.687
  796    H    GLU 103           H        GLU 103  -7.232   3.037   3.206
  797    HA   GLU 103           HA       GLU 103  -9.685   2.076   4.412
  798    HB2  GLU 103           HB2      GLU 103  -7.989   2.107   5.913
  799    HB3  GLU 103           HB3      GLU 103  -7.195   3.514   5.234
  800    HG2  GLU 103           HG2      GLU 103  -8.780   5.025   6.263
  801    HG3  GLU 103           HG3      GLU 103  -9.765   3.657   6.841
  802    H    ASN 104           H        ASN 104  -8.673   5.125   2.844
  803    HA   ASN 104           HA       ASN 104 -11.058   6.553   3.886
  804    HB2  ASN 104           HB2      ASN 104  -8.860   7.464   2.085
  805    HB3  ASN 104           HB3      ASN 104 -10.270   8.407   2.643
  806   HD21  ASN 104          HD21      ASN 104  -7.303   8.782   3.170
  807   HD22  ASN 104          HD22      ASN 104  -7.237   8.846   4.917
  808    H    ILE 105           H        ILE 105 -10.015   4.694   1.116
  809    HA   ILE 105           HA       ILE 105 -12.325   5.422  -0.497
  810    HB   ILE 105           HB       ILE 105 -10.039   3.496  -0.484
  811   HG12  ILE 105          HG12      ILE 105  -9.092   4.922  -1.962
  812   HG13  ILE 105          HG13      ILE 105 -10.621   5.230  -2.830
  813   HG21  ILE 105          HG21      ILE 105 -12.340   3.505  -2.411
  814   HG22  ILE 105          HG22      ILE 105 -10.746   2.738  -2.733
  815   HG23  ILE 105          HG23      ILE 105 -11.751   2.173  -1.381
  816   HD11  ILE 105          HD11      ILE 105  -9.574   6.719  -0.404
  817   HD12  ILE 105          HD12      ILE 105  -9.659   7.307  -2.057
  818   HD13  ILE 105          HD13      ILE 105 -11.153   7.049  -1.158
  819    H    ALA 106           H        ALA 106 -11.553   2.985   1.980
  820    HA   ALA 106           HA       ALA 106 -13.936   1.442   1.579
  821    HB1  ALA 106           HB1      ALA 106 -13.385   0.543   3.797
  822    HB2  ALA 106           HB2      ALA 106 -11.905   0.711   2.817
  823    HB3  ALA 106           HB3      ALA 106 -12.253   1.880   4.095
  824    H    MET 107           H        MET 107 -13.065   4.256   3.649
  825    HA   MET 107           HA       MET 107 -15.739   4.649   4.592
  826    HB2  MET 107           HB2      MET 107 -14.904   6.340   5.806
  827    HB3  MET 107           HB3      MET 107 -13.344   5.749   5.255
  828    HG2  MET 107           HG2      MET 107 -13.774   7.507   3.300
  829    HG3  MET 107           HG3      MET 107 -14.900   8.181   4.460
  830    HE1  MET 107           HE1      MET 107 -13.650  10.319   4.311
  831    HE2  MET 107           HE2      MET 107 -11.879  10.592   4.418
  832    HE3  MET 107           HE3      MET 107 -12.556   9.581   3.091
  833    H    LYS 108           H        LYS 108 -14.071   6.011   1.650
  834    HA   LYS 108           HA       LYS 108 -16.164   7.606   0.766
  835    HB2  LYS 108           HB2      LYS 108 -13.964   7.538  -0.424
  836    HB3  LYS 108           HB3      LYS 108 -14.286   5.883  -0.909
  837    HG2  LYS 108           HG2      LYS 108 -14.624   7.206  -2.820
  838    HG3  LYS 108           HG3      LYS 108 -16.145   6.539  -2.334
  839    HD2  LYS 108           HD2      LYS 108 -16.843   8.657  -2.846
  840    HD3  LYS 108           HD3      LYS 108 -16.508   8.924  -1.146
  841    HE2  LYS 108           HE2      LYS 108 -15.514  10.733  -2.318
  842    HE3  LYS 108           HE3      LYS 108 -14.153   9.679  -1.854
  843    HZ1  LYS 108           HZ1      LYS 108 -15.242  10.067  -4.553
  844    HZ2  LYS 108           HZ2      LYS 108 -13.655  10.093  -4.069
  845    HZ3  LYS 108           HZ3      LYS 108 -14.445   8.693  -4.181
  846    H    LYS 109           H        LYS 109 -15.585   4.122  -0.174
  847    HA   LYS 109           HA       LYS 109 -17.975   4.034  -1.705
  848    HB2  LYS 109           HB2      LYS 109 -17.546   1.708  -2.021
  849    HB3  LYS 109           HB3      LYS 109 -15.994   2.553  -1.980
  850    HG2  LYS 109           HG2      LYS 109 -15.748   1.765   0.390
  851    HG3  LYS 109           HG3      LYS 109 -17.192   0.771   0.142
  852    HD2  LYS 109           HD2      LYS 109 -16.120  -0.282  -1.854
  853    HD3  LYS 109           HD3      LYS 109 -14.660   0.718  -1.600
  854    HE2  LYS 109           HE2      LYS 109 -14.316  -0.234   0.573
  855    HE3  LYS 109           HE3      LYS 109 -15.850  -1.132   0.469
  856    HZ1  LYS 109           HZ1      LYS 109 -13.944  -2.557  -0.002
  857    HZ2  LYS 109           HZ2      LYS 109 -14.875  -2.428  -1.334
  858    HZ3  LYS 109           HZ3      LYS 109 -13.466  -1.604  -1.242
  859    H    ARG 110           H        ARG 110 -17.405   3.129   1.721
  860    HA   ARG 110           HA       ARG 110 -20.013   2.036   2.155
  861    HB2  ARG 110           HB2      ARG 110 -18.042   1.720   3.623
  862    HB3  ARG 110           HB3      ARG 110 -18.086   3.419   4.102
  863    HG2  ARG 110           HG2      ARG 110 -20.498   1.616   4.518
  864    HG3  ARG 110           HG3      ARG 110 -19.120   1.547   5.620
  865    HD2  ARG 110           HD2      ARG 110 -19.345   3.812   6.279
  866    HD3  ARG 110           HD3      ARG 110 -20.532   4.182   5.046
  867    HE   ARG 110           HE       ARG 110 -20.972   2.888   7.603
  868   HH11  ARG 110          HH11      ARG 110 -22.361   3.315   4.322
  869   HH12  ARG 110          HH12      ARG 110 -23.948   2.847   4.807
  870   HH21  ARG 110          HH21      ARG 110 -23.105   2.324   8.220
  871   HH22  ARG 110          HH22      ARG 110 -24.390   2.310   7.067
  872    H    LEU 111           H        LEU 111 -18.762   5.386   2.273
  873    HA   LEU 111           HA       LEU 111 -21.192   6.614   3.205
  874    HB2  LEU 111           HB2      LEU 111 -18.701   7.477   1.701
  875    HB3  LEU 111           HB3      LEU 111 -20.009   8.579   1.878
  876    HG   LEU 111           HG       LEU 111 -18.627   7.248   4.224
  877   HD11  LEU 111          HD11      LEU 111 -18.245  10.138   3.485
  878   HD12  LEU 111          HD12      LEU 111 -17.152   9.062   4.359
  879   HD13  LEU 111          HD13      LEU 111 -17.293   8.895   2.626
  880   HD21  LEU 111          HD21      LEU 111 -19.753   9.209   5.449
  881   HD22  LEU 111          HD22      LEU 111 -20.735   9.420   3.972
  882   HD23  LEU 111          HD23      LEU 111 -20.818   7.918   4.894
  883    H    ALA 112           H        ALA 112 -19.735   6.292  -0.016
  884    HA   ALA 112           HA       ALA 112 -21.772   7.450  -1.514
  885    HB1  ALA 112           HB1      ALA 112 -19.860   5.261  -2.386
  886    HB2  ALA 112           HB2      ALA 112 -20.744   6.370  -3.458
  887    HB3  ALA 112           HB3      ALA 112 -19.511   7.008  -2.350
  888    H    ASN 113           H        ASN 113 -22.049   4.419   0.127
  889    HA   ASN 113           HA       ASN 113 -24.069   3.243  -1.614
  890    HB2  ASN 113           HB2      ASN 113 -23.262   2.853   1.278
  891    HB3  ASN 113           HB3      ASN 113 -24.828   2.270   0.749
  892   HD21  ASN 113          HD21      ASN 113 -21.410   2.192  -0.473
  893   HD22  ASN 113          HD22      ASN 113 -21.502   0.519  -0.987
  894    H    LEU 114           H        LEU 114 -24.059   5.829   0.779
  895    HA   LEU 114           HA       LEU 114 -26.974   5.996   1.041
  896    HB2  LEU 114           HB2      LEU 114 -24.745   7.910   1.844
  897    HB3  LEU 114           HB3      LEU 114 -26.443   8.241   2.053
  898    HG   LEU 114           HG       LEU 114 -26.725   6.374   3.594
  899   HD11  LEU 114          HD11      LEU 114 -25.039   4.767   2.913
  900   HD12  LEU 114          HD12      LEU 114 -23.731   5.929   3.238
  901   HD13  LEU 114          HD13      LEU 114 -24.703   5.270   4.581
  902   HD21  LEU 114          HD21      LEU 114 -26.134   8.624   4.408
  903   HD22  LEU 114          HD22      LEU 114 -25.440   7.379   5.459
  904   HD23  LEU 114          HD23      LEU 114 -24.407   8.233   4.281
  905    H    GLU 115           H        GLU 115 -24.425   7.498  -0.855
  906    HA   GLU 115           HA       GLU 115 -25.764   9.757  -1.853
  907    HB2  GLU 115           HB2      GLU 115 -23.320   9.327  -2.035
  908    HB3  GLU 115           HB3      GLU 115 -23.633   8.098  -3.268
  909    HG2  GLU 115           HG2      GLU 115 -24.638   9.815  -4.742
  910    HG3  GLU 115           HG3      GLU 115 -24.396  11.041  -3.495
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  -2.950  -1.601   7.707
    2    H2   MET   1           H2       MET   1  -4.424  -1.029   8.165
    3    H3   MET   1           H3       MET   1  -4.054  -1.188   6.575
    4    HA   MET   1           HA       MET   1  -3.965   1.105   7.227
    5    HB2  MET   1           HB2      MET   1  -3.324   0.551   9.620
    6    HB3  MET   1           HB3      MET   1  -1.667   0.296   9.044
    7    HG2  MET   1           HG2      MET   1  -1.720   2.663   8.132
    8    HG3  MET   1           HG3      MET   1  -3.343   2.827   8.804
    9    HE1  MET   1           HE1      MET   1   0.101   1.305  10.223
   10    HE2  MET   1           HE2      MET   1   0.474   2.843   9.413
   11    HE3  MET   1           HE3      MET   1   0.636   2.702  11.175
   12    H    VAL   2           H        VAL   2  -3.029   2.103   5.485
   13    HA   VAL   2           HA       VAL   2  -0.714   0.770   4.185
   14    HB   VAL   2           HB       VAL   2  -1.217   2.064   2.242
   15   HG11  VAL   2          HG11      VAL   2  -3.351   1.140   1.620
   16   HG12  VAL   2          HG12      VAL   2  -2.503  -0.030   2.636
   17   HG13  VAL   2          HG13      VAL   2  -3.836   0.940   3.312
   18   HG21  VAL   2          HG21      VAL   2  -3.434   3.438   3.819
   19   HG22  VAL   2          HG22      VAL   2  -1.966   4.195   3.157
   20   HG23  VAL   2          HG23      VAL   2  -3.182   3.534   2.068
   21    H    ASP   3           H        ASP   3   0.711   2.716   3.007
   22    HA   ASP   3           HA       ASP   3   1.459   4.771   4.971
   23    HB2  ASP   3           HB2      ASP   3   2.750   2.779   5.657
   24    HB3  ASP   3           HB3      ASP   3   3.340   2.581   4.000
   25    H    LEU   4           H        LEU   4   2.999   6.239   4.012
   26    HA   LEU   4           HA       LEU   4   3.678   7.764   2.594
   27    HB2  LEU   4           HB2      LEU   4   5.035   6.026   1.590
   28    HB3  LEU   4           HB3      LEU   4   3.704   5.532   0.540
   29    HG   LEU   4           HG       LEU   4   3.769   7.718  -0.620
   30   HD11  LEU   4          HD11      LEU   4   6.181   8.297   1.165
   31   HD12  LEU   4          HD12      LEU   4   5.722   9.235  -0.271
   32   HD13  LEU   4          HD13      LEU   4   4.648   9.201   1.128
   33   HD21  LEU   4          HD21      LEU   4   5.879   7.347  -1.808
   34   HD22  LEU   4          HD22      LEU   4   6.466   6.310  -0.488
   35   HD23  LEU   4          HD23      LEU   4   5.071   5.811  -1.469
   36    H    GLU   5           H        GLU   5   1.170   5.834   0.931
   37    HA   GLU   5           HA       GLU   5   0.121   8.083  -0.569
   38    HB2  GLU   5           HB2      GLU   5  -1.164   5.411   0.160
   39    HB3  GLU   5           HB3      GLU   5  -1.783   6.568  -1.024
   40    HG2  GLU   5           HG2      GLU   5   0.367   6.335  -2.312
   41    HG3  GLU   5           HG3      GLU   5   0.855   5.047  -1.206
   42    H    GLN   6           H        GLN   6  -0.522   6.670   2.596
   43    HA   GLN   6           HA       GLN   6  -2.904   8.013   3.234
   44    HB2  GLN   6           HB2      GLN   6  -1.372   6.041   4.390
   45    HB3  GLN   6           HB3      GLN   6  -0.935   7.425   5.401
   46    HG2  GLN   6           HG2      GLN   6  -3.520   7.811   5.548
   47    HG3  GLN   6           HG3      GLN   6  -3.640   6.160   4.918
   48   HE21  GLN   6          HE21      GLN   6  -3.823   4.562   6.616
   49   HE22  GLN   6          HE22      GLN   6  -3.177   4.830   8.216
   50    H    GLU   7           H        GLU   7   0.411   9.209   3.195
   51    HA   GLU   7           HA       GLU   7  -0.011  11.297   5.184
   52    HB2  GLU   7           HB2      GLU   7   2.178  10.921   3.063
   53    HB3  GLU   7           HB3      GLU   7   2.162  12.156   4.316
   54    HG2  GLU   7           HG2      GLU   7   2.092  10.358   6.073
   55    HG3  GLU   7           HG3      GLU   7   2.302   9.147   4.798
   56    H    PHE   8           H        PHE   8  -0.327  13.461   4.723
   57    HA   PHE   8           HA       PHE   8  -1.704  14.294   2.337
   58    HB2  PHE   8           HB2      PHE   8  -1.265  16.543   3.087
   59    HB3  PHE   8           HB3      PHE   8  -1.781  15.608   4.474
   60    HD1  PHE   8           HD1      PHE   8  -0.026  14.929   6.244
   61    HD2  PHE   8           HD2      PHE   8   0.989  17.381   2.841
   62    HE1  PHE   8           HE1      PHE   8   2.072  15.614   7.362
   63    HE2  PHE   8           HE2      PHE   8   3.093  18.078   3.978
   64    HZ   PHE   8           HZ       PHE   8   3.642  17.174   6.230
   65    H    ALA   9           H        ALA   9  -0.836  15.130   0.462
   66    HA   ALA   9           HA       ALA   9   2.165  15.231   0.281
   67    HB1  ALA   9           HB1      ALA   9   1.305  13.114  -0.445
   68    HB2  ALA   9           HB2      ALA   9   0.059  13.918  -1.438
   69    HB3  ALA   9           HB3      ALA   9   1.786  14.048  -1.896
   70    H    LEU  10           H        LEU  10   2.969  16.480  -1.541
   71    HA   LEU  10           HA       LEU  10   1.444  18.962  -1.801
   72    HB2  LEU  10           HB2      LEU  10   4.139  18.230  -2.999
   73    HB3  LEU  10           HB3      LEU  10   3.270  19.754  -3.134
   74    HG   LEU  10           HG       LEU  10   4.675  18.603  -0.741
   75   HD11  LEU  10          HD11      LEU  10   5.665  20.843  -0.683
   76   HD12  LEU  10          HD12      LEU  10   5.768  20.224  -2.348
   77   HD13  LEU  10          HD13      LEU  10   4.534  21.421  -1.921
   78   HD21  LEU  10          HD21      LEU  10   2.465  20.696  -0.625
   79   HD22  LEU  10          HD22      LEU  10   2.460  19.118   0.184
   80   HD23  LEU  10          HD23      LEU  10   3.622  20.354   0.688
   81    H    GLY  11           H        GLY  11  -0.302  18.317  -2.760
   82    HA2  GLY  11           HA2      GLY  11  -1.565  18.430  -4.752
   83    HA3  GLY  11           HA3      GLY  11  -0.196  17.772  -5.699
   84    H    GLY  12           H        GLY  12  -0.987  16.476  -2.474
   85    HA2  GLY  12           HA2      GLY  12  -1.695  13.876  -3.483
   86    HA3  GLY  12           HA3      GLY  12  -1.959  14.523  -1.834
   87    H    ARG  13           H        ARG  13  -3.825  13.165  -3.453
   88    HA   ARG  13           HA       ARG  13  -5.890  15.242  -4.057
   89    HB2  ARG  13           HB2      ARG  13  -5.803  12.297  -4.808
   90    HB3  ARG  13           HB3      ARG  13  -7.336  13.153  -4.547
   91    HG2  ARG  13           HG2      ARG  13  -6.845  13.112  -6.901
   92    HG3  ARG  13           HG3      ARG  13  -6.732  14.774  -6.303
   93    HD2  ARG  13           HD2      ARG  13  -4.284  14.537  -6.143
   94    HD3  ARG  13           HD3      ARG  13  -4.418  12.867  -6.743
   95    HE   ARG  13           HE       ARG  13  -5.483  13.988  -8.811
   96   HH11  ARG  13          HH11      ARG  13  -2.771  15.565  -7.021
   97   HH12  ARG  13          HH12      ARG  13  -2.362  16.591  -8.354
   98   HH21  ARG  13          HH21      ARG  13  -4.846  15.350 -10.540
   99   HH22  ARG  13          HH22      ARG  13  -3.511  16.433 -10.347
  100    H    CYS  14           H        CYS  14  -7.691  14.948  -2.691
  101    HA   CYS  14           HA       CYS  14  -7.109  13.447  -0.177
  102    HB2  CYS  14           HB2      CYS  14  -7.191  16.416  -0.573
  103    HB3  CYS  14           HB3      CYS  14  -8.114  15.742   0.791
  104    HG   CYS  14           HG       CYS  14  -5.770  16.508   1.610
  105    H    LEU  15           H        LEU  15  -8.941  13.659   1.300
  106    HA   LEU  15           HA       LEU  15 -11.588  13.863   0.020
  107    HB2  LEU  15           HB2      LEU  15 -10.483  11.444   1.544
  108    HB3  LEU  15           HB3      LEU  15 -12.194  11.679   1.134
  109    HG   LEU  15           HG       LEU  15  -9.910  11.534  -0.869
  110   HD11  LEU  15          HD11      LEU  15 -11.657   9.255  -0.071
  111   HD12  LEU  15          HD12      LEU  15 -10.716   9.386  -1.586
  112   HD13  LEU  15          HD13      LEU  15  -9.882   9.449  -0.054
  113   HD21  LEU  15          HD21      LEU  15 -12.758  12.255  -1.161
  114   HD22  LEU  15          HD22      LEU  15 -11.423  12.397  -2.296
  115   HD23  LEU  15          HD23      LEU  15 -12.313  10.887  -2.210
  116    H    ALA  16           H        ALA  16 -12.764  15.088   1.371
  117    HA   ALA  16           HA       ALA  16 -11.870  15.310   4.182
  118    HB1  ALA  16           HB1      ALA  16 -12.440  17.794   4.027
  119    HB2  ALA  16           HB2      ALA  16 -10.979  17.306   3.194
  120    HB3  ALA  16           HB3      ALA  16 -12.462  17.589   2.252
  121    H    PHE  17           H        PHE  17 -13.285  15.272   5.661
  122    HA   PHE  17           HA       PHE  17 -15.889  14.167   4.921
  123    HB2  PHE  17           HB2      PHE  17 -14.040  14.020   7.228
  124    HB3  PHE  17           HB3      PHE  17 -15.726  14.131   7.687
  125    HD1  PHE  17           HD1      PHE  17 -17.373  12.480   6.279
  126    HD2  PHE  17           HD2      PHE  17 -13.147  11.885   6.938
  127    HE1  PHE  17           HE1      PHE  17 -17.701  10.094   6.145
  128    HE2  PHE  17           HE2      PHE  17 -13.510   9.431   6.862
  129    HZ   PHE  17           HZ       PHE  17 -15.785   8.509   6.462
  130    H    HIS  18           H        HIS  18 -17.814  14.681   5.713
  131    HA   HIS  18           HA       HIS  18 -18.198  17.395   6.904
  132    HB2  HIS  18           HB2      HIS  18 -19.667  16.195   4.521
  133    HB3  HIS  18           HB3      HIS  18 -20.298  17.532   5.477
  134    HD2  HIS  18           HD2      HIS  18 -17.668  16.754   2.808
  135    HE1  HIS  18           HE1      HIS  18 -17.371  20.928   3.592
  136    HE2  HIS  18           HE2      HIS  18 -16.632  19.050   2.055
  137    H    GLY  19           H        GLY  19 -19.700  14.170   6.222
  138    HA2  GLY  19           HA2      GLY  19 -20.145  13.287   8.695
  139    HA3  GLY  19           HA3      GLY  19 -21.466  14.459   8.583
  140    HA   PRO  20           HA       PRO  20 -23.989  11.659   6.152
  141    HB2  PRO  20           HB2      PRO  20 -23.905  13.587   3.843
  142    HB3  PRO  20           HB3      PRO  20 -25.321  12.801   4.600
  143    HG2  PRO  20           HG2      PRO  20 -24.754  15.410   5.136
  144    HG3  PRO  20           HG3      PRO  20 -25.288  14.310   6.449
  145    HD2  PRO  20           HD2      PRO  20 -22.480  15.216   5.779
  146    HD3  PRO  20           HD3      PRO  20 -23.270  15.052   7.375
  147    H    LEU  21           H        LEU  21 -21.392  13.307   4.337
  148    HA   LEU  21           HA       LEU  21 -20.264  10.792   3.495
  149    HB2  LEU  21           HB2      LEU  21 -21.951  12.186   1.646
  150    HB3  LEU  21           HB3      LEU  21 -20.340  12.652   1.180
  151    HG   LEU  21           HG       LEU  21 -20.052   9.936   1.646
  152   HD11  LEU  21          HD11      LEU  21 -22.463   9.626   1.893
  153   HD12  LEU  21          HD12      LEU  21 -22.734  10.425   0.311
  154   HD13  LEU  21          HD13      LEU  21 -21.936   8.839   0.413
  155   HD21  LEU  21          HD21      LEU  21 -20.033   9.545  -0.775
  156   HD22  LEU  21          HD22      LEU  21 -20.449  11.276  -0.993
  157   HD23  LEU  21          HD23      LEU  21 -18.929  10.764  -0.172
  158    H    MET  22           H        MET  22 -18.331  11.664   1.821
  159    HA   MET  22           HA       MET  22 -17.074  14.062   2.957
  160    HB2  MET  22           HB2      MET  22 -15.081  13.039   3.458
  161    HB3  MET  22           HB3      MET  22 -16.128  11.674   3.829
  162    HG2  MET  22           HG2      MET  22 -14.538  12.209   1.312
  163    HG3  MET  22           HG3      MET  22 -14.141  11.126   2.618
  164    HE1  MET  22           HE1      MET  22 -14.733  10.982  -0.770
  165    HE2  MET  22           HE2      MET  22 -13.550  10.107   0.264
  166    HE3  MET  22           HE3      MET  22 -14.693   9.216  -0.702
  167    H    TYR  23           H        TYR  23 -15.515  14.895   1.225
  168    HA   TYR  23           HA       TYR  23 -16.283  13.909  -1.486
  169    HB2  TYR  23           HB2      TYR  23 -16.507  16.803  -0.611
  170    HB3  TYR  23           HB3      TYR  23 -16.728  16.186  -2.245
  171    HD1  TYR  23           HD1      TYR  23 -18.458  13.979  -2.249
  172    HD2  TYR  23           HD2      TYR  23 -18.527  17.321   0.494
  173    HE1  TYR  23           HE1      TYR  23 -20.804  13.425  -1.637
  174    HE2  TYR  23           HE2      TYR  23 -20.881  16.796   1.062
  175    HH   TYR  23           HH       TYR  23 -22.600  13.977  -0.393
  176    H    GLU  24           H        GLU  24 -14.918  14.671  -3.173
  177    HA   GLU  24           HA       GLU  24 -12.181  14.274  -2.536
  178    HB2  GLU  24           HB2      GLU  24 -13.652  15.303  -5.008
  179    HB3  GLU  24           HB3      GLU  24 -11.900  15.138  -4.934
  180    HG2  GLU  24           HG2      GLU  24 -12.552  13.250  -6.050
  181    HG3  GLU  24           HG3      GLU  24 -12.215  12.679  -4.430
  182    H    ALA  25           H        ALA  25 -10.581  15.488  -2.277
  183    HA   ALA  25           HA       ALA  25 -10.850  18.394  -2.238
  184    HB1  ALA  25           HB1      ALA  25 -10.937  17.867   0.072
  185    HB2  ALA  25           HB2      ALA  25  -9.814  16.544  -0.066
  186    HB3  ALA  25           HB3      ALA  25  -9.217  18.201  -0.188
  187    H    LYS  26           H        LYS  26  -8.537  19.323  -2.626
  188    HA   LYS  26           HA       LYS  26  -6.664  17.448  -3.944
  189    HB2  LYS  26           HB2      LYS  26  -8.683  18.452  -5.463
  190    HB3  LYS  26           HB3      LYS  26  -7.578  19.806  -5.557
  191    HG2  LYS  26           HG2      LYS  26  -6.923  16.993  -6.394
  192    HG3  LYS  26           HG3      LYS  26  -7.366  18.322  -7.473
  193    HD2  LYS  26           HD2      LYS  26  -5.059  18.336  -5.555
  194    HD3  LYS  26           HD3      LYS  26  -4.906  17.938  -7.283
  195    HE2  LYS  26           HE2      LYS  26  -5.651  20.208  -7.873
  196    HE3  LYS  26           HE3      LYS  26  -5.898  20.609  -6.162
  197    HZ1  LYS  26           HZ1      LYS  26  -3.512  20.340  -5.810
  198    HZ2  LYS  26           HZ2      LYS  26  -3.327  19.961  -7.434
  199    HZ3  LYS  26           HZ3      LYS  26  -3.837  21.429  -7.030
  200    H    ILE  27           H        ILE  27  -4.955  18.021  -2.647
  201    HA   ILE  27           HA       ILE  27  -4.793  20.524  -1.295
  202    HB   ILE  27           HB       ILE  27  -2.730  18.316  -1.708
  203   HG12  ILE  27          HG12      ILE  27  -4.558  18.746   0.673
  204   HG13  ILE  27          HG13      ILE  27  -4.930  17.614  -0.602
  205   HG21  ILE  27          HG21      ILE  27  -1.737  19.230   0.462
  206   HG22  ILE  27          HG22      ILE  27  -1.593  20.314  -0.904
  207   HG23  ILE  27          HG23      ILE  27  -2.846  20.601   0.314
  208   HD11  ILE  27          HD11      ILE  27  -3.331  16.076   0.043
  209   HD12  ILE  27          HD12      ILE  27  -2.293  17.246   0.842
  210   HD13  ILE  27          HD13      ILE  27  -3.839  16.859   1.631
  211    H    LEU  28           H        LEU  28  -3.704  22.415  -1.770
  212    HA   LEU  28           HA       LEU  28  -1.456  22.351  -3.717
  213    HB2  LEU  28           HB2      LEU  28  -3.471  23.092  -4.854
  214    HB3  LEU  28           HB3      LEU  28  -3.936  24.159  -3.538
  215    HG   LEU  28           HG       LEU  28  -1.489  24.680  -5.284
  216   HD11  LEU  28          HD11      LEU  28  -3.521  24.494  -6.615
  217   HD12  LEU  28          HD12      LEU  28  -4.421  25.482  -5.453
  218   HD13  LEU  28          HD13      LEU  28  -3.144  26.227  -6.463
  219   HD21  LEU  28          HD21      LEU  28  -3.170  26.572  -3.525
  220   HD22  LEU  28          HD22      LEU  28  -1.474  26.125  -3.231
  221   HD23  LEU  28          HD23      LEU  28  -1.874  27.060  -4.640
  222    H    LYS  29           H        LYS  29  -3.122  24.477  -1.319
  223    HA   LYS  29           HA       LYS  29  -0.414  25.592  -0.762
  224    HB2  LYS  29           HB2      LYS  29  -2.734  26.949  -1.332
  225    HB3  LYS  29           HB3      LYS  29  -2.834  26.902   0.421
  226    HG2  LYS  29           HG2      LYS  29  -1.091  28.295   0.754
  227    HG3  LYS  29           HG3      LYS  29  -0.197  27.744  -0.653
  228    HD2  LYS  29           HD2      LYS  29  -0.879  30.000  -1.050
  229    HD3  LYS  29           HD3      LYS  29  -1.753  28.938  -2.163
  230    HE2  LYS  29           HE2      LYS  29  -3.730  28.988  -0.617
  231    HE3  LYS  29           HE3      LYS  29  -2.800  30.070   0.455
  232    HZ1  LYS  29           HZ1      LYS  29  -2.643  31.602  -1.510
  233    HZ2  LYS  29           HZ2      LYS  29  -3.782  30.693  -2.265
  234    HZ3  LYS  29           HZ3      LYS  29  -4.116  31.494  -0.864
  235    H    ILE  30           H        ILE  30   0.550  24.962   1.175
  236    HA   ILE  30           HA       ILE  30  -1.278  23.529   3.029
  237    HB   ILE  30           HB       ILE  30  -0.021  21.714   3.269
  238   HG12  ILE  30          HG12      ILE  30   2.234  22.559   3.492
  239   HG13  ILE  30          HG13      ILE  30   2.151  21.166   2.423
  240   HG21  ILE  30          HG21      ILE  30   0.055  20.707   1.076
  241   HG22  ILE  30          HG22      ILE  30  -1.263  21.924   1.102
  242   HG23  ILE  30          HG23      ILE  30   0.205  22.279   0.262
  243   HD11  ILE  30          HD11      ILE  30   2.288  24.059   1.585
  244   HD12  ILE  30          HD12      ILE  30   3.632  22.890   1.513
  245   HD13  ILE  30          HD13      ILE  30   2.221  22.705   0.438
  246    H    TRP  31           H        TRP  31  -0.947  23.672   4.989
  247    HA   TRP  31           HA       TRP  31   0.774  25.955   5.961
  248    HB2  TRP  31           HB2      TRP  31  -1.315  26.949   5.766
  249    HB3  TRP  31           HB3      TRP  31  -2.170  25.482   6.159
  250    HD1  TRP  31           HD1      TRP  31  -2.106  24.766   8.895
  251    HE1  TRP  31           HE1      TRP  31  -2.384  26.295  10.927
  252    HE3  TRP  31           HE3      TRP  31  -0.807  29.242   6.759
  253    HZ2  TRP  31           HZ2      TRP  31  -2.105  29.038  11.552
  254    HZ3  TRP  31           HZ3      TRP  31  -0.936  31.324   8.108
  255    HH2  TRP  31           HH2      TRP  31  -1.653  31.241  10.488
  256    H    ASP  32           H        ASP  32   1.338  26.020   8.132
  257    HA   ASP  32           HA       ASP  32   1.171  23.585   9.687
  258    HB2  ASP  32           HB2      ASP  32   3.120  23.353   8.096
  259    HB3  ASP  32           HB3      ASP  32   3.831  24.802   8.831
  260    HA   PRO  33           HA       PRO  33   0.858  27.204  12.335
  261    HB2  PRO  33           HB2      PRO  33   0.801  25.902  14.819
  262    HB3  PRO  33           HB3      PRO  33  -0.581  26.160  13.730
  263    HG2  PRO  33           HG2      PRO  33   1.250  23.745  13.928
  264    HG3  PRO  33           HG3      PRO  33  -0.549  23.761  13.815
  265    HD2  PRO  33           HD2      PRO  33   1.011  23.218  11.737
  266    HD3  PRO  33           HD3      PRO  33  -0.455  24.231  11.524
  267    H    SER  34           H        SER  34   3.667  25.214  12.245
  268    HA   SER  34           HA       SER  34   5.048  26.125  14.559
  269    HB2  SER  34           HB2      SER  34   6.263  25.303  11.895
  270    HB3  SER  34           HB3      SER  34   7.070  25.328  13.473
  271    HG   SER  34           HG       SER  34   5.003  23.655  12.510
  272    H    SER  35           H        SER  35   4.526  27.686  11.447
  273    HA   SER  35           HA       SER  35   5.873  30.129  12.517
  274    HB2  SER  35           HB2      SER  35   5.687  29.306   9.593
  275    HB3  SER  35           HB3      SER  35   6.592  30.671  10.267
  276    HG   SER  35           HG       SER  35   7.957  29.164  11.322
  277    H    LYS  36           H        LYS  36   2.931  28.753  11.810
  278    HA   LYS  36           HA       LYS  36   0.955  29.344  10.929
  279    HB2  LYS  36           HB2      LYS  36   1.660  31.680  12.712
  280    HB3  LYS  36           HB3      LYS  36   0.172  31.738  11.795
  281    HG2  LYS  36           HG2      LYS  36  -0.905  30.168  12.971
  282    HG3  LYS  36           HG3      LYS  36   0.501  29.153  13.207
  283    HD2  LYS  36           HD2      LYS  36   0.009  31.747  14.732
  284    HD3  LYS  36           HD3      LYS  36  -0.418  30.125  15.317
  285    HE2  LYS  36           HE2      LYS  36   1.938  29.414  15.165
  286    HE3  LYS  36           HE3      LYS  36   2.407  30.998  14.547
  287    HZ1  LYS  36           HZ1      LYS  36   2.830  30.809  16.909
  288    HZ2  LYS  36           HZ2      LYS  36   1.693  31.960  16.666
  289    HZ3  LYS  36           HZ3      LYS  36   1.264  30.481  17.233
  290    H    MET  37           H        MET  37   2.488  29.305   8.910
  291    HA   MET  37           HA       MET  37   1.416  31.334   7.156
  292    HB2  MET  37           HB2      MET  37   4.393  30.745   7.317
  293    HB3  MET  37           HB3      MET  37   3.609  31.625   5.995
  294    HG2  MET  37           HG2      MET  37   2.773  33.299   7.671
  295    HG3  MET  37           HG3      MET  37   3.740  32.486   8.899
  296    HE1  MET  37           HE1      MET  37   5.976  32.011   6.277
  297    HE2  MET  37           HE2      MET  37   7.273  33.062   6.852
  298    HE3  MET  37           HE3      MET  37   6.449  31.897   7.967
  299    H    TYR  38           H        TYR  38   2.015  30.490   4.846
  300    HA   TYR  38           HA       TYR  38   1.518  27.550   4.865
  301    HB2  TYR  38           HB2      TYR  38   0.081  27.946   2.972
  302    HB3  TYR  38           HB3      TYR  38  -0.379  28.960   4.345
  303    HD1  TYR  38           HD1      TYR  38   1.299  29.071   0.980
  304    HD2  TYR  38           HD2      TYR  38  -0.113  31.249   4.396
  305    HE1  TYR  38           HE1      TYR  38   1.369  31.112  -0.364
  306    HE2  TYR  38           HE2      TYR  38   0.240  33.374   3.149
  307    HH   TYR  38           HH       TYR  38   0.779  34.366   1.205
  308    H    THR  39           H        THR  39   1.714  27.070   2.137
  309    HA   THR  39           HA       THR  39   4.179  27.925   0.968
  310    HB   THR  39           HB       THR  39   4.556  25.104   1.132
  311    HG1  THR  39           HG1      THR  39   3.267  25.352   3.165
  312   HG21  THR  39          HG21      THR  39   6.329  26.695   0.877
  313   HG22  THR  39          HG22      THR  39   6.019  27.391   2.480
  314   HG23  THR  39          HG23      THR  39   6.645  25.721   2.321
  315    H    SER  40           H        SER  40   4.313  26.702  -1.240
  316    HA   SER  40           HA       SER  40   2.189  24.850  -1.900
  317    HB2  SER  40           HB2      SER  40   1.095  27.188  -2.179
  318    HB3  SER  40           HB3      SER  40   2.180  27.294  -3.575
  319    HG   SER  40           HG       SER  40   0.459  25.107  -3.114
  320    H    ILE  41           H        ILE  41   2.528  24.198  -4.215
  321    HA   ILE  41           HA       ILE  41   5.096  24.992  -5.359
  322    HB   ILE  41           HB       ILE  41   5.506  22.600  -6.046
  323   HG12  ILE  41          HG12      ILE  41   4.653  20.834  -4.597
  324   HG13  ILE  41          HG13      ILE  41   3.465  21.941  -3.881
  325   HG21  ILE  41          HG21      ILE  41   5.609  23.212  -3.077
  326   HG22  ILE  41          HG22      ILE  41   6.600  22.049  -3.969
  327   HG23  ILE  41          HG23      ILE  41   6.767  23.776  -4.292
  328   HD11  ILE  41          HD11      ILE  41   3.459  21.546  -6.863
  329   HD12  ILE  41          HD12      ILE  41   2.824  20.254  -5.816
  330   HD13  ILE  41          HD13      ILE  41   2.108  21.867  -5.741
  331    HA   PRO  42           HA       PRO  42   2.507  25.410  -8.972
  332    HB2  PRO  42           HB2      PRO  42   4.347  26.226 -10.774
  333    HB3  PRO  42           HB3      PRO  42   4.082  27.180  -9.282
  334    HG2  PRO  42           HG2      PRO  42   6.138  24.935  -9.701
  335    HG3  PRO  42           HG3      PRO  42   6.503  26.609  -9.227
  336    HD2  PRO  42           HD2      PRO  42   6.177  24.746  -7.310
  337    HD3  PRO  42           HD3      PRO  42   5.317  26.315  -7.086
  338    H    ASN  43           H        ASN  43   4.344  22.673  -8.482
  339    HA   ASN  43           HA       ASN  43   4.429  21.556 -11.138
  340    HB2  ASN  43           HB2      ASN  43   5.883  20.842  -9.210
  341    HB3  ASN  43           HB3      ASN  43   4.456  20.134  -8.441
  342   HD21  ASN  43          HD21      ASN  43   4.507  17.898  -8.703
  343   HD22  ASN  43          HD22      ASN  43   5.009  17.086 -10.163
  344    H    ASP  44           H        ASP  44   1.774  22.252  -9.173
  345    HA   ASP  44           HA       ASP  44  -0.015  20.472 -10.663
  346    HB2  ASP  44           HB2      ASP  44   0.727  19.437  -8.360
  347    HB3  ASP  44           HB3      ASP  44  -0.327  20.667  -7.660
  348    H    LYS  45           H        LYS  45  -2.435  21.353  -9.777
  349    HA   LYS  45           HA       LYS  45  -2.337  24.332  -9.884
  350    HB2  LYS  45           HB2      LYS  45  -3.747  24.375 -11.875
  351    HB3  LYS  45           HB3      LYS  45  -2.264  23.501 -12.207
  352    HG2  LYS  45           HG2      LYS  45  -3.437  21.348 -12.062
  353    HG3  LYS  45           HG3      LYS  45  -4.926  22.153 -11.564
  354    HD2  LYS  45           HD2      LYS  45  -5.094  21.568 -13.903
  355    HD3  LYS  45           HD3      LYS  45  -5.095  23.317 -13.701
  356    HE2  LYS  45           HE2      LYS  45  -3.772  22.817 -15.619
  357    HE3  LYS  45           HE3      LYS  45  -2.668  23.371 -14.361
  358    HZ1  LYS  45           HZ1      LYS  45  -1.824  21.426 -15.519
  359    HZ2  LYS  45           HZ2      LYS  45  -2.087  21.032 -13.954
  360    HZ3  LYS  45           HZ3      LYS  45  -3.138  20.542 -15.116
  361    HA   PRO  46           HA       PRO  46  -6.000  23.857  -7.378
  362    HB2  PRO  46           HB2      PRO  46  -7.639  25.934  -8.196
  363    HB3  PRO  46           HB3      PRO  46  -6.245  26.121  -7.094
  364    HG2  PRO  46           HG2      PRO  46  -6.395  26.693 -10.056
  365    HG3  PRO  46           HG3      PRO  46  -5.545  27.620  -8.787
  366    HD2  PRO  46           HD2      PRO  46  -4.272  25.882 -10.470
  367    HD3  PRO  46           HD3      PRO  46  -3.723  26.141  -8.791
  368    H    GLY  47           H        GLY  47  -6.584  24.498 -10.861
  369    HA2  GLY  47           HA2      GLY  47  -8.225  22.394 -11.556
  370    HA3  GLY  47           HA3      GLY  47  -9.299  23.567 -10.748
  371    H    GLY  48           H        GLY  48  -7.873  25.969 -11.553
  372    HA2  GLY  48           HA2      GLY  48  -8.405  26.141 -14.455
  373    HA3  GLY  48           HA3      GLY  48  -8.345  27.475 -13.293
  374    H    SER  49           H        SER  49  -6.868  28.053 -15.120
  375    HA   SER  49           HA       SER  49  -4.318  26.732 -15.300
  376    HB2  SER  49           HB2      SER  49  -5.190  29.312 -16.662
  377    HB3  SER  49           HB3      SER  49  -3.929  28.191 -17.204
  378    HG   SER  49           HG       SER  49  -5.875  27.884 -18.360
  379    H    SER  50           H        SER  50  -5.173  28.754 -12.991
  380    HA   SER  50           HA       SER  50  -2.657  30.313 -12.833
  381    HB2  SER  50           HB2      SER  50  -4.874  30.033 -10.766
  382    HB3  SER  50           HB3      SER  50  -3.521  31.185 -10.759
  383    HG   SER  50           HG       SER  50  -5.464  32.142 -11.548
  384    H    GLN  51           H        GLN  51  -1.197  28.808 -12.885
  385    HA   GLN  51           HA       GLN  51  -1.366  26.336 -11.474
  386    HB2  GLN  51           HB2      GLN  51  -0.292  27.025 -13.799
  387    HB3  GLN  51           HB3      GLN  51   1.171  27.291 -12.835
  388    HG2  GLN  51           HG2      GLN  51   0.898  24.973 -11.919
  389    HG3  GLN  51           HG3      GLN  51  -0.548  24.786 -12.916
  390   HE21  GLN  51          HE21      GLN  51   2.749  24.111 -12.861
  391   HE22  GLN  51          HE22      GLN  51   3.015  23.904 -14.589
  392    H    ALA  52           H        ALA  52  -1.582  27.909  -9.399
  393    HA   ALA  52           HA       ALA  52  -0.785  28.492  -7.348
  394    HB1  ALA  52           HB1      ALA  52   0.561  26.723  -6.288
  395    HB2  ALA  52           HB2      ALA  52  -0.780  26.057  -7.285
  396    HB3  ALA  52           HB3      ALA  52   0.879  26.062  -7.906
  397    H    THR  53           H        THR  53   0.503  29.764  -9.447
  398    HA   THR  53           HA       THR  53   2.073  31.280  -9.935
  399    HB   THR  53           HB       THR  53   2.639  31.249  -6.963
  400    HG1  THR  53           HG1      THR  53   0.495  31.739  -7.502
  401   HG21  THR  53          HG21      THR  53   3.455  33.579  -7.413
  402   HG22  THR  53          HG22      THR  53   4.460  32.326  -8.165
  403   HG23  THR  53          HG23      THR  53   3.332  33.241  -9.166
  404    H    LYS  54           H        LYS  54   4.102  29.807  -7.420
  405    HA   LYS  54           HA       LYS  54   5.981  28.604  -9.217
  406    HB2  LYS  54           HB2      LYS  54   6.476  31.265  -9.180
  407    HB3  LYS  54           HB3      LYS  54   7.221  30.824  -7.615
  408    HG2  LYS  54           HG2      LYS  54   8.345  28.944  -9.039
  409    HG3  LYS  54           HG3      LYS  54   7.820  29.904 -10.419
  410    HD2  LYS  54           HD2      LYS  54   8.974  31.908  -9.424
  411    HD3  LYS  54           HD3      LYS  54   9.609  30.878  -8.113
  412    HE2  LYS  54           HE2      LYS  54   9.839  30.164 -11.018
  413    HE3  LYS  54           HE3      LYS  54  11.022  31.273 -10.289
  414    HZ1  LYS  54           HZ1      LYS  54  11.699  28.866 -10.298
  415    HZ2  LYS  54           HZ2      LYS  54  11.742  29.560  -8.825
  416    HZ3  LYS  54           HZ3      LYS  54  10.525  28.550  -9.191
  417    H    GLU  55           H        GLU  55   8.113  28.152  -7.369
  418    HA   GLU  55           HA       GLU  55   6.840  26.798  -5.197
  419    HB2  GLU  55           HB2      GLU  55   9.752  27.709  -5.329
  420    HB3  GLU  55           HB3      GLU  55   9.037  26.534  -4.232
  421    HG2  GLU  55           HG2      GLU  55   9.848  25.038  -5.694
  422    HG3  GLU  55           HG3      GLU  55   8.340  25.334  -6.550
  423    H    ILE  56           H        ILE  56   5.671  27.829  -3.645
  424    HA   ILE  56           HA       ILE  56   6.106  30.689  -3.378
  425    HB   ILE  56           HB       ILE  56   4.008  29.128  -1.852
  426   HG12  ILE  56          HG12      ILE  56   3.900  30.235  -4.696
  427   HG13  ILE  56          HG13      ILE  56   3.743  28.542  -4.202
  428   HG21  ILE  56          HG21      ILE  56   4.415  31.456  -1.132
  429   HG22  ILE  56          HG22      ILE  56   4.249  32.031  -2.804
  430   HG23  ILE  56          HG23      ILE  56   2.866  31.358  -1.937
  431   HD11  ILE  56          HD11      ILE  56   1.616  29.149  -4.661
  432   HD12  ILE  56          HD12      ILE  56   1.646  29.345  -2.863
  433   HD13  ILE  56          HD13      ILE  56   1.745  30.766  -3.935
  434    H    LYS  57           H        LYS  57   7.003  31.706  -1.652
  435    HA   LYS  57           HA       LYS  57   8.544  30.103   0.277
  436    HB2  LYS  57           HB2      LYS  57   8.279  33.092  -0.312
  437    HB3  LYS  57           HB3      LYS  57   9.113  32.494   1.112
  438    HG2  LYS  57           HG2      LYS  57  10.703  33.017  -0.656
  439    HG3  LYS  57           HG3      LYS  57  10.760  31.300  -0.228
  440    HD2  LYS  57           HD2      LYS  57   9.526  30.703  -2.242
  441    HD3  LYS  57           HD3      LYS  57   9.250  32.414  -2.638
  442    HE2  LYS  57           HE2      LYS  57  11.717  32.691  -2.911
  443    HE3  LYS  57           HE3      LYS  57  11.936  30.985  -2.502
  444    HZ1  LYS  57           HZ1      LYS  57  10.542  30.450  -4.465
  445    HZ2  LYS  57           HZ2      LYS  57  10.473  32.038  -4.855
  446    HZ3  LYS  57           HZ3      LYS  57  11.907  31.255  -4.879
  447    HA   PRO  58           HA       PRO  58   5.204  30.527   3.168
  448    HB2  PRO  58           HB2      PRO  58   6.410  30.121   5.604
  449    HB3  PRO  58           HB3      PRO  58   6.275  28.820   4.407
  450    HG2  PRO  58           HG2      PRO  58   8.664  30.554   4.944
  451    HG3  PRO  58           HG3      PRO  58   8.586  28.784   4.706
  452    HD2  PRO  58           HD2      PRO  58   9.155  30.661   2.756
  453    HD3  PRO  58           HD3      PRO  58   8.455  29.015   2.374
  454    H    GLN  59           H        GLN  59   4.251  32.371   3.451
  455    HA   GLN  59           HA       GLN  59   5.673  34.716   4.583
  456    HB2  GLN  59           HB2      GLN  59   4.219  34.599   1.902
  457    HB3  GLN  59           HB3      GLN  59   4.553  36.105   2.751
  458    HG2  GLN  59           HG2      GLN  59   6.718  34.173   1.806
  459    HG3  GLN  59           HG3      GLN  59   6.159  35.576   0.920
  460   HE21  GLN  59          HE21      GLN  59   7.973  34.517   3.793
  461   HE22  GLN  59          HE22      GLN  59   8.734  36.076   4.094
  462    H    LYS  60           H        LYS  60   4.268  36.151   5.565
  463    HA   LYS  60           HA       LYS  60   1.827  35.335   6.626
  464    HB2  LYS  60           HB2      LYS  60   2.780  38.126   5.908
  465    HB3  LYS  60           HB3      LYS  60   1.287  37.847   6.797
  466    HG2  LYS  60           HG2      LYS  60   4.006  36.892   7.806
  467    HG3  LYS  60           HG3      LYS  60   3.349  38.491   8.125
  468    HD2  LYS  60           HD2      LYS  60   2.901  37.268  10.053
  469    HD3  LYS  60           HD3      LYS  60   1.345  37.414   9.224
  470    HE2  LYS  60           HE2      LYS  60   1.528  35.094   8.435
  471    HE3  LYS  60           HE3      LYS  60   3.178  34.980   9.081
  472    HZ1  LYS  60           HZ1      LYS  60   0.737  35.320  10.715
  473    HZ2  LYS  60           HZ2      LYS  60   1.521  33.907  10.455
  474    HZ3  LYS  60           HZ3      LYS  60   2.258  35.111  11.290
  475    H    LEU  61           H        LEU  61  -0.255  35.455   6.122
  476    HA   LEU  61           HA       LEU  61  -0.844  35.370   3.242
  477    HB2  LEU  61           HB2      LEU  61  -2.021  33.482   3.699
  478    HB3  LEU  61           HB3      LEU  61  -0.831  33.375   4.960
  479    HG   LEU  61           HG       LEU  61  -3.547  34.565   5.639
  480   HD11  LEU  61          HD11      LEU  61  -4.154  32.291   6.238
  481   HD12  LEU  61          HD12      LEU  61  -3.919  32.533   4.515
  482   HD13  LEU  61          HD13      LEU  61  -2.648  31.678   5.422
  483   HD21  LEU  61          HD21      LEU  61  -1.848  34.946   7.317
  484   HD22  LEU  61          HD22      LEU  61  -2.853  33.596   7.861
  485   HD23  LEU  61          HD23      LEU  61  -1.250  33.280   7.159
  486    H    GLY  62           H        GLY  62  -3.455  35.236   3.077
  487    HA2  GLY  62           HA2      GLY  62  -5.438  36.164   4.067
  488    HA3  GLY  62           HA3      GLY  62  -4.601  37.688   4.351
  489    H    GLU  63           H        GLU  63  -3.774  36.256   1.320
  490    HA   GLU  63           HA       GLU  63  -4.736  38.633  -0.004
  491    HB2  GLU  63           HB2      GLU  63  -3.440  36.083  -1.067
  492    HB3  GLU  63           HB3      GLU  63  -3.743  37.527  -2.027
  493    HG2  GLU  63           HG2      GLU  63  -1.911  37.368   0.410
  494    HG3  GLU  63           HG3      GLU  63  -1.405  37.401  -1.271
  495    H    ASP  64           H        ASP  64  -5.808  35.236   0.124
  496    HA   ASP  64           HA       ASP  64  -8.401  35.977  -1.091
  497    HB2  ASP  64           HB2      ASP  64  -6.781  35.459  -2.972
  498    HB3  ASP  64           HB3      ASP  64  -6.595  33.842  -2.310
  499    H    GLU  65           H        GLU  65  -6.986  34.619   1.459
  500    HA   GLU  65           HA       GLU  65  -8.943  32.464   1.880
  501    HB2  GLU  65           HB2      GLU  65  -7.342  30.734   2.101
  502    HB3  GLU  65           HB3      GLU  65  -7.037  31.450   0.526
  503    HG2  GLU  65           HG2      GLU  65  -5.467  31.899   3.078
  504    HG3  GLU  65           HG3      GLU  65  -5.008  30.880   1.724
  505    H    SER  66           H        SER  66  -8.722  31.611   4.122
  506    HA   SER  66           HA       SER  66  -6.769  32.753   5.916
  507    HB2  SER  66           HB2      SER  66  -8.654  33.441   7.550
  508    HB3  SER  66           HB3      SER  66  -8.175  34.573   6.276
  509    HG   SER  66           HG       SER  66 -10.455  34.410   6.461
  510    H    ILE  67           H        ILE  67  -6.552  31.409   7.739
  511    HA   ILE  67           HA       ILE  67  -8.126  28.895   7.679
  512    HB   ILE  67           HB       ILE  67  -6.255  28.384   9.453
  513   HG12  ILE  67          HG12      ILE  67  -4.890  30.507   8.944
  514   HG13  ILE  67          HG13      ILE  67  -4.079  28.985   9.002
  515   HG21  ILE  67          HG21      ILE  67  -6.719  26.853   7.826
  516   HG22  ILE  67          HG22      ILE  67  -5.916  27.886   6.571
  517   HG23  ILE  67          HG23      ILE  67  -4.988  27.143   7.940
  518   HD11  ILE  67          HD11      ILE  67  -3.384  30.462   7.171
  519   HD12  ILE  67          HD12      ILE  67  -3.830  28.837   6.657
  520   HD13  ILE  67          HD13      ILE  67  -4.973  30.182   6.404
  521    HA   PRO  68           HA       PRO  68  -9.780  30.820  11.530
  522    HB2  PRO  68           HB2      PRO  68 -11.605  28.884  12.209
  523    HB3  PRO  68           HB3      PRO  68 -11.911  30.145  10.981
  524    HG2  PRO  68           HG2      PRO  68 -11.016  27.282  10.540
  525    HG3  PRO  68           HG3      PRO  68 -12.293  28.200   9.675
  526    HD2  PRO  68           HD2      PRO  68  -9.780  27.919   8.659
  527    HD3  PRO  68           HD3      PRO  68 -10.711  29.420   8.425
  528    H    GLU  69           H        GLU  69  -9.414  30.369  13.749
  529    HA   GLU  69           HA       GLU  69  -7.128  28.947  14.378
  530    HB2  GLU  69           HB2      GLU  69  -9.350  29.739  16.270
  531    HB3  GLU  69           HB3      GLU  69  -7.705  29.254  16.721
  532    HG2  GLU  69           HG2      GLU  69  -6.782  31.159  15.408
  533    HG3  GLU  69           HG3      GLU  69  -8.428  31.689  15.033
  534    H    GLU  70           H        GLU  70 -10.356  27.749  14.095
  535    HA   GLU  70           HA       GLU  70 -10.377  25.430  15.688
  536    HB2  GLU  70           HB2      GLU  70 -11.666  25.990  12.971
  537    HB3  GLU  70           HB3      GLU  70 -12.090  24.643  14.021
  538    HG2  GLU  70           HG2      GLU  70 -12.425  27.596  14.710
  539    HG3  GLU  70           HG3      GLU  70 -13.699  26.500  14.207
  540    H    ILE  71           H        ILE  71  -8.945  25.957  12.442
  541    HA   ILE  71           HA       ILE  71  -8.169  23.071  12.363
  542    HB   ILE  71           HB       ILE  71  -7.834  23.375   9.979
  543   HG12  ILE  71          HG12      ILE  71  -9.028  26.160  10.280
  544   HG13  ILE  71          HG13      ILE  71  -7.375  25.791   9.802
  545   HG21  ILE  71          HG21      ILE  71 -10.013  22.634  11.024
  546   HG22  ILE  71          HG22      ILE  71 -10.609  24.303  10.762
  547   HG23  ILE  71          HG23      ILE  71 -10.137  23.285   9.387
  548   HD11  ILE  71          HD11      ILE  71  -9.923  25.127   8.239
  549   HD12  ILE  71          HD12      ILE  71  -8.727  26.317   7.799
  550   HD13  ILE  71          HD13      ILE  71  -8.285  24.594   7.769
  551    H    ILE  72           H        ILE  72  -6.884  26.296  12.593
  552    HA   ILE  72           HA       ILE  72  -4.491  26.208  11.381
  553    HB   ILE  72           HB       ILE  72  -5.863  27.648  13.556
  554   HG12  ILE  72          HG12      ILE  72  -4.355  28.155  11.019
  555   HG13  ILE  72          HG13      ILE  72  -6.087  28.217  11.419
  556   HG21  ILE  72          HG21      ILE  72  -4.157  29.050  14.374
  557   HG22  ILE  72          HG22      ILE  72  -3.918  27.396  14.886
  558   HG23  ILE  72          HG23      ILE  72  -2.893  28.067  13.566
  559   HD11  ILE  72          HD11      ILE  72  -5.158  30.335  10.996
  560   HD12  ILE  72          HD12      ILE  72  -5.704  30.200  12.709
  561   HD13  ILE  72          HD13      ILE  72  -3.954  30.117  12.278
  562    H    ASN  73           H        ASN  73  -5.191  24.939  14.471
  563    HA   ASN  73           HA       ASN  73  -2.597  24.646  15.601
  564    HB2  ASN  73           HB2      ASN  73  -3.884  23.312  17.235
  565    HB3  ASN  73           HB3      ASN  73  -4.636  24.876  16.862
  566   HD21  ASN  73          HD21      ASN  73  -6.775  24.912  15.965
  567   HD22  ASN  73          HD22      ASN  73  -7.614  23.470  15.490
  568    H    GLY  74           H        GLY  74  -3.679  23.155  12.976
  569    HA2  GLY  74           HA2      GLY  74  -1.796  20.902  13.228
  570    HA3  GLY  74           HA3      GLY  74  -3.455  20.464  12.766
  571    H    LYS  75           H        LYS  75  -1.803  19.838  11.137
  572    HA   LYS  75           HA       LYS  75  -0.961  21.601   9.079
  573    HB2  LYS  75           HB2      LYS  75  -1.574  18.642   9.333
  574    HB3  LYS  75           HB3      LYS  75  -1.495  19.335   7.726
  575    HG2  LYS  75           HG2      LYS  75   0.697  19.466   9.810
  576    HG3  LYS  75           HG3      LYS  75   0.648  18.396   8.359
  577    HD2  LYS  75           HD2      LYS  75   0.296  20.740   7.116
  578    HD3  LYS  75           HD3      LYS  75   1.160  21.353   8.538
  579    HE2  LYS  75           HE2      LYS  75   2.122  19.287   6.544
  580    HE3  LYS  75           HE3      LYS  75   2.602  20.988   6.637
  581    HZ1  LYS  75           HZ1      LYS  75   3.145  18.961   8.742
  582    HZ2  LYS  75           HZ2      LYS  75   4.253  19.581   7.699
  583    HZ3  LYS  75           HZ3      LYS  75   3.567  20.545   8.828
  584    H    CYS  76           H        CYS  76  -2.006  22.546   7.444
  585    HA   CYS  76           HA       CYS  76  -4.905  21.917   7.107
  586    HB2  CYS  76           HB2      CYS  76  -3.692  24.707   7.231
  587    HB3  CYS  76           HB3      CYS  76  -5.317  24.346   6.665
  588    HG   CYS  76           HG       CYS  76  -4.016  23.585   9.638
  589    H    PHE  77           H        PHE  77  -5.624  22.038   5.045
  590    HA   PHE  77           HA       PHE  77  -3.601  22.539   2.898
  591    HB2  PHE  77           HB2      PHE  77  -5.657  20.296   3.029
  592    HB3  PHE  77           HB3      PHE  77  -4.468  20.595   1.770
  593    HD1  PHE  77           HD1      PHE  77  -1.999  20.495   2.424
  594    HD2  PHE  77           HD2      PHE  77  -5.105  19.159   5.015
  595    HE1  PHE  77           HE1      PHE  77  -0.262  19.495   3.892
  596    HE2  PHE  77           HE2      PHE  77  -3.434  18.120   6.487
  597    HZ   PHE  77           HZ       PHE  77  -0.993  18.209   5.901
  598    H    PHE  78           H        PHE  78  -4.276  24.131   1.715
  599    HA   PHE  78           HA       PHE  78  -7.039  24.977   1.269
  600    HB2  PHE  78           HB2      PHE  78  -5.000  26.490   1.191
  601    HB3  PHE  78           HB3      PHE  78  -4.530  25.618  -0.266
  602    HD1  PHE  78           HD1      PHE  78  -7.245  27.688   1.245
  603    HD2  PHE  78           HD2      PHE  78  -5.433  26.218  -2.386
  604    HE1  PHE  78           HE1      PHE  78  -8.651  29.245  -0.102
  605    HE2  PHE  78           HE2      PHE  78  -6.820  27.793  -3.714
  606    HZ   PHE  78           HZ       PHE  78  -8.387  29.344  -2.560
  607    H    ILE  79           H        ILE  79  -8.274  23.667   0.121
  608    HA   ILE  79           HA       ILE  79  -7.041  21.894  -1.914
  609    HB   ILE  79           HB       ILE  79  -8.928  20.300  -1.152
  610   HG12  ILE  79          HG12      ILE  79  -8.939  21.859   1.417
  611   HG13  ILE  79          HG13      ILE  79 -10.005  22.324   0.110
  612   HG21  ILE  79          HG21      ILE  79  -7.494  20.037   1.219
  613   HG22  ILE  79          HG22      ILE  79  -7.059  19.299  -0.336
  614   HG23  ILE  79          HG23      ILE  79  -6.337  20.834   0.197
  615   HD11  ILE  79          HD11      ILE  79 -11.141  20.249   0.075
  616   HD12  ILE  79          HD12      ILE  79 -10.163  19.687   1.472
  617   HD13  ILE  79          HD13      ILE  79 -11.230  21.123   1.612
  618    H    HIS  80           H        HIS  80  -8.197  21.510  -3.819
  619    HA   HIS  80           HA       HIS  80 -10.580  23.231  -4.277
  620    HB2  HIS  80           HB2      HIS  80  -8.876  22.759  -6.077
  621    HB3  HIS  80           HB3      HIS  80  -9.461  21.081  -6.074
  622    HD2  HIS  80           HD2      HIS  80 -10.463  24.615  -7.103
  623    HE1  HIS  80           HE1      HIS  80 -13.562  22.045  -8.518
  624    HE2  HIS  80           HE2      HIS  80 -12.644  24.409  -8.607
  625    H    TYR  81           H        TYR  81 -12.567  22.423  -3.741
  626    HA   TYR  81           HA       TYR  81 -12.788  19.596  -2.920
  627    HB2  TYR  81           HB2      TYR  81 -14.705  21.869  -2.630
  628    HB3  TYR  81           HB3      TYR  81 -15.301  20.220  -2.732
  629    HD1  TYR  81           HD1      TYR  81 -14.569  18.430  -1.091
  630    HD2  TYR  81           HD2      TYR  81 -13.741  22.627  -0.475
  631    HE1  TYR  81           HE1      TYR  81 -14.575  18.059   1.328
  632    HE2  TYR  81           HE2      TYR  81 -13.740  22.250   1.977
  633    HH   TYR  81           HH       TYR  81 -14.437  19.034   3.439
  634    H    GLN  82           H        GLN  82 -12.784  18.297  -4.657
  635    HA   GLN  82           HA       GLN  82 -13.550  19.303  -7.294
  636    HB2  GLN  82           HB2      GLN  82 -12.845  16.426  -6.698
  637    HB3  GLN  82           HB3      GLN  82 -12.697  17.307  -8.204
  638    HG2  GLN  82           HG2      GLN  82 -10.862  18.674  -7.237
  639    HG3  GLN  82           HG3      GLN  82 -11.044  17.817  -5.700
  640   HE21  GLN  82          HE21      GLN  82  -9.659  16.188  -5.357
  641   HE22  GLN  82          HE22      GLN  82  -8.909  15.220  -6.613
  642    H    GLY  83           H        GLY  83 -15.149  18.221  -8.656
  643    HA2  GLY  83           HA2      GLY  83 -17.293  17.464  -9.046
  644    HA3  GLY  83           HA3      GLY  83 -17.290  16.655  -7.466
  645    H    TRP  84           H        TRP  84 -16.373  19.862  -6.887
  646    HA   TRP  84           HA       TRP  84 -19.161  20.848  -6.703
  647    HB2  TRP  84           HB2      TRP  84 -17.172  20.852  -4.385
  648    HB3  TRP  84           HB3      TRP  84 -18.780  21.603  -4.420
  649    HD1  TRP  84           HD1      TRP  84 -17.228  18.473  -3.307
  650    HE1  TRP  84           HE1      TRP  84 -19.091  16.859  -2.566
  651    HE3  TRP  84           HE3      TRP  84 -21.185  20.775  -5.531
  652    HZ2  TRP  84           HZ2      TRP  84 -21.937  16.747  -2.735
  653    HZ3  TRP  84           HZ3      TRP  84 -23.512  19.896  -5.232
  654    HH2  TRP  84           HH2      TRP  84 -23.903  17.892  -3.810
  655    H    LYS  85           H        LYS  85 -19.033  23.263  -5.962
  656    HA   LYS  85           HA       LYS  85 -17.956  24.504  -8.285
  657    HB2  LYS  85           HB2      LYS  85 -18.856  25.808  -5.667
  658    HB3  LYS  85           HB3      LYS  85 -18.662  26.634  -7.200
  659    HG2  LYS  85           HG2      LYS  85 -20.723  24.493  -6.526
  660    HG3  LYS  85           HG3      LYS  85 -21.022  26.212  -6.728
  661    HD2  LYS  85           HD2      LYS  85 -20.157  24.287  -8.935
  662    HD3  LYS  85           HD3      LYS  85 -21.785  24.930  -8.667
  663    HE2  LYS  85           HE2      LYS  85 -20.920  27.253  -9.016
  664    HE3  LYS  85           HE3      LYS  85 -19.323  26.581  -9.379
  665    HZ1  LYS  85           HZ1      LYS  85 -21.787  26.045 -10.933
  666    HZ2  LYS  85           HZ2      LYS  85 -20.568  27.030 -11.388
  667    HZ3  LYS  85           HZ3      LYS  85 -20.307  25.425 -11.265
  668    H    SER  86           H        SER  86 -16.048  25.623  -8.666
  669    HA   SER  86           HA       SER  86 -13.841  25.373  -6.995
  670    HB2  SER  86           HB2      SER  86 -14.359  27.531  -9.084
  671    HB3  SER  86           HB3      SER  86 -12.771  27.009  -8.479
  672    HG   SER  86           HG       SER  86 -13.472  26.008 -10.504
  673    H    SER  87           H        SER  87 -16.497  27.607  -6.528
  674    HA   SER  87           HA       SER  87 -15.255  29.605  -4.993
  675    HB2  SER  87           HB2      SER  87 -17.905  28.295  -4.318
  676    HB3  SER  87           HB3      SER  87 -17.426  29.988  -4.111
  677    HG   SER  87           HG       SER  87 -18.762  29.767  -5.932
  678    H    TRP  88           H        TRP  88 -15.612  26.180  -4.341
  679    HA   TRP  88           HA       TRP  88 -15.152  26.388  -1.465
  680    HB2  TRP  88           HB2      TRP  88 -15.532  24.027  -3.355
  681    HB3  TRP  88           HB3      TRP  88 -15.241  23.898  -1.640
  682    HD1  TRP  88           HD1      TRP  88 -17.914  26.045  -3.476
  683    HE1  TRP  88           HE1      TRP  88 -20.127  25.644  -2.314
  684    HE3  TRP  88           HE3      TRP  88 -16.373  22.617  -0.023
  685    HZ2  TRP  88           HZ2      TRP  88 -21.214  23.758  -0.367
  686    HZ3  TRP  88           HZ3      TRP  88 -18.030  21.480   1.443
  687    HH2  TRP  88           HH2      TRP  88 -20.451  22.046   1.289
  688    H    ASP  89           H        ASP  89 -13.006  27.210  -3.637
  689    HA   ASP  89           HA       ASP  89 -10.788  25.399  -3.046
  690    HB2  ASP  89           HB2      ASP  89 -11.083  28.108  -4.370
  691    HB3  ASP  89           HB3      ASP  89  -9.521  27.608  -3.737
  692    H    GLU  90           H        GLU  90 -10.834  25.140  -0.812
  693    HA   GLU  90           HA       GLU  90 -10.533  27.528   0.940
  694    HB2  GLU  90           HB2      GLU  90 -12.955  26.671   0.648
  695    HB3  GLU  90           HB3      GLU  90 -12.384  25.096   1.237
  696    HG2  GLU  90           HG2      GLU  90 -13.592  26.422   2.934
  697    HG3  GLU  90           HG3      GLU  90 -11.980  25.963   3.427
  698    H    TRP  91           H        TRP  91  -9.334  27.004   2.964
  699    HA   TRP  91           HA       TRP  91  -8.050  24.401   2.870
  700    HB2  TRP  91           HB2      TRP  91  -7.706  25.711   5.442
  701    HB3  TRP  91           HB3      TRP  91  -6.562  24.961   4.364
  702    HD1  TRP  91           HD1      TRP  91  -8.497  28.281   4.606
  703    HE1  TRP  91           HE1      TRP  91  -6.829  30.170   4.470
  704    HE3  TRP  91           HE3      TRP  91  -4.216  25.580   3.706
  705    HZ2  TRP  91           HZ2      TRP  91  -4.029  30.516   3.741
  706    HZ3  TRP  91           HZ3      TRP  91  -2.096  26.763   3.184
  707    HH2  TRP  91           HH2      TRP  91  -2.077  29.280   3.075
  708    H    VAL  92           H        VAL  92  -8.058  22.807   4.333
  709    HA   VAL  92           HA       VAL  92 -10.060  22.879   6.536
  710    HB   VAL  92           HB       VAL  92 -10.456  20.394   6.152
  711   HG11  VAL  92          HG11      VAL  92 -11.482  22.217   3.959
  712   HG12  VAL  92          HG12      VAL  92 -12.170  20.668   4.507
  713   HG13  VAL  92          HG13      VAL  92 -12.172  22.084   5.594
  714   HG21  VAL  92          HG21      VAL  92  -8.641  19.987   4.589
  715   HG22  VAL  92          HG22      VAL  92 -10.229  19.481   3.952
  716   HG23  VAL  92          HG23      VAL  92  -9.439  20.972   3.374
  717    H    GLY  93           H        GLY  93  -9.482  21.453   8.273
  718    HA2  GLY  93           HA2      GLY  93  -6.552  21.070   8.531
  719    HA3  GLY  93           HA3      GLY  93  -7.741  21.047   9.837
  720    H    TYR  94           H        TYR  94  -5.965  19.057   9.674
  721    HA   TYR  94           HA       TYR  94  -6.733  16.728   8.296
  722    HB2  TYR  94           HB2      TYR  94  -4.767  17.564  10.113
  723    HB3  TYR  94           HB3      TYR  94  -5.549  16.176  10.903
  724    HD1  TYR  94           HD1      TYR  94  -6.099  14.212   9.189
  725    HD2  TYR  94           HD2      TYR  94  -3.085  17.216   8.609
  726    HE1  TYR  94           HE1      TYR  94  -5.213  12.926   7.265
  727    HE2  TYR  94           HE2      TYR  94  -2.186  15.936   6.670
  728    HH   TYR  94           HH       TYR  94  -2.470  14.029   5.282
  729    H    ASP  95           H        ASP  95  -8.151  18.197  11.041
  730    HA   ASP  95           HA       ASP  95  -9.686  16.097  12.139
  731    HB2  ASP  95           HB2      ASP  95  -9.478  18.331  13.157
  732    HB3  ASP  95           HB3      ASP  95 -10.364  19.048  11.802
  733    H    ARG  96           H        ARG  96 -10.014  17.674   9.045
  734    HA   ARG  96           HA       ARG  96 -12.536  16.123   8.542
  735    HB2  ARG  96           HB2      ARG  96 -11.508  18.707   7.319
  736    HB3  ARG  96           HB3      ARG  96 -12.786  17.732   6.593
  737    HG2  ARG  96           HG2      ARG  96 -14.240  18.051   8.533
  738    HG3  ARG  96           HG3      ARG  96 -12.963  18.982   9.369
  739    HD2  ARG  96           HD2      ARG  96 -12.997  20.697   7.662
  740    HD3  ARG  96           HD3      ARG  96 -14.038  19.745   6.619
  741    HE   ARG  96           HE       ARG  96 -14.796  21.251   9.050
  742   HH11  ARG  96          HH11      ARG  96 -15.962  18.944   6.586
  743   HH12  ARG  96          HH12      ARG  96 -17.480  19.726   6.374
  744   HH21  ARG  96          HH21      ARG  96 -16.952  22.083   8.997
  745   HH22  ARG  96          HH22      ARG  96 -18.132  21.387   7.946
  746    H    ILE  97           H        ILE  97  -9.305  17.088   7.144
  747    HA   ILE  97           HA       ILE  97  -9.964  15.360   4.866
  748    HB   ILE  97           HB       ILE  97  -9.249  17.696   4.720
  749   HG12  ILE  97          HG12      ILE  97  -7.567  15.750   3.138
  750   HG13  ILE  97          HG13      ILE  97  -9.171  16.326   2.715
  751   HG21  ILE  97          HG21      ILE  97  -6.339  16.964   4.843
  752   HG22  ILE  97          HG22      ILE  97  -7.246  18.509   5.051
  753   HG23  ILE  97          HG23      ILE  97  -7.196  17.338   6.375
  754   HD11  ILE  97          HD11      ILE  97  -6.539  17.842   2.730
  755   HD12  ILE  97          HD12      ILE  97  -7.749  17.737   1.450
  756   HD13  ILE  97          HD13      ILE  97  -8.092  18.702   2.873
  757    H    ARG  98           H        ARG  98  -8.605  13.939   3.892
  758    HA   ARG  98           HA       ARG  98  -6.145  13.004   5.235
  759    HB2  ARG  98           HB2      ARG  98  -8.314  11.130   4.409
  760    HB3  ARG  98           HB3      ARG  98  -6.640  10.743   4.889
  761    HG2  ARG  98           HG2      ARG  98  -7.105  11.569   7.193
  762    HG3  ARG  98           HG3      ARG  98  -8.791  11.964   6.713
  763    HD2  ARG  98           HD2      ARG  98  -9.102   9.691   5.938
  764    HD3  ARG  98           HD3      ARG  98  -7.443   9.271   6.427
  765    HE   ARG  98           HE       ARG  98  -8.653  10.181   8.748
  766   HH11  ARG  98          HH11      ARG  98  -9.435   7.661   6.352
  767   HH12  ARG  98          HH12      ARG  98 -10.261   6.646   7.480
  768   HH21  ARG  98          HH21      ARG  98  -9.744   8.813  10.260
  769   HH22  ARG  98          HH22      ARG  98 -10.415   7.302   9.756
  770    H    ALA  99           H        ALA  99  -4.769  12.006   3.663
  771    HA   ALA  99           HA       ALA  99  -4.980  12.927   0.962
  772    HB1  ALA  99           HB1      ALA  99  -2.812  12.105   0.734
  773    HB2  ALA  99           HB2      ALA  99  -2.955  12.611   2.429
  774    HB3  ALA  99           HB3      ALA  99  -3.119  10.873   2.081
  775    H    TYR 100           H        TYR 100  -4.503  11.577  -0.892
  776    HA   TYR 100           HA       TYR 100  -6.727   9.772  -1.157
  777    HB2  TYR 100           HB2      TYR 100  -4.997  11.161  -2.948
  778    HB3  TYR 100           HB3      TYR 100  -4.847   9.473  -3.334
  779    HD1  TYR 100           HD1      TYR 100  -7.855  11.503  -2.236
  780    HD2  TYR 100           HD2      TYR 100  -6.054   9.053  -5.281
  781    HE1  TYR 100           HE1      TYR 100  -9.923  11.628  -3.584
  782    HE2  TYR 100           HE2      TYR 100  -8.114   9.163  -6.618
  783    HH   TYR 100           HH       TYR 100 -10.292  10.003  -6.762
  784    H    ASN 101           H        ASN 101  -6.848   7.747  -0.462
  785    HA   ASN 101           HA       ASN 101  -4.989   5.785  -1.361
  786    HB2  ASN 101           HB2      ASN 101  -3.894   5.088   0.586
  787    HB3  ASN 101           HB3      ASN 101  -3.747   6.834   0.641
  788   HD21  ASN 101          HD21      ASN 101  -4.978   8.053   2.158
  789   HD22  ASN 101          HD22      ASN 101  -5.504   7.240   3.618
  790    H    GLU 102           H        GLU 102  -5.373   3.640  -0.350
  791    HA   GLU 102           HA       GLU 102  -7.840   2.663  -0.991
  792    HB2  GLU 102           HB2      GLU 102  -5.883   1.658   1.150
  793    HB3  GLU 102           HB3      GLU 102  -7.114   0.653   0.406
  794    HG2  GLU 102           HG2      GLU 102  -4.763   1.901  -1.097
  795    HG3  GLU 102           HG3      GLU 102  -4.845   0.241  -0.535
  796    H    GLU 103           H        GLU 103  -6.823   3.700   2.277
  797    HA   GLU 103           HA       GLU 103  -9.095   2.439   3.549
  798    HB2  GLU 103           HB2      GLU 103  -7.153   4.552   4.552
  799    HB3  GLU 103           HB3      GLU 103  -8.193   3.493   5.554
  800    HG2  GLU 103           HG2      GLU 103  -6.989   1.559   4.324
  801    HG3  GLU 103           HG3      GLU 103  -5.817   2.809   3.825
  802    H    ASN 104           H        ASN 104  -8.568   5.428   1.879
  803    HA   ASN 104           HA       ASN 104 -10.879   6.728   3.230
  804    HB2  ASN 104           HB2      ASN 104  -8.829   7.851   1.302
  805    HB3  ASN 104           HB3      ASN 104 -10.169   8.743   2.031
  806   HD21  ASN 104          HD21      ASN 104  -7.275   9.238   2.306
  807   HD22  ASN 104          HD22      ASN 104  -6.912   9.070   3.999
  808    H    ILE 105           H        ILE 105  -9.796   5.059   0.381
  809    HA   ILE 105           HA       ILE 105 -12.218   5.542  -1.159
  810    HB   ILE 105           HB       ILE 105  -9.759   3.829  -1.177
  811   HG12  ILE 105          HG12      ILE 105  -9.105   5.098  -2.932
  812   HG13  ILE 105          HG13      ILE 105 -10.757   5.315  -3.554
  813   HG21  ILE 105          HG21      ILE 105 -12.202   3.410  -2.857
  814   HG22  ILE 105          HG22      ILE 105 -10.570   2.789  -3.289
  815   HG23  ILE 105          HG23      ILE 105 -11.353   2.259  -1.790
  816   HD11  ILE 105          HD11      ILE 105 -11.119   7.218  -2.033
  817   HD12  ILE 105          HD12      ILE 105  -9.517   6.958  -1.313
  818   HD13  ILE 105          HD13      ILE 105  -9.641   7.452  -3.000
  819    H    ALA 106           H        ALA 106 -11.096   3.342   1.410
  820    HA   ALA 106           HA       ALA 106 -13.337   1.561   1.245
  821    HB1  ALA 106           HB1      ALA 106 -12.476   0.724   3.382
  822    HB2  ALA 106           HB2      ALA 106 -11.095   1.059   2.300
  823    HB3  ALA 106           HB3      ALA 106 -11.476   2.172   3.611
  824    H    MET 107           H        MET 107 -12.560   4.475   3.234
  825    HA   MET 107           HA       MET 107 -15.197   4.662   4.349
  826    HB2  MET 107           HB2      MET 107 -14.525   6.547   5.410
  827    HB3  MET 107           HB3      MET 107 -12.932   5.955   4.896
  828    HG2  MET 107           HG2      MET 107 -13.500   7.588   2.843
  829    HG3  MET 107           HG3      MET 107 -14.536   8.325   4.047
  830    HE1  MET 107           HE1      MET 107 -12.752  10.719   3.891
  831    HE2  MET 107           HE2      MET 107 -11.125  10.269   3.366
  832    HE3  MET 107           HE3      MET 107 -12.533   9.598   2.482
  833    H    LYS 108           H        LYS 108 -13.843   6.011   1.257
  834    HA   LYS 108           HA       LYS 108 -16.029   7.444   0.445
  835    HB2  LYS 108           HB2      LYS 108 -13.985   7.345  -0.989
  836    HB3  LYS 108           HB3      LYS 108 -14.306   5.674  -1.339
  837    HG2  LYS 108           HG2      LYS 108 -14.923   6.925  -3.251
  838    HG3  LYS 108           HG3      LYS 108 -16.317   6.134  -2.581
  839    HD2  LYS 108           HD2      LYS 108 -17.342   8.132  -2.943
  840    HD3  LYS 108           HD3      LYS 108 -16.665   8.588  -1.397
  841    HE2  LYS 108           HE2      LYS 108 -15.957  10.342  -2.777
  842    HE3  LYS 108           HE3      LYS 108 -14.532   9.283  -2.833
  843    HZ1  LYS 108           HZ1      LYS 108 -16.667   9.421  -4.889
  844    HZ2  LYS 108           HZ2      LYS 108 -15.198  10.126  -4.997
  845    HZ3  LYS 108           HZ3      LYS 108 -15.313   8.483  -4.973
  846    H    LYS 109           H        LYS 109 -15.384   3.988  -0.460
  847    HA   LYS 109           HA       LYS 109 -17.902   3.682  -1.701
  848    HB2  LYS 109           HB2      LYS 109 -17.353   1.368  -1.957
  849    HB3  LYS 109           HB3      LYS 109 -15.862   2.314  -2.114
  850    HG2  LYS 109           HG2      LYS 109 -15.314   1.675   0.238
  851    HG3  LYS 109           HG3      LYS 109 -16.703   0.572   0.202
  852    HD2  LYS 109           HD2      LYS 109 -15.763  -0.501  -1.858
  853    HD3  LYS 109           HD3      LYS 109 -14.354   0.606  -1.791
  854    HE2  LYS 109           HE2      LYS 109 -13.739  -0.206   0.368
  855    HE3  LYS 109           HE3      LYS 109 -15.197  -1.219   0.457
  856    HZ1  LYS 109           HZ1      LYS 109 -13.230  -2.517  -0.161
  857    HZ2  LYS 109           HZ2      LYS 109 -14.313  -2.543  -1.375
  858    HZ3  LYS 109           HZ3      LYS 109 -12.981  -1.600  -1.485
  859    H    ARG 110           H        ARG 110 -16.974   2.970   1.695
  860    HA   ARG 110           HA       ARG 110 -19.436   1.693   2.368
  861    HB2  ARG 110           HB2      ARG 110 -17.388   1.569   3.714
  862    HB3  ARG 110           HB3      ARG 110 -17.466   3.282   4.093
  863    HG2  ARG 110           HG2      ARG 110 -19.773   1.441   4.797
  864    HG3  ARG 110           HG3      ARG 110 -18.316   1.455   5.795
  865    HD2  ARG 110           HD2      ARG 110 -18.550   3.754   6.352
  866    HD3  ARG 110           HD3      ARG 110 -19.840   4.018   5.198
  867    HE   ARG 110           HE       ARG 110 -20.028   2.855   7.852
  868   HH11  ARG 110          HH11      ARG 110 -21.729   3.101   4.702
  869   HH12  ARG 110          HH12      ARG 110 -23.282   2.790   5.394
  870   HH21  ARG 110          HH21      ARG 110 -22.104   2.421   8.721
  871   HH22  ARG 110          HH22      ARG 110 -23.500   2.400   7.708
  872    H    LEU 111           H        LEU 111 -18.540   5.200   2.279
  873    HA   LEU 111           HA       LEU 111 -21.145   6.012   3.349
  874    HB2  LEU 111           HB2      LEU 111 -19.095   7.540   1.727
  875    HB3  LEU 111           HB3      LEU 111 -20.498   8.188   2.579
  876    HG   LEU 111           HG       LEU 111 -18.420   6.736   4.190
  877   HD11  LEU 111          HD11      LEU 111 -17.277   8.336   2.657
  878   HD12  LEU 111          HD12      LEU 111 -18.241   9.657   3.318
  879   HD13  LEU 111          HD13      LEU 111 -17.098   8.757   4.361
  880   HD21  LEU 111          HD21      LEU 111 -20.376   9.015   4.708
  881   HD22  LEU 111          HD22      LEU 111 -20.510   7.340   5.272
  882   HD23  LEU 111          HD23      LEU 111 -19.206   8.371   5.899
  883    H    ALA 112           H        ALA 112 -19.646   5.783   0.117
  884    HA   ALA 112           HA       ALA 112 -21.763   6.891  -1.346
  885    HB1  ALA 112           HB1      ALA 112 -19.525   6.528  -2.266
  886    HB2  ALA 112           HB2      ALA 112 -19.804   4.761  -2.266
  887    HB3  ALA 112           HB3      ALA 112 -20.775   5.820  -3.308
  888    H    ASN 113           H        ASN 113 -21.782   3.845   0.304
  889    HA   ASN 113           HA       ASN 113 -23.915   2.606  -1.246
  890    HB2  ASN 113           HB2      ASN 113 -22.748   2.199   1.517
  891    HB3  ASN 113           HB3      ASN 113 -24.337   1.551   1.182
  892   HD21  ASN 113          HD21      ASN 113 -21.026   1.627  -0.296
  893   HD22  ASN 113          HD22      ASN 113 -21.128  -0.004  -0.926
  894    H    LEU 114           H        LEU 114 -23.746   5.130   1.199
  895    HA   LEU 114           HA       LEU 114 -26.589   5.283   1.777
  896    HB2  LEU 114           HB2      LEU 114 -24.658   5.927   3.281
  897    HB3  LEU 114           HB3      LEU 114 -24.428   7.359   2.286
  898    HG   LEU 114           HG       LEU 114 -27.122   6.813   3.535
  899   HD11  LEU 114          HD11      LEU 114 -26.382   8.122   5.505
  900   HD12  LEU 114          HD12      LEU 114 -25.471   6.611   5.345
  901   HD13  LEU 114          HD13      LEU 114 -24.719   8.150   4.866
  902   HD21  LEU 114          HD21      LEU 114 -27.015   8.712   1.945
  903   HD22  LEU 114          HD22      LEU 114 -27.226   9.302   3.587
  904   HD23  LEU 114          HD23      LEU 114 -25.623   9.379   2.812
  905    H    GLU 115           H        GLU 115 -24.245   6.955  -0.318
  906    HA   GLU 115           HA       GLU 115 -25.765   9.094  -1.227
  907    HB2  GLU 115           HB2      GLU 115 -23.356   8.795  -1.634
  908    HB3  GLU 115           HB3      GLU 115 -23.699   7.510  -2.809
  909    HG2  GLU 115           HG2      GLU 115 -24.923   9.130  -4.233
  910    HG3  GLU 115           HG3      GLU 115 -24.667  10.393  -3.031
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1   2.798   0.692  -1.039
    2    H2   MET   1           H2       MET   1   2.048   0.716  -2.509
    3    H3   MET   1           H3       MET   1   1.916   2.009  -1.510
    4    HA   MET   1           HA       MET   1  -0.099   0.880  -1.444
    5    HB2  MET   1           HB2      MET   1   0.759  -1.305  -2.208
    6    HB3  MET   1           HB3      MET   1   1.484  -1.593  -0.619
    7    HG2  MET   1           HG2      MET   1  -0.771  -1.497   0.415
    8    HG3  MET   1           HG3      MET   1  -1.484  -1.120  -1.160
    9    HE1  MET   1           HE1      MET   1  -3.259  -3.043  -0.821
   10    HE2  MET   1           HE2      MET   1  -2.835  -4.720  -0.419
   11    HE3  MET   1           HE3      MET   1  -2.536  -3.425   0.761
   12    H    VAL   2           H        VAL   2  -0.411   2.451   0.036
   13    HA   VAL   2           HA       VAL   2  -0.328   3.641   1.912
   14    HB   VAL   2           HB       VAL   2  -1.375   2.603   3.855
   15   HG11  VAL   2          HG11      VAL   2  -2.602   3.759   2.097
   16   HG12  VAL   2          HG12      VAL   2  -2.783   2.252   1.171
   17   HG13  VAL   2          HG13      VAL   2  -3.573   2.434   2.753
   18   HG21  VAL   2          HG21      VAL   2  -0.689   0.208   3.533
   19   HG22  VAL   2          HG22      VAL   2  -2.440   0.395   3.687
   20   HG23  VAL   2          HG23      VAL   2  -1.713   0.131   2.086
   21    H    ASP   3           H        ASP   3   1.933   3.614   1.487
   22    HA   ASP   3           HA       ASP   3   3.462   3.008   3.992
   23    HB2  ASP   3           HB2      ASP   3   4.217   1.517   2.213
   24    HB3  ASP   3           HB3      ASP   3   4.457   2.884   1.124
   25    H    LEU   4           H        LEU   4   2.766   5.199   1.327
   26    HA   LEU   4           HA       LEU   4   3.697   7.498   2.979
   27    HB2  LEU   4           HB2      LEU   4   5.477   6.997   1.341
   28    HB3  LEU   4           HB3      LEU   4   4.293   7.010   0.033
   29    HG   LEU   4           HG       LEU   4   3.896   9.423   0.348
   30   HD11  LEU   4          HD11      LEU   4   6.069   9.236   2.490
   31   HD12  LEU   4          HD12      LEU   4   5.423  10.751   1.804
   32   HD13  LEU   4          HD13      LEU   4   4.374   9.692   2.750
   33   HD21  LEU   4          HD21      LEU   4   5.638   8.622  -1.201
   34   HD22  LEU   4          HD22      LEU   4   6.057  10.191  -0.512
   35   HD23  LEU   4          HD23      LEU   4   6.851   8.723   0.098
   36    H    GLU   5           H        GLU   5   1.510   6.118   0.564
   37    HA   GLU   5           HA       GLU   5   0.368   8.455  -0.441
   38    HB2  GLU   5           HB2      GLU   5  -1.082   5.790  -0.116
   39    HB3  GLU   5           HB3      GLU   5  -1.328   7.030  -1.338
   40    HG2  GLU   5           HG2      GLU   5  -0.122   5.611  -2.610
   41    HG3  GLU   5           HG3      GLU   5   1.238   6.482  -1.920
   42    H    GLN   6           H        GLN   6  -0.288   6.813   2.606
   43    HA   GLN   6           HA       GLN   6  -2.854   7.998   3.065
   44    HB2  GLN   6           HB2      GLN   6  -2.160   5.713   3.723
   45    HB3  GLN   6           HB3      GLN   6  -0.889   6.385   4.762
   46    HG2  GLN   6           HG2      GLN   6  -2.480   7.375   6.206
   47    HG3  GLN   6           HG3      GLN   6  -3.809   7.066   5.082
   48   HE21  GLN   6          HE21      GLN   6  -4.510   4.746   4.746
   49   HE22  GLN   6          HE22      GLN   6  -4.284   3.646   6.090
   50    H    GLU   7           H        GLU   7   0.436   9.119   3.486
   51    HA   GLU   7           HA       GLU   7  -0.203  11.022   5.653
   52    HB2  GLU   7           HB2      GLU   7   2.203  10.726   3.764
   53    HB3  GLU   7           HB3      GLU   7   2.028  11.971   4.984
   54    HG2  GLU   7           HG2      GLU   7   1.823  10.229   6.762
   55    HG3  GLU   7           HG3      GLU   7   2.166   8.980   5.560
   56    H    PHE   8           H        PHE   8  -0.282  13.301   5.135
   57    HA   PHE   8           HA       PHE   8  -1.544  14.030   2.616
   58    HB2  PHE   8           HB2      PHE   8  -1.192  16.279   3.157
   59    HB3  PHE   8           HB3      PHE   8  -1.694  15.519   4.641
   60    HD1  PHE   8           HD1      PHE   8   0.186  14.984   6.419
   61    HD2  PHE   8           HD2      PHE   8   0.962  17.222   2.821
   62    HE1  PHE   8           HE1      PHE   8   2.202  15.968   7.472
   63    HE2  PHE   8           HE2      PHE   8   2.990  18.224   3.884
   64    HZ   PHE   8           HZ       PHE   8   3.603  17.601   6.213
   65    H    ALA   9           H        ALA   9  -0.622  14.706   0.779
   66    HA   ALA   9           HA       ALA   9   2.359  14.464   0.609
   67    HB1  ALA   9           HB1      ALA   9   1.240  12.459   0.022
   68    HB2  ALA   9           HB2      ALA   9   0.046  13.345  -0.964
   69    HB3  ALA   9           HB3      ALA   9   1.750  13.248  -1.520
   70    H    LEU  10           H        LEU  10   3.340  15.589  -1.063
   71    HA   LEU  10           HA       LEU  10   2.240  18.261  -1.360
   72    HB2  LEU  10           HB2      LEU  10   4.878  16.934  -1.814
   73    HB3  LEU  10           HB3      LEU  10   4.502  18.364  -2.771
   74    HG   LEU  10           HG       LEU  10   5.763  18.720  -0.573
   75   HD11  LEU  10          HD11      LEU  10   3.253  20.307  -1.256
   76   HD12  LEU  10          HD12      LEU  10   4.592  20.891  -0.224
   77   HD13  LEU  10          HD13      LEU  10   4.883  20.499  -1.922
   78   HD21  LEU  10          HD21      LEU  10   4.457  18.992   1.465
   79   HD22  LEU  10          HD22      LEU  10   2.966  18.490   0.645
   80   HD23  LEU  10          HD23      LEU  10   4.283  17.325   0.874
   81    H    GLY  11           H        GLY  11   0.514  17.843  -2.395
   82    HA2  GLY  11           HA2      GLY  11  -0.742  18.246  -4.327
   83    HA3  GLY  11           HA3      GLY  11   0.600  17.717  -5.364
   84    H    GLY  12           H        GLY  12  -0.594  15.982  -2.413
   85    HA2  GLY  12           HA2      GLY  12  -1.296  13.627  -4.024
   86    HA3  GLY  12           HA3      GLY  12  -1.504  13.855  -2.274
   87    H    ARG  13           H        ARG  13  -3.553  12.801  -3.371
   88    HA   ARG  13           HA       ARG  13  -5.571  14.940  -3.892
   89    HB2  ARG  13           HB2      ARG  13  -5.397  11.992  -4.541
   90    HB3  ARG  13           HB3      ARG  13  -6.954  12.672  -4.012
   91    HG2  ARG  13           HG2      ARG  13  -7.020  14.153  -5.882
   92    HG3  ARG  13           HG3      ARG  13  -5.399  13.630  -6.429
   93    HD2  ARG  13           HD2      ARG  13  -6.121  11.469  -6.958
   94    HD3  ARG  13           HD3      ARG  13  -7.457  11.505  -5.828
   95    HE   ARG  13           HE       ARG  13  -7.389  12.701  -8.562
   96   HH11  ARG  13          HH11      ARG  13  -9.342  11.759  -5.727
   97   HH12  ARG  13          HH12      ARG  13 -10.859  12.121  -6.490
   98   HH21  ARG  13          HH21      ARG  13  -9.444  13.122  -9.560
   99   HH22  ARG  13          HH22      ARG  13 -10.908  12.825  -8.684
  100    H    CYS  14           H        CYS  14  -7.353  14.599  -2.342
  101    HA   CYS  14           HA       CYS  14  -6.829  12.944   0.046
  102    HB2  CYS  14           HB2      CYS  14  -7.422  15.237   1.279
  103    HB3  CYS  14           HB3      CYS  14  -5.766  14.766   0.933
  104    HG   CYS  14           HG       CYS  14  -6.181  17.330   0.553
  105    H    LEU  15           H        LEU  15  -8.655  13.537   1.667
  106    HA   LEU  15           HA       LEU  15 -11.298  13.829   0.365
  107    HB2  LEU  15           HB2      LEU  15 -10.545  11.629   2.357
  108    HB3  LEU  15           HB3      LEU  15 -12.121  11.983   1.737
  109    HG   LEU  15           HG       LEU  15 -11.524  10.069   0.723
  110   HD11  LEU  15          HD11      LEU  15 -10.624  11.804  -1.573
  111   HD12  LEU  15          HD12      LEU  15 -11.711  10.421  -1.565
  112   HD13  LEU  15          HD13      LEU  15 -12.239  12.005  -0.935
  113   HD21  LEU  15          HD21      LEU  15  -9.073  10.253   1.321
  114   HD22  LEU  15          HD22      LEU  15  -9.487   9.374  -0.152
  115   HD23  LEU  15          HD23      LEU  15  -8.831  11.025  -0.251
  116    H    ALA  16           H        ALA  16 -12.659  14.929   1.825
  117    HA   ALA  16           HA       ALA  16 -11.655  15.329   4.574
  118    HB1  ALA  16           HB1      ALA  16 -10.833  17.326   3.480
  119    HB2  ALA  16           HB2      ALA  16 -12.385  17.577   2.644
  120    HB3  ALA  16           HB3      ALA  16 -12.243  17.790   4.408
  121    H    PHE  17           H        PHE  17 -13.081  15.572   6.113
  122    HA   PHE  17           HA       PHE  17 -15.777  14.580   5.473
  123    HB2  PHE  17           HB2      PHE  17 -13.721  13.932   7.400
  124    HB3  PHE  17           HB3      PHE  17 -15.149  14.457   8.277
  125    HD1  PHE  17           HD1      PHE  17 -17.426  13.311   6.841
  126    HD2  PHE  17           HD2      PHE  17 -13.464  11.681   7.414
  127    HE1  PHE  17           HE1      PHE  17 -18.321  11.085   6.692
  128    HE2  PHE  17           HE2      PHE  17 -14.410   9.394   7.278
  129    HZ   PHE  17           HZ       PHE  17 -16.841   9.076   7.006
  130    H    HIS  18           H        HIS  18 -17.582  15.528   5.830
  131    HA   HIS  18           HA       HIS  18 -17.495  18.350   6.864
  132    HB2  HIS  18           HB2      HIS  18 -19.274  16.943   4.841
  133    HB3  HIS  18           HB3      HIS  18 -19.673  18.495   5.572
  134    HD2  HIS  18           HD2      HIS  18 -16.855  16.936   3.350
  135    HE1  HIS  18           HE1      HIS  18 -16.964  21.126   2.582
  136    HE2  HIS  18           HE2      HIS  18 -15.918  18.913   1.894
  137    H    GLY  19           H        GLY  19 -19.541  15.386   6.744
  138    HA2  GLY  19           HA2      GLY  19 -19.987  14.931   9.372
  139    HA3  GLY  19           HA3      GLY  19 -21.161  16.210   9.036
  140    HA   PRO  20           HA       PRO  20 -23.947  13.336   7.020
  141    HB2  PRO  20           HB2      PRO  20 -23.748  14.914   4.461
  142    HB3  PRO  20           HB3      PRO  20 -25.207  14.376   5.337
  143    HG2  PRO  20           HG2      PRO  20 -24.376  16.968   5.484
  144    HG3  PRO  20           HG3      PRO  20 -24.982  16.127   6.949
  145    HD2  PRO  20           HD2      PRO  20 -22.121  16.635   6.129
  146    HD3  PRO  20           HD3      PRO  20 -22.884  16.785   7.738
  147    H    LEU  21           H        LEU  21 -21.226  14.416   4.955
  148    HA   LEU  21           HA       LEU  21 -20.446  11.682   4.465
  149    HB2  LEU  21           HB2      LEU  21 -22.017  12.996   2.481
  150    HB3  LEU  21           HB3      LEU  21 -20.382  13.226   1.913
  151    HG   LEU  21           HG       LEU  21 -20.460  10.555   2.774
  152   HD11  LEU  21          HD11      LEU  21 -22.395   9.552   1.665
  153   HD12  LEU  21          HD12      LEU  21 -22.896  10.699   2.904
  154   HD13  LEU  21          HD13      LEU  21 -22.963  11.173   1.187
  155   HD21  LEU  21          HD21      LEU  21 -20.369   9.907   0.361
  156   HD22  LEU  21          HD22      LEU  21 -20.597  11.636  -0.046
  157   HD23  LEU  21          HD23      LEU  21 -19.150  11.077   0.829
  158    H    MET  22           H        MET  22 -18.459  12.024   2.666
  159    HA   MET  22           HA       MET  22 -16.859  14.345   3.497
  160    HB2  MET  22           HB2      MET  22 -15.239  13.046   4.379
  161    HB3  MET  22           HB3      MET  22 -16.226  11.635   4.220
  162    HG2  MET  22           HG2      MET  22 -14.576  12.647   1.906
  163    HG3  MET  22           HG3      MET  22 -13.823  11.908   3.244
  164    HE1  MET  22           HE1      MET  22 -14.124   9.748  -0.082
  165    HE2  MET  22           HE2      MET  22 -15.320  11.107  -0.168
  166    HE3  MET  22           HE3      MET  22 -13.663  11.347   0.449
  167    H    TYR  23           H        TYR  23 -15.528  15.064   1.718
  168    HA   TYR  23           HA       TYR  23 -16.303  13.959  -0.933
  169    HB2  TYR  23           HB2      TYR  23 -16.320  16.899  -0.193
  170    HB3  TYR  23           HB3      TYR  23 -16.623  16.222  -1.793
  171    HD1  TYR  23           HD1      TYR  23 -18.474  14.125  -1.643
  172    HD2  TYR  23           HD2      TYR  23 -18.302  17.607   0.904
  173    HE1  TYR  23           HE1      TYR  23 -20.836  13.767  -1.007
  174    HE2  TYR  23           HE2      TYR  23 -20.681  17.277   1.508
  175    HH   TYR  23           HH       TYR  23 -22.601  14.493   0.260
  176    H    GLU  24           H        GLU  24 -14.835  15.093  -2.647
  177    HA   GLU  24           HA       GLU  24 -12.175  14.109  -1.817
  178    HB2  GLU  24           HB2      GLU  24 -13.615  14.651  -4.435
  179    HB3  GLU  24           HB3      GLU  24 -11.843  14.534  -4.403
  180    HG2  GLU  24           HG2      GLU  24 -11.828  12.330  -3.685
  181    HG3  GLU  24           HG3      GLU  24 -13.504  12.374  -3.123
  182    H    ALA  25           H        ALA  25 -10.312  15.177  -2.214
  183    HA   ALA  25           HA       ALA  25 -10.424  18.095  -2.271
  184    HB1  ALA  25           HB1      ALA  25 -10.567  17.466   0.100
  185    HB2  ALA  25           HB2      ALA  25  -9.249  16.329  -0.062
  186    HB3  ALA  25           HB3      ALA  25  -8.925  18.042  -0.197
  187    H    LYS  26           H        LYS  26  -8.160  18.943  -2.813
  188    HA   LYS  26           HA       LYS  26  -6.155  16.896  -3.501
  189    HB2  LYS  26           HB2      LYS  26  -7.609  17.464  -5.574
  190    HB3  LYS  26           HB3      LYS  26  -6.944  19.081  -5.460
  191    HG2  LYS  26           HG2      LYS  26  -4.606  17.890  -5.507
  192    HG3  LYS  26           HG3      LYS  26  -5.521  16.432  -5.955
  193    HD2  LYS  26           HD2      LYS  26  -4.645  17.541  -7.940
  194    HD3  LYS  26           HD3      LYS  26  -6.420  17.627  -7.941
  195    HE2  LYS  26           HE2      LYS  26  -6.407  19.937  -7.268
  196    HE3  LYS  26           HE3      LYS  26  -4.699  19.874  -6.828
  197    HZ1  LYS  26           HZ1      LYS  26  -4.986  20.966  -8.942
  198    HZ2  LYS  26           HZ2      LYS  26  -4.103  19.625  -9.102
  199    HZ3  LYS  26           HZ3      LYS  26  -5.679  19.622  -9.608
  200    H    ILE  27           H        ILE  27  -4.535  17.558  -2.174
  201    HA   ILE  27           HA       ILE  27  -4.453  20.095  -0.881
  202    HB   ILE  27           HB       ILE  27  -2.458  17.824  -1.204
  203   HG12  ILE  27          HG12      ILE  27  -3.233  18.391   1.541
  204   HG13  ILE  27          HG13      ILE  27  -4.656  18.190   0.592
  205   HG21  ILE  27          HG21      ILE  27  -1.173  18.908   0.665
  206   HG22  ILE  27          HG22      ILE  27  -1.127  19.840  -0.830
  207   HG23  ILE  27          HG23      ILE  27  -2.204  20.352   0.495
  208   HD11  ILE  27          HD11      ILE  27  -3.752  15.891  -0.084
  209   HD12  ILE  27          HD12      ILE  27  -2.359  16.190   0.941
  210   HD13  ILE  27          HD13      ILE  27  -3.999  16.149   1.692
  211    H    LEU  28           H        LEU  28  -3.791  22.036  -1.633
  212    HA   LEU  28           HA       LEU  28  -1.684  22.158  -3.703
  213    HB2  LEU  28           HB2      LEU  28  -3.821  23.096  -4.444
  214    HB3  LEU  28           HB3      LEU  28  -3.962  24.034  -2.955
  215    HG   LEU  28           HG       LEU  28  -1.823  25.221  -3.550
  216   HD11  LEU  28          HD11      LEU  28  -1.117  25.081  -5.928
  217   HD12  LEU  28          HD12      LEU  28  -0.679  23.731  -4.894
  218   HD13  LEU  28          HD13      LEU  28  -2.048  23.555  -6.047
  219   HD21  LEU  28          HD21      LEU  28  -3.792  26.368  -3.834
  220   HD22  LEU  28          HD22      LEU  28  -2.889  26.606  -5.337
  221   HD23  LEU  28          HD23      LEU  28  -4.248  25.440  -5.292
  222    H    LYS  29           H        LYS  29  -2.985  24.201  -0.937
  223    HA   LYS  29           HA       LYS  29  -0.139  24.961  -0.545
  224    HB2  LYS  29           HB2      LYS  29  -2.478  26.566   0.475
  225    HB3  LYS  29           HB3      LYS  29  -0.776  27.009   0.416
  226    HG2  LYS  29           HG2      LYS  29  -0.925  26.658  -2.133
  227    HG3  LYS  29           HG3      LYS  29  -2.680  26.637  -1.906
  228    HD2  LYS  29           HD2      LYS  29  -0.771  28.926  -1.331
  229    HD3  LYS  29           HD3      LYS  29  -1.940  28.802  -2.663
  230    HE2  LYS  29           HE2      LYS  29  -3.751  28.531  -0.846
  231    HE3  LYS  29           HE3      LYS  29  -2.479  29.050   0.309
  232    HZ1  LYS  29           HZ1      LYS  29  -2.242  31.092  -1.001
  233    HZ2  LYS  29           HZ2      LYS  29  -3.512  30.657  -1.948
  234    HZ3  LYS  29           HZ3      LYS  29  -3.722  30.968  -0.351
  235    H    ILE  30           H        ILE  30   0.943  24.566   1.219
  236    HA   ILE  30           HA       ILE  30  -0.306  22.832   3.236
  237    HB   ILE  30           HB       ILE  30   2.580  22.835   3.407
  238   HG12  ILE  30          HG12      ILE  30   2.589  23.581   1.030
  239   HG13  ILE  30          HG13      ILE  30   3.315  22.014   1.314
  240   HG21  ILE  30          HG21      ILE  30   1.219  20.977   4.133
  241   HG22  ILE  30          HG22      ILE  30   0.596  20.723   2.484
  242   HG23  ILE  30          HG23      ILE  30   2.306  20.441   2.828
  243   HD11  ILE  30          HD11      ILE  30   1.518  20.865   0.275
  244   HD12  ILE  30          HD12      ILE  30   0.408  22.215   0.484
  245   HD13  ILE  30          HD13      ILE  30   1.726  22.339  -0.714
  246    H    TRP  31           H        TRP  31  -1.196  24.274   4.395
  247    HA   TRP  31           HA       TRP  31   0.267  26.513   5.738
  248    HB2  TRP  31           HB2      TRP  31  -1.916  27.137   5.468
  249    HB3  TRP  31           HB3      TRP  31  -2.534  25.560   5.883
  250    HD1  TRP  31           HD1      TRP  31  -2.530  24.982   8.613
  251    HE1  TRP  31           HE1      TRP  31  -2.977  26.550  10.605
  252    HE3  TRP  31           HE3      TRP  31  -1.479  29.535   6.460
  253    HZ2  TRP  31           HZ2      TRP  31  -2.514  29.187  11.309
  254    HZ3  TRP  31           HZ3      TRP  31  -1.680  31.593   7.841
  255    HH2  TRP  31           HH2      TRP  31  -2.294  31.407  10.302
  256    H    ASP  32           H        ASP  32   0.780  26.646   7.923
  257    HA   ASP  32           HA       ASP  32   1.113  24.178   9.442
  258    HB2  ASP  32           HB2      ASP  32   2.986  24.150   7.857
  259    HB3  ASP  32           HB3      ASP  32   3.388  25.823   8.241
  260    HA   PRO  33           HA       PRO  33   0.374  27.767  12.205
  261    HB2  PRO  33           HB2      PRO  33   0.305  26.288  14.587
  262    HB3  PRO  33           HB3      PRO  33  -1.067  26.629  13.513
  263    HG2  PRO  33           HG2      PRO  33   0.758  24.204  13.547
  264    HG3  PRO  33           HG3      PRO  33  -1.041  24.225  13.444
  265    HD2  PRO  33           HD2      PRO  33   0.460  23.827  11.310
  266    HD3  PRO  33           HD3      PRO  33  -0.966  24.911  11.201
  267    H    SER  34           H        SER  34   3.107  25.660  12.030
  268    HA   SER  34           HA       SER  34   4.584  26.661  14.307
  269    HB2  SER  34           HB2      SER  34   5.807  25.595  11.751
  270    HB3  SER  34           HB3      SER  34   6.480  25.578  13.384
  271    HG   SER  34           HG       SER  34   4.386  24.041  12.262
  272    H    SER  35           H        SER  35   3.856  27.938  11.133
  273    HA   SER  35           HA       SER  35   5.426  30.389  11.783
  274    HB2  SER  35           HB2      SER  35   4.833  29.292   9.010
  275    HB3  SER  35           HB3      SER  35   5.850  30.688   9.425
  276    HG   SER  35           HG       SER  35   7.088  28.789   8.996
  277    H    LYS  36           H        LYS  36   2.336  29.013  11.137
  278    HA   LYS  36           HA       LYS  36   0.352  29.741  10.561
  279    HB2  LYS  36           HB2      LYS  36   1.310  31.853  12.419
  280    HB3  LYS  36           HB3      LYS  36  -0.035  32.364  11.435
  281    HG2  LYS  36           HG2      LYS  36  -1.556  30.948  12.356
  282    HG3  LYS  36           HG3      LYS  36  -0.408  29.670  12.665
  283    HD2  LYS  36           HD2      LYS  36  -0.496  32.267  14.250
  284    HD3  LYS  36           HD3      LYS  36  -1.334  30.776  14.728
  285    HE2  LYS  36           HE2      LYS  36   0.796  29.549  14.802
  286    HE3  LYS  36           HE3      LYS  36   1.675  30.975  14.254
  287    HZ1  LYS  36           HZ1      LYS  36   0.206  30.757  16.825
  288    HZ2  LYS  36           HZ2      LYS  36   1.828  30.718  16.645
  289    HZ3  LYS  36           HZ3      LYS  36   1.007  32.092  16.317
  290    H    MET  37           H        MET  37   1.925  29.586   8.577
  291    HA   MET  37           HA       MET  37   0.856  31.406   6.609
  292    HB2  MET  37           HB2      MET  37   3.860  30.941   6.833
  293    HB3  MET  37           HB3      MET  37   3.034  31.811   5.532
  294    HG2  MET  37           HG2      MET  37   2.212  33.468   7.250
  295    HG3  MET  37           HG3      MET  37   3.240  32.667   8.424
  296    HE1  MET  37           HE1      MET  37   6.753  33.264   6.489
  297    HE2  MET  37           HE2      MET  37   5.844  32.104   7.548
  298    HE3  MET  37           HE3      MET  37   5.502  32.211   5.818
  299    H    TYR  38           H        TYR  38   2.136  30.310   4.416
  300    HA   TYR  38           HA       TYR  38   1.639  27.392   4.626
  301    HB2  TYR  38           HB2      TYR  38   0.277  27.551   2.617
  302    HB3  TYR  38           HB3      TYR  38  -0.355  28.563   3.912
  303    HD1  TYR  38           HD1      TYR  38   1.580  28.681   0.696
  304    HD2  TYR  38           HD2      TYR  38  -0.458  30.888   3.757
  305    HE1  TYR  38           HE1      TYR  38   1.666  30.695  -0.734
  306    HE2  TYR  38           HE2      TYR  38  -0.293  32.947   2.365
  307    HH   TYR  38           HH       TYR  38   0.443  33.891   0.401
  308    H    THR  39           H        THR  39   2.013  26.578   2.042
  309    HA   THR  39           HA       THR  39   4.277  27.735   0.769
  310    HB   THR  39           HB       THR  39   5.404  25.390   0.680
  311    HG1  THR  39           HG1      THR  39   3.902  25.180   3.088
  312   HG21  THR  39          HG21      THR  39   6.396  27.411   1.820
  313   HG22  THR  39          HG22      THR  39   5.714  26.798   3.344
  314   HG23  THR  39          HG23      THR  39   6.912  25.838   2.454
  315    H    SER  40           H        SER  40   4.409  26.355  -1.387
  316    HA   SER  40           HA       SER  40   2.260  24.413  -1.906
  317    HB2  SER  40           HB2      SER  40   1.267  26.824  -2.249
  318    HB3  SER  40           HB3      SER  40   2.238  26.712  -3.751
  319    HG   SER  40           HG       SER  40   0.457  24.686  -2.941
  320    H    ILE  41           H        ILE  41   2.568  23.565  -4.093
  321    HA   ILE  41           HA       ILE  41   5.220  24.152  -5.208
  322    HB   ILE  41           HB       ILE  41   5.411  21.672  -5.720
  323   HG12  ILE  41          HG12      ILE  41   4.414  20.107  -4.144
  324   HG13  ILE  41          HG13      ILE  41   3.352  21.345  -3.471
  325   HG21  ILE  41          HG21      ILE  41   6.770  22.908  -4.100
  326   HG22  ILE  41          HG22      ILE  41   5.578  22.587  -2.832
  327   HG23  ILE  41          HG23      ILE  41   6.472  21.245  -3.581
  328   HD11  ILE  41          HD11      ILE  41   2.528  19.630  -5.341
  329   HD12  ILE  41          HD12      ILE  41   1.975  21.310  -5.351
  330   HD13  ILE  41          HD13      ILE  41   3.298  20.798  -6.444
  331    HA   PRO  42           HA       PRO  42   2.811  24.522  -8.948
  332    HB2  PRO  42           HB2      PRO  42   4.770  25.289 -10.661
  333    HB3  PRO  42           HB3      PRO  42   4.467  26.292  -9.215
  334    HG2  PRO  42           HG2      PRO  42   6.458  23.955  -9.463
  335    HG3  PRO  42           HG3      PRO  42   6.858  25.619  -9.017
  336    HD2  PRO  42           HD2      PRO  42   6.340  23.814  -7.067
  337    HD3  PRO  42           HD3      PRO  42   5.555  25.433  -6.932
  338    H    ASN  43           H        ASN  43   4.600  21.838  -8.232
  339    HA   ASN  43           HA       ASN  43   4.642  20.418 -10.740
  340    HB2  ASN  43           HB2      ASN  43   5.976  19.784  -8.724
  341    HB3  ASN  43           HB3      ASN  43   4.476  19.378  -7.881
  342   HD21  ASN  43          HD21      ASN  43   4.175  17.153  -7.839
  343   HD22  ASN  43          HD22      ASN  43   4.597  16.072  -9.143
  344    H    ASP  44           H        ASP  44   2.078  21.559  -8.833
  345    HA   ASP  44           HA       ASP  44   0.090  19.990 -10.321
  346    HB2  ASP  44           HB2      ASP  44   0.204  18.834  -8.160
  347    HB3  ASP  44           HB3      ASP  44   0.093  20.374  -7.301
  348    H    LYS  45           H        LYS  45  -2.051  21.261 -10.149
  349    HA   LYS  45           HA       LYS  45  -1.443  24.194 -10.132
  350    HB2  LYS  45           HB2      LYS  45  -3.149  22.688 -12.166
  351    HB3  LYS  45           HB3      LYS  45  -2.803  24.415 -12.157
  352    HG2  LYS  45           HG2      LYS  45  -0.343  23.859 -12.472
  353    HG3  LYS  45           HG3      LYS  45  -0.811  22.161 -12.659
  354    HD2  LYS  45           HD2      LYS  45  -2.268  22.769 -14.577
  355    HD3  LYS  45           HD3      LYS  45  -1.784  24.471 -14.408
  356    HE2  LYS  45           HE2      LYS  45   0.581  23.854 -14.818
  357    HE3  LYS  45           HE3      LYS  45   0.129  22.149 -14.923
  358    HZ1  LYS  45           HZ1      LYS  45   0.354  23.134 -17.105
  359    HZ2  LYS  45           HZ2      LYS  45  -1.197  22.674 -16.877
  360    HZ3  LYS  45           HZ3      LYS  45  -0.785  24.258 -16.791
  361    HA   PRO  46           HA       PRO  46  -4.987  24.454  -7.535
  362    HB2  PRO  46           HB2      PRO  46  -6.186  26.848  -8.358
  363    HB3  PRO  46           HB3      PRO  46  -4.787  26.714  -7.249
  364    HG2  PRO  46           HG2      PRO  46  -4.765  27.277 -10.226
  365    HG3  PRO  46           HG3      PRO  46  -3.777  28.028  -8.933
  366    HD2  PRO  46           HD2      PRO  46  -2.798  26.077 -10.532
  367    HD3  PRO  46           HD3      PRO  46  -2.375  26.132  -8.788
  368    H    GLY  47           H        GLY  47  -5.910  25.688 -10.722
  369    HA2  GLY  47           HA2      GLY  47  -7.694  23.605 -11.513
  370    HA3  GLY  47           HA3      GLY  47  -8.573  24.929 -10.705
  371    H    GLY  48           H        GLY  48  -5.563  25.641 -12.465
  372    HA2  GLY  48           HA2      GLY  48  -6.458  26.391 -14.971
  373    HA3  GLY  48           HA3      GLY  48  -6.742  27.764 -13.876
  374    H    SER  49           H        SER  49  -5.009  28.200 -15.729
  375    HA   SER  49           HA       SER  49  -2.398  27.285 -15.418
  376    HB2  SER  49           HB2      SER  49  -3.265  29.823 -16.871
  377    HB3  SER  49           HB3      SER  49  -1.869  28.800 -17.255
  378    HG   SER  49           HG       SER  49  -3.649  28.393 -18.647
  379    H    SER  50           H        SER  50  -3.681  29.134 -13.200
  380    HA   SER  50           HA       SER  50  -1.611  31.050 -12.582
  381    HB2  SER  50           HB2      SER  50  -3.454  29.599 -10.645
  382    HB3  SER  50           HB3      SER  50  -2.666  31.171 -10.421
  383    HG   SER  50           HG       SER  50  -4.863  31.401 -11.033
  384    H    GLN  51           H        GLN  51  -1.869  27.610 -12.412
  385    HA   GLN  51           HA       GLN  51  -0.600  25.937 -11.787
  386    HB2  GLN  51           HB2      GLN  51   1.521  25.897 -12.770
  387    HB3  GLN  51           HB3      GLN  51   0.547  27.002 -13.745
  388    HG2  GLN  51           HG2      GLN  51   1.689  28.935 -12.692
  389    HG3  GLN  51           HG3      GLN  51   2.547  27.856 -11.589
  390   HE21  GLN  51          HE21      GLN  51   4.654  28.445 -12.280
  391   HE22  GLN  51          HE22      GLN  51   5.263  28.043 -13.881
  392    H    ALA  52           H        ALA  52  -0.888  27.929  -9.426
  393    HA   ALA  52           HA       ALA  52  -0.198  28.028  -7.259
  394    HB1  ALA  52           HB1      ALA  52   1.879  25.939  -7.751
  395    HB2  ALA  52           HB2      ALA  52   0.966  26.235  -6.257
  396    HB3  ALA  52           HB3      ALA  52   0.178  25.444  -7.675
  397    H    THR  53           H        THR  53   1.234  29.251  -9.618
  398    HA   THR  53           HA       THR  53   2.916  30.627 -10.083
  399    HB   THR  53           HB       THR  53   3.357  30.737  -7.099
  400    HG1  THR  53           HG1      THR  53   2.039  32.498  -7.239
  401   HG21  THR  53          HG21      THR  53   4.415  32.410  -9.405
  402   HG22  THR  53          HG22      THR  53   4.452  32.926  -7.693
  403   HG23  THR  53          HG23      THR  53   5.339  31.482  -8.222
  404    H    LYS  54           H        LYS  54   4.622  28.992  -7.425
  405    HA   LYS  54           HA       LYS  54   6.523  27.629  -9.074
  406    HB2  LYS  54           HB2      LYS  54   7.182  30.252  -8.987
  407    HB3  LYS  54           HB3      LYS  54   7.827  29.756  -7.404
  408    HG2  LYS  54           HG2      LYS  54   8.974  27.828  -8.701
  409    HG3  LYS  54           HG3      LYS  54   8.476  28.653 -10.179
  410    HD2  LYS  54           HD2      LYS  54  10.682  29.430  -9.869
  411    HD3  LYS  54           HD3      LYS  54   9.716  30.723  -9.161
  412    HE2  LYS  54           HE2      LYS  54  11.344  30.357  -7.518
  413    HE3  LYS  54           HE3      LYS  54   9.964  29.409  -6.925
  414    HZ1  LYS  54           HZ1      LYS  54  11.019  27.411  -7.762
  415    HZ2  LYS  54           HZ2      LYS  54  12.252  28.274  -8.432
  416    HZ3  LYS  54           HZ3      LYS  54  12.078  28.204  -6.809
  417    H    GLU  55           H        GLU  55   8.466  27.032  -7.086
  418    HA   GLU  55           HA       GLU  55   6.987  25.917  -4.881
  419    HB2  GLU  55           HB2      GLU  55   9.977  26.553  -5.048
  420    HB3  GLU  55           HB3      GLU  55   9.170  25.602  -3.813
  421    HG2  GLU  55           HG2      GLU  55  10.121  24.008  -5.231
  422    HG3  GLU  55           HG3      GLU  55   8.399  23.997  -5.600
  423    H    ILE  56           H        ILE  56   5.835  27.225  -3.563
  424    HA   ILE  56           HA       ILE  56   6.525  30.029  -3.471
  425    HB   ILE  56           HB       ILE  56   4.300  28.811  -1.822
  426   HG12  ILE  56          HG12      ILE  56   4.268  29.472  -4.801
  427   HG13  ILE  56          HG13      ILE  56   4.021  27.883  -4.075
  428   HG21  ILE  56          HG21      ILE  56   3.290  31.039  -2.216
  429   HG22  ILE  56          HG22      ILE  56   4.893  31.237  -1.551
  430   HG23  ILE  56          HG23      ILE  56   4.630  31.485  -3.285
  431   HD11  ILE  56          HD11      ILE  56   2.149  30.229  -4.124
  432   HD12  ILE  56          HD12      ILE  56   1.945  28.574  -4.703
  433   HD13  ILE  56          HD13      ILE  56   1.936  28.899  -2.923
  434    H    LYS  57           H        LYS  57   7.389  31.155  -1.863
  435    HA   LYS  57           HA       LYS  57   8.770  29.816   0.355
  436    HB2  LYS  57           HB2      LYS  57   8.396  32.776  -0.347
  437    HB3  LYS  57           HB3      LYS  57   9.435  32.155   0.939
  438    HG2  LYS  57           HG2      LYS  57   9.829  31.714  -2.058
  439    HG3  LYS  57           HG3      LYS  57  10.732  32.821  -1.025
  440    HD2  LYS  57           HD2      LYS  57  11.575  30.880   0.306
  441    HD3  LYS  57           HD3      LYS  57  10.724  29.774  -0.808
  442    HE2  LYS  57           HE2      LYS  57  12.004  30.677  -2.718
  443    HE3  LYS  57           HE3      LYS  57  12.848  31.796  -1.636
  444    HZ1  LYS  57           HZ1      LYS  57  14.168  29.833  -2.079
  445    HZ2  LYS  57           HZ2      LYS  57  13.797  29.887  -0.492
  446    HZ3  LYS  57           HZ3      LYS  57  13.017  28.840  -1.483
  447    HA   PRO  58           HA       PRO  58   5.215  30.547   2.974
  448    HB2  PRO  58           HB2      PRO  58   7.276  31.156   5.101
  449    HB3  PRO  58           HB3      PRO  58   5.877  30.030   5.202
  450    HG2  PRO  58           HG2      PRO  58   8.439  29.149   4.956
  451    HG3  PRO  58           HG3      PRO  58   7.105  28.357   4.068
  452    HD2  PRO  58           HD2      PRO  58   9.055  30.449   3.080
  453    HD3  PRO  58           HD3      PRO  58   8.489  28.933   2.282
  454    H    GLN  59           H        GLN  59   4.073  32.404   3.014
  455    HA   GLN  59           HA       GLN  59   5.379  34.980   3.686
  456    HB2  GLN  59           HB2      GLN  59   3.786  34.396   1.139
  457    HB3  GLN  59           HB3      GLN  59   4.076  36.020   1.770
  458    HG2  GLN  59           HG2      GLN  59   6.518  35.679   1.585
  459    HG3  GLN  59           HG3      GLN  59   6.254  34.087   0.879
  460   HE21  GLN  59          HE21      GLN  59   7.704  36.205  -0.422
  461   HE22  GLN  59          HE22      GLN  59   6.810  36.655  -1.852
  462    H    LYS  60           H        LYS  60   3.976  36.304   4.785
  463    HA   LYS  60           HA       LYS  60   1.728  35.358   6.086
  464    HB2  LYS  60           HB2      LYS  60   2.390  38.197   5.270
  465    HB3  LYS  60           HB3      LYS  60   0.913  37.795   6.134
  466    HG2  LYS  60           HG2      LYS  60   3.752  37.437   7.153
  467    HG3  LYS  60           HG3      LYS  60   2.540  38.579   7.719
  468    HD2  LYS  60           HD2      LYS  60   2.623  35.588   8.146
  469    HD3  LYS  60           HD3      LYS  60   2.722  36.849   9.349
  470    HE2  LYS  60           HE2      LYS  60   0.366  37.407   9.044
  471    HE3  LYS  60           HE3      LYS  60   0.224  36.294   7.679
  472    HZ1  LYS  60           HZ1      LYS  60   0.629  34.442   9.208
  473    HZ2  LYS  60           HZ2      LYS  60   0.806  35.484  10.469
  474    HZ3  LYS  60           HZ3      LYS  60  -0.633  35.337   9.725
  475    H    LEU  61           H        LEU  61   0.219  34.436   5.417
  476    HA   LEU  61           HA       LEU  61  -1.338  34.640   3.136
  477    HB2  LEU  61           HB2      LEU  61  -1.258  32.716   4.456
  478    HB3  LEU  61           HB3      LEU  61  -1.424  33.532   5.964
  479    HG   LEU  61           HG       LEU  61  -3.867  33.676   4.236
  480   HD11  LEU  61          HD11      LEU  61  -4.437  31.382   4.719
  481   HD12  LEU  61          HD12      LEU  61  -2.973  31.499   3.738
  482   HD13  LEU  61          HD13      LEU  61  -2.831  31.123   5.454
  483   HD21  LEU  61          HD21      LEU  61  -3.736  34.632   6.528
  484   HD22  LEU  61          HD22      LEU  61  -4.941  33.329   6.395
  485   HD23  LEU  61          HD23      LEU  61  -3.362  33.030   7.163
  486    H    GLY  62           H        GLY  62  -3.539  35.282   2.928
  487    HA2  GLY  62           HA2      GLY  62  -5.220  36.623   4.401
  488    HA3  GLY  62           HA3      GLY  62  -4.058  37.939   4.224
  489    H    GLU  63           H        GLU  63  -4.696  35.754   1.460
  490    HA   GLU  63           HA       GLU  63  -5.849  38.082   0.028
  491    HB2  GLU  63           HB2      GLU  63  -5.404  36.873  -2.039
  492    HB3  GLU  63           HB3      GLU  63  -3.972  37.288  -1.117
  493    HG2  GLU  63           HG2      GLU  63  -3.562  35.045  -0.465
  494    HG3  GLU  63           HG3      GLU  63  -5.168  34.501  -0.999
  495    H    ASP  64           H        ASP  64  -7.414  37.229   1.870
  496    HA   ASP  64           HA       ASP  64  -9.544  36.706   2.368
  497    HB2  ASP  64           HB2      ASP  64 -10.029  38.228   0.539
  498    HB3  ASP  64           HB3      ASP  64 -10.030  36.891  -0.609
  499    H    GLU  65           H        GLU  65  -8.141  34.710   2.794
  500    HA   GLU  65           HA       GLU  65  -9.488  32.249   1.778
  501    HB2  GLU  65           HB2      GLU  65  -7.300  31.272   1.354
  502    HB3  GLU  65           HB3      GLU  65  -7.266  32.871   0.601
  503    HG2  GLU  65           HG2      GLU  65  -6.297  33.597   2.996
  504    HG3  GLU  65           HG3      GLU  65  -5.920  31.887   3.131
  505    H    SER  66           H        SER  66  -8.985  34.024   4.417
  506    HA   SER  66           HA       SER  66  -7.401  32.862   6.229
  507    HB2  SER  66           HB2      SER  66 -10.138  33.841   7.010
  508    HB3  SER  66           HB3      SER  66  -8.645  33.832   7.961
  509    HG   SER  66           HG       SER  66  -9.072  35.912   7.017
  510    H    ILE  67           H        ILE  67  -7.058  30.981   7.050
  511    HA   ILE  67           HA       ILE  67  -8.862  28.773   7.186
  512    HB   ILE  67           HB       ILE  67  -7.017  28.200   9.075
  513   HG12  ILE  67          HG12      ILE  67  -5.835  30.463   8.747
  514   HG13  ILE  67          HG13      ILE  67  -4.878  29.000   8.744
  515   HG21  ILE  67          HG21      ILE  67  -6.498  27.963   6.163
  516   HG22  ILE  67          HG22      ILE  67  -5.549  27.173   7.472
  517   HG23  ILE  67          HG23      ILE  67  -7.233  26.754   7.255
  518   HD11  ILE  67          HD11      ILE  67  -4.410  29.086   6.490
  519   HD12  ILE  67          HD12      ILE  67  -5.726  30.224   6.144
  520   HD13  ILE  67          HD13      ILE  67  -4.312  30.762   7.080
  521    HA   PRO  68           HA       PRO  68 -10.716  30.484  11.054
  522    HB2  PRO  68           HB2      PRO  68 -12.387  28.400  11.740
  523    HB3  PRO  68           HB3      PRO  68 -12.771  29.627  10.494
  524    HG2  PRO  68           HG2      PRO  68 -11.643  26.848  10.092
  525    HG3  PRO  68           HG3      PRO  68 -12.971  27.641   9.198
  526    HD2  PRO  68           HD2      PRO  68 -10.449  27.589   8.198
  527    HD3  PRO  68           HD3      PRO  68 -11.478  29.023   7.993
  528    H    GLU  69           H        GLU  69 -10.495  30.006  13.338
  529    HA   GLU  69           HA       GLU  69  -8.135  28.716  14.123
  530    HB2  GLU  69           HB2      GLU  69 -10.535  29.413  15.833
  531    HB3  GLU  69           HB3      GLU  69  -8.910  29.001  16.406
  532    HG2  GLU  69           HG2      GLU  69  -7.979  30.953  15.162
  533    HG3  GLU  69           HG3      GLU  69  -9.612  31.410  14.675
  534    H    GLU  70           H        GLU  70 -11.270  27.353  13.538
  535    HA   GLU  70           HA       GLU  70 -11.238  24.947  14.994
  536    HB2  GLU  70           HB2      GLU  70 -13.141  25.802  13.669
  537    HB3  GLU  70           HB3      GLU  70 -12.254  25.492  12.171
  538    HG2  GLU  70           HG2      GLU  70 -12.222  23.068  12.654
  539    HG3  GLU  70           HG3      GLU  70 -13.041  23.343  14.189
  540    H    ILE  71           H        ILE  71  -9.436  25.885  12.059
  541    HA   ILE  71           HA       ILE  71  -8.292  23.131  11.931
  542    HB   ILE  71           HB       ILE  71  -7.992  23.451   9.568
  543   HG12  ILE  71          HG12      ILE  71  -9.563  26.033   9.792
  544   HG13  ILE  71          HG13      ILE  71  -7.867  25.903   9.365
  545   HG21  ILE  71          HG21      ILE  71 -10.281  23.035   8.960
  546   HG22  ILE  71          HG22      ILE  71 -10.044  22.403  10.594
  547   HG23  ILE  71          HG23      ILE  71 -10.881  23.957  10.341
  548   HD11  ILE  71          HD11      ILE  71 -10.222  24.834   7.724
  549   HD12  ILE  71          HD12      ILE  71  -9.214  26.188   7.306
  550   HD13  ILE  71          HD13      ILE  71  -8.499  24.572   7.330
  551    H    ILE  72           H        ILE  72  -7.447  26.567  12.085
  552    HA   ILE  72           HA       ILE  72  -4.983  26.685  11.065
  553    HB   ILE  72           HB       ILE  72  -6.547  28.095  13.008
  554   HG12  ILE  72          HG12      ILE  72  -4.431  29.850  12.166
  555   HG13  ILE  72          HG13      ILE  72  -4.770  28.737  10.831
  556   HG21  ILE  72          HG21      ILE  72  -5.008  27.675  14.797
  557   HG22  ILE  72          HG22      ILE  72  -3.660  28.393  13.800
  558   HG23  ILE  72          HG23      ILE  72  -5.058  29.370  14.315
  559   HD11  ILE  72          HD11      ILE  72  -6.175  30.746  10.821
  560   HD12  ILE  72          HD12      ILE  72  -7.066  29.192  10.971
  561   HD13  ILE  72          HD13      ILE  72  -6.867  30.259  12.388
  562    H    ASN  73           H        ASN  73  -5.765  25.252  14.084
  563    HA   ASN  73           HA       ASN  73  -3.235  25.124  15.340
  564    HB2  ASN  73           HB2      ASN  73  -4.467  23.664  16.892
  565    HB3  ASN  73           HB3      ASN  73  -5.388  25.123  16.483
  566   HD21  ASN  73          HD21      ASN  73  -7.498  24.856  15.506
  567   HD22  ASN  73          HD22      ASN  73  -8.104  23.315  14.997
  568    H    GLY  74           H        GLY  74  -4.218  23.381  12.682
  569    HA2  GLY  74           HA2      GLY  74  -2.168  21.277  13.190
  570    HA3  GLY  74           HA3      GLY  74  -3.734  20.823  12.490
  571    H    LYS  75           H        LYS  75  -1.732  20.291  11.060
  572    HA   LYS  75           HA       LYS  75  -0.833  22.148   9.067
  573    HB2  LYS  75           HB2      LYS  75  -1.644  19.248   8.695
  574    HB3  LYS  75           HB3      LYS  75  -0.780  20.225   7.510
  575    HG2  LYS  75           HG2      LYS  75   0.411  19.851  10.235
  576    HG3  LYS  75           HG3      LYS  75   0.400  18.492   9.096
  577    HD2  LYS  75           HD2      LYS  75   2.473  19.380   8.645
  578    HD3  LYS  75           HD3      LYS  75   1.494  20.155   7.410
  579    HE2  LYS  75           HE2      LYS  75   2.932  21.829   8.359
  580    HE3  LYS  75           HE3      LYS  75   1.291  22.168   8.920
  581    HZ1  LYS  75           HZ1      LYS  75   3.424  20.807  10.478
  582    HZ2  LYS  75           HZ2      LYS  75   2.922  22.344  10.717
  583    HZ3  LYS  75           HZ3      LYS  75   1.916  21.099  11.050
  584    H    CYS  76           H        CYS  76  -2.002  22.999   7.352
  585    HA   CYS  76           HA       CYS  76  -4.780  22.023   6.986
  586    HB2  CYS  76           HB2      CYS  76  -4.155  25.011   6.895
  587    HB3  CYS  76           HB3      CYS  76  -5.643  24.233   6.421
  588    HG   CYS  76           HG       CYS  76  -4.213  23.926   9.401
  589    H    PHE  77           H        PHE  77  -5.515  22.113   4.919
  590    HA   PHE  77           HA       PHE  77  -3.394  22.410   2.845
  591    HB2  PHE  77           HB2      PHE  77  -5.463  20.204   2.982
  592    HB3  PHE  77           HB3      PHE  77  -4.125  20.392   1.861
  593    HD1  PHE  77           HD1      PHE  77  -1.721  20.240   2.803
  594    HD2  PHE  77           HD2      PHE  77  -5.192  19.380   5.149
  595    HE1  PHE  77           HE1      PHE  77  -0.279  19.171   4.540
  596    HE2  PHE  77           HE2      PHE  77  -3.777  18.316   6.892
  597    HZ   PHE  77           HZ       PHE  77  -1.308  18.124   6.526
  598    H    PHE  78           H        PHE  78  -4.039  24.052   1.701
  599    HA   PHE  78           HA       PHE  78  -6.810  24.852   1.210
  600    HB2  PHE  78           HB2      PHE  78  -4.808  26.400   1.014
  601    HB3  PHE  78           HB3      PHE  78  -4.299  25.466  -0.385
  602    HD1  PHE  78           HD1      PHE  78  -7.037  27.586   0.999
  603    HD2  PHE  78           HD2      PHE  78  -5.375  25.718  -2.497
  604    HE1  PHE  78           HE1      PHE  78  -8.492  28.990  -0.443
  605    HE2  PHE  78           HE2      PHE  78  -6.743  27.144  -3.938
  606    HZ   PHE  78           HZ       PHE  78  -8.280  28.857  -2.918
  607    H    ILE  79           H        ILE  79  -8.082  23.416   0.013
  608    HA   ILE  79           HA       ILE  79  -6.670  21.616  -1.869
  609    HB   ILE  79           HB       ILE  79  -8.566  20.010  -1.208
  610   HG12  ILE  79          HG12      ILE  79  -8.791  21.703   1.275
  611   HG13  ILE  79          HG13      ILE  79  -9.826  22.005  -0.124
  612   HG21  ILE  79          HG21      ILE  79  -6.548  19.298  -0.360
  613   HG22  ILE  79          HG22      ILE  79  -6.246  20.775   0.568
  614   HG23  ILE  79          HG23      ILE  79  -7.411  19.610   1.146
  615   HD11  ILE  79          HD11      ILE  79 -11.050  20.842   1.422
  616   HD12  ILE  79          HD12      ILE  79 -10.812  19.849  -0.027
  617   HD13  ILE  79          HD13      ILE  79  -9.879  19.475   1.458
  618    H    HIS  80           H        HIS  80  -7.631  21.123  -3.811
  619    HA   HIS  80           HA       HIS  80  -9.924  22.827  -4.617
  620    HB2  HIS  80           HB2      HIS  80  -8.080  22.227  -6.224
  621    HB3  HIS  80           HB3      HIS  80  -8.689  20.558  -6.160
  622    HD2  HIS  80           HD2      HIS  80  -9.648  24.087  -7.349
  623    HE1  HIS  80           HE1      HIS  80 -12.544  21.436  -9.020
  624    HE2  HIS  80           HE2      HIS  80 -11.690  23.836  -9.003
  625    H    TYR  81           H        TYR  81 -11.828  22.211  -3.927
  626    HA   TYR  81           HA       TYR  81 -12.328  19.505  -2.869
  627    HB2  TYR  81           HB2      TYR  81 -13.985  22.004  -3.120
  628    HB3  TYR  81           HB3      TYR  81 -14.745  20.470  -2.815
  629    HD1  TYR  81           HD1      TYR  81 -13.409  19.043  -0.870
  630    HD2  TYR  81           HD2      TYR  81 -13.762  23.319  -1.086
  631    HE1  TYR  81           HE1      TYR  81 -13.647  19.120   1.579
  632    HE2  TYR  81           HE2      TYR  81 -14.035  23.423   1.367
  633    HH   TYR  81           HH       TYR  81 -14.099  20.498   3.439
  634    H    GLN  82           H        GLN  82 -12.865  17.884  -4.222
  635    HA   GLN  82           HA       GLN  82 -13.552  18.580  -7.031
  636    HB2  GLN  82           HB2      GLN  82 -12.630  15.858  -6.105
  637    HB3  GLN  82           HB3      GLN  82 -12.609  16.549  -7.720
  638    HG2  GLN  82           HG2      GLN  82 -10.901  18.239  -6.872
  639    HG3  GLN  82           HG3      GLN  82 -10.865  17.323  -5.349
  640   HE21  GLN  82          HE21      GLN  82  -9.484  15.661  -5.174
  641   HE22  GLN  82          HE22      GLN  82  -8.610  14.949  -6.513
  642    H    GLY  83           H        GLY  83 -15.074  17.179  -8.173
  643    HA2  GLY  83           HA2      GLY  83 -17.154  16.166  -8.366
  644    HA3  GLY  83           HA3      GLY  83 -17.154  15.802  -6.627
  645    H    TRP  84           H        TRP  84 -16.320  19.041  -6.933
  646    HA   TRP  84           HA       TRP  84 -19.130  20.002  -6.902
  647    HB2  TRP  84           HB2      TRP  84 -17.098  20.552  -4.690
  648    HB3  TRP  84           HB3      TRP  84 -18.727  21.249  -4.841
  649    HD1  TRP  84           HD1      TRP  84 -17.101  18.449  -3.128
  650    HE1  TRP  84           HE1      TRP  84 -18.931  16.975  -2.067
  651    HE3  TRP  84           HE3      TRP  84 -21.117  20.178  -5.728
  652    HZ2  TRP  84           HZ2      TRP  84 -21.771  16.754  -2.210
  653    HZ3  TRP  84           HZ3      TRP  84 -23.420  19.327  -5.250
  654    HH2  TRP  84           HH2      TRP  84 -23.760  17.609  -3.467
  655    H    LYS  85           H        LYS  85 -19.039  22.528  -6.626
  656    HA   LYS  85           HA       LYS  85 -18.041  23.416  -9.148
  657    HB2  LYS  85           HB2      LYS  85 -18.852  25.050  -6.700
  658    HB3  LYS  85           HB3      LYS  85 -18.695  25.690  -8.324
  659    HG2  LYS  85           HG2      LYS  85 -20.746  23.555  -7.554
  660    HG3  LYS  85           HG3      LYS  85 -21.026  25.276  -7.453
  661    HD2  LYS  85           HD2      LYS  85 -22.038  24.644  -9.444
  662    HD3  LYS  85           HD3      LYS  85 -20.558  25.462  -9.932
  663    HE2  LYS  85           HE2      LYS  85 -19.487  23.277 -10.398
  664    HE3  LYS  85           HE3      LYS  85 -20.906  22.429  -9.760
  665    HZ1  LYS  85           HZ1      LYS  85 -20.896  24.163 -12.165
  666    HZ2  LYS  85           HZ2      LYS  85 -20.923  22.531 -12.168
  667    HZ3  LYS  85           HZ3      LYS  85 -22.194  23.360 -11.577
  668    H    SER  86           H        SER  86 -16.128  24.400  -9.734
  669    HA   SER  86           HA       SER  86 -13.855  24.341  -8.115
  670    HB2  SER  86           HB2      SER  86 -14.405  26.200 -10.476
  671    HB3  SER  86           HB3      SER  86 -12.814  25.685  -9.885
  672    HG   SER  86           HG       SER  86 -13.579  24.436 -11.691
  673    H    SER  87           H        SER  87 -16.401  26.728  -7.852
  674    HA   SER  87           HA       SER  87 -14.925  28.855  -6.701
  675    HB2  SER  87           HB2      SER  87 -17.653  27.859  -5.802
  676    HB3  SER  87           HB3      SER  87 -17.022  29.515  -5.750
  677    HG   SER  87           HG       SER  87 -18.444  29.229  -7.515
  678    H    TRP  88           H        TRP  88 -15.716  25.624  -5.529
  679    HA   TRP  88           HA       TRP  88 -14.967  26.111  -2.759
  680    HB2  TRP  88           HB2      TRP  88 -15.592  23.555  -4.278
  681    HB3  TRP  88           HB3      TRP  88 -15.176  23.683  -2.594
  682    HD1  TRP  88           HD1      TRP  88 -17.855  25.951  -4.187
  683    HE1  TRP  88           HE1      TRP  88 -19.998  25.578  -2.894
  684    HE3  TRP  88           HE3      TRP  88 -16.300  22.132  -1.164
  685    HZ2  TRP  88           HZ2      TRP  88 -21.065  23.601  -1.024
  686    HZ3  TRP  88           HZ3      TRP  88 -17.915  20.979   0.330
  687    HH2  TRP  88           HH2      TRP  88 -20.291  21.708   0.417
  688    H    ASP  89           H        ASP  89 -12.923  27.068  -3.344
  689    HA   ASP  89           HA       ASP  89 -10.752  25.013  -3.389
  690    HB2  ASP  89           HB2      ASP  89 -10.940  27.642  -4.854
  691    HB3  ASP  89           HB3      ASP  89  -9.444  27.288  -4.021
  692    H    GLU  90           H        GLU  90 -10.754  24.739  -1.124
  693    HA   GLU  90           HA       GLU  90 -10.543  27.189   0.579
  694    HB2  GLU  90           HB2      GLU  90 -12.940  26.294   0.285
  695    HB3  GLU  90           HB3      GLU  90 -12.332  24.739   0.872
  696    HG2  GLU  90           HG2      GLU  90 -13.601  26.015   2.576
  697    HG3  GLU  90           HG3      GLU  90 -11.984  25.594   3.070
  698    H    TRP  91           H        TRP  91  -9.403  26.713   2.673
  699    HA   TRP  91           HA       TRP  91  -8.033  24.139   2.609
  700    HB2  TRP  91           HB2      TRP  91  -7.727  25.581   5.141
  701    HB3  TRP  91           HB3      TRP  91  -6.538  24.771   4.171
  702    HD1  TRP  91           HD1      TRP  91  -8.594  28.000   4.081
  703    HE1  TRP  91           HE1      TRP  91  -7.020  29.921   3.878
  704    HE3  TRP  91           HE3      TRP  91  -4.091  25.525   3.688
  705    HZ2  TRP  91           HZ2      TRP  91  -4.408  30.354   2.581
  706    HZ3  TRP  91           HZ3      TRP  91  -2.062  26.791   3.051
  707    HH2  TRP  91           HH2      TRP  91  -2.235  29.258   2.474
  708    H    VAL  92           H        VAL  92  -7.913  22.673   4.212
  709    HA   VAL  92           HA       VAL  92  -9.902  22.781   6.424
  710    HB   VAL  92           HB       VAL  92 -10.175  20.251   6.137
  711   HG11  VAL  92          HG11      VAL  92 -11.984  20.377   4.594
  712   HG12  VAL  92          HG12      VAL  92 -12.022  21.800   5.655
  713   HG13  VAL  92          HG13      VAL  92 -11.435  21.961   3.978
  714   HG21  VAL  92          HG21      VAL  92  -9.933  19.332   3.912
  715   HG22  VAL  92          HG22      VAL  92  -9.338  20.882   3.290
  716   HG23  VAL  92          HG23      VAL  92  -8.374  20.002   4.467
  717    H    GLY  93           H        GLY  93  -9.235  21.421   8.219
  718    HA2  GLY  93           HA2      GLY  93  -6.282  21.185   8.421
  719    HA3  GLY  93           HA3      GLY  93  -7.427  21.240   9.763
  720    H    TYR  94           H        TYR  94  -5.575  19.273   9.677
  721    HA   TYR  94           HA       TYR  94  -6.360  16.841   8.503
  722    HB2  TYR  94           HB2      TYR  94  -4.315  17.798  10.135
  723    HB3  TYR  94           HB3      TYR  94  -5.053  16.513  11.112
  724    HD1  TYR  94           HD1      TYR  94  -5.739  14.383   9.589
  725    HD2  TYR  94           HD2      TYR  94  -2.683  17.256   8.668
  726    HE1  TYR  94           HE1      TYR  94  -4.995  12.967   7.705
  727    HE2  TYR  94           HE2      TYR  94  -1.952  15.859   6.748
  728    HH   TYR  94           HH       TYR  94  -2.378  13.900   5.474
  729    H    ASP  95           H        ASP  95  -7.660  18.487  11.219
  730    HA   ASP  95           HA       ASP  95  -9.115  16.435  12.527
  731    HB2  ASP  95           HB2      ASP  95  -8.892  18.759  13.372
  732    HB3  ASP  95           HB3      ASP  95  -9.892  19.342  12.041
  733    H    ARG  96           H        ARG  96  -9.541  17.746   9.341
  734    HA   ARG  96           HA       ARG  96 -12.104  16.224   9.051
  735    HB2  ARG  96           HB2      ARG  96 -11.228  18.795   7.682
  736    HB3  ARG  96           HB3      ARG  96 -12.626  17.836   7.209
  737    HG2  ARG  96           HG2      ARG  96 -13.591  18.125   9.500
  738    HG3  ARG  96           HG3      ARG  96 -12.226  19.176   9.924
  739    HD2  ARG  96           HD2      ARG  96 -12.840  20.751   8.144
  740    HD3  ARG  96           HD3      ARG  96 -14.157  19.699   7.615
  741    HE   ARG  96           HE       ARG  96 -14.098  21.491   9.944
  742   HH11  ARG  96          HH11      ARG  96 -15.768  18.646   8.561
  743   HH12  ARG  96          HH12      ARG  96 -17.248  18.960   9.419
  744   HH21  ARG  96          HH21      ARG  96 -15.888  21.845  11.069
  745   HH22  ARG  96          HH22      ARG  96 -17.328  20.856  10.938
  746    H    ILE  97           H        ILE  97  -8.926  17.045   7.463
  747    HA   ILE  97           HA       ILE  97  -9.761  15.247   5.295
  748    HB   ILE  97           HB       ILE  97  -9.090  17.610   4.998
  749   HG12  ILE  97          HG12      ILE  97  -7.511  15.569   3.397
  750   HG13  ILE  97          HG13      ILE  97  -9.102  16.221   3.013
  751   HG21  ILE  97          HG21      ILE  97  -7.081  18.426   5.180
  752   HG22  ILE  97          HG22      ILE  97  -6.931  17.300   6.557
  753   HG23  ILE  97          HG23      ILE  97  -6.177  16.878   4.988
  754   HD11  ILE  97          HD11      ILE  97  -7.882  18.519   3.038
  755   HD12  ILE  97          HD12      ILE  97  -6.420  17.542   2.813
  756   HD13  ILE  97          HD13      ILE  97  -7.773  17.472   1.652
  757    H    ARG  98           H        ARG  98  -8.428  13.758   4.319
  758    HA   ARG  98           HA       ARG  98  -5.876  12.967   5.618
  759    HB2  ARG  98           HB2      ARG  98  -8.103  11.124   4.854
  760    HB3  ARG  98           HB3      ARG  98  -6.402  10.664   5.175
  761    HG2  ARG  98           HG2      ARG  98  -6.606  11.428   7.514
  762    HG3  ARG  98           HG3      ARG  98  -8.298  11.969   7.221
  763    HD2  ARG  98           HD2      ARG  98  -8.950   9.773   6.575
  764    HD3  ARG  98           HD3      ARG  98  -7.262   9.215   6.611
  765    HE   ARG  98           HE       ARG  98  -7.974  10.116   9.208
  766   HH11  ARG  98          HH11      ARG  98  -8.850   7.545   6.914
  767   HH12  ARG  98          HH12      ARG  98  -8.743   6.267   8.110
  768   HH21  ARG  98          HH21      ARG  98  -8.134   8.420  10.839
  769   HH22  ARG  98          HH22      ARG  98  -8.520   6.802  10.361
  770    H    ALA  99           H        ALA  99  -4.545  11.789   3.954
  771    HA   ALA  99           HA       ALA  99  -4.841  12.901   1.295
  772    HB1  ALA  99           HB1      ALA  99  -3.046  10.703   2.254
  773    HB2  ALA  99           HB2      ALA  99  -2.731  11.902   0.896
  774    HB3  ALA  99           HB3      ALA  99  -2.755  12.416   2.601
  775    H    TYR 100           H        TYR 100  -4.530  11.493  -0.655
  776    HA   TYR 100           HA       TYR 100  -6.827   9.807  -0.807
  777    HB2  TYR 100           HB2      TYR 100  -5.503  11.198  -2.581
  778    HB3  TYR 100           HB3      TYR 100  -4.775   9.664  -2.950
  779    HD1  TYR 100           HD1      TYR 100  -8.123  11.312  -2.465
  780    HD2  TYR 100           HD2      TYR 100  -5.936   8.131  -4.387
  781    HE1  TYR 100           HE1      TYR 100 -10.153  10.693  -3.740
  782    HE2  TYR 100           HE2      TYR 100  -7.944   7.540  -5.703
  783    HH   TYR 100           HH       TYR 100 -10.180   8.033  -6.166
  784    H    ASN 101           H        ASN 101  -6.989   7.762  -0.124
  785    HA   ASN 101           HA       ASN 101  -5.203   5.748  -1.034
  786    HB2  ASN 101           HB2      ASN 101  -4.105   4.982   0.884
  787    HB3  ASN 101           HB3      ASN 101  -3.838   6.720   0.897
  788   HD21  ASN 101          HD21      ASN 101  -5.242   8.055   2.299
  789   HD22  ASN 101          HD22      ASN 101  -5.720   7.364   3.819
  790    H    GLU 102           H        GLU 102  -5.631   3.592   0.005
  791    HA   GLU 102           HA       GLU 102  -8.229   2.922  -0.686
  792    HB2  GLU 102           HB2      GLU 102  -6.212   1.336   0.967
  793    HB3  GLU 102           HB3      GLU 102  -7.641   0.652   0.195
  794    HG2  GLU 102           HG2      GLU 102  -5.291   1.948  -1.258
  795    HG3  GLU 102           HG3      GLU 102  -5.584   0.220  -1.090
  796    H    GLU 103           H        GLU 103  -6.968   3.560   2.607
  797    HA   GLU 103           HA       GLU 103  -9.295   2.498   3.940
  798    HB2  GLU 103           HB2      GLU 103  -7.342   2.640   5.197
  799    HB3  GLU 103           HB3      GLU 103  -6.995   4.305   4.727
  800    HG2  GLU 103           HG2      GLU 103  -8.669   5.222   6.045
  801    HG3  GLU 103           HG3      GLU 103  -9.440   3.641   6.365
  802    H    ASN 104           H        ASN 104  -8.671   5.557   2.250
  803    HA   ASN 104           HA       ASN 104 -10.973   6.887   3.614
  804    HB2  ASN 104           HB2      ASN 104  -9.026   7.966   1.658
  805    HB3  ASN 104           HB3      ASN 104 -10.388   8.830   2.429
  806   HD21  ASN 104          HD21      ASN 104  -7.312   9.169   2.615
  807   HD22  ASN 104          HD22      ASN 104  -7.005   9.118   4.323
  808    H    ILE 105           H        ILE 105 -10.036   5.164   0.715
  809    HA   ILE 105           HA       ILE 105 -12.504   5.825  -0.684
  810    HB   ILE 105           HB       ILE 105 -10.131   4.009  -0.919
  811   HG12  ILE 105          HG12      ILE 105  -9.445   5.460  -2.547
  812   HG13  ILE 105          HG13      ILE 105 -11.109   5.791  -3.107
  813   HG21  ILE 105          HG21      ILE 105 -11.051   3.244  -3.113
  814   HG22  ILE 105          HG22      ILE 105 -11.864   2.616  -1.655
  815   HG23  ILE 105          HG23      ILE 105 -12.631   3.925  -2.583
  816   HD11  ILE 105          HD11      ILE 105 -11.362   7.555  -1.385
  817   HD12  ILE 105          HD12      ILE 105  -9.722   7.189  -0.794
  818   HD13  ILE 105          HD13      ILE 105  -9.946   7.826  -2.411
  819    H    ALA 106           H        ALA 106 -11.447   3.396   1.701
  820    HA   ALA 106           HA       ALA 106 -13.810   1.753   1.397
  821    HB1  ALA 106           HB1      ALA 106 -13.020   0.741   3.474
  822    HB2  ALA 106           HB2      ALA 106 -11.645   1.023   2.360
  823    HB3  ALA 106           HB3      ALA 106 -11.904   2.100   3.742
  824    H    MET 107           H        MET 107 -12.816   4.502   3.516
  825    HA   MET 107           HA       MET 107 -15.384   4.738   4.755
  826    HB2  MET 107           HB2      MET 107 -14.563   6.474   5.947
  827    HB3  MET 107           HB3      MET 107 -13.022   5.866   5.331
  828    HG2  MET 107           HG2      MET 107 -13.494   7.601   3.419
  829    HG3  MET 107           HG3      MET 107 -14.628   8.279   4.573
  830    HE1  MET 107           HE1      MET 107 -13.477  10.430   4.460
  831    HE2  MET 107           HE2      MET 107 -11.702  10.718   4.378
  832    HE3  MET 107           HE3      MET 107 -12.511   9.676   3.149
  833    H    LYS 108           H        LYS 108 -14.093   6.269   1.708
  834    HA   LYS 108           HA       LYS 108 -16.350   7.726   1.077
  835    HB2  LYS 108           HB2      LYS 108 -14.317   7.727  -0.369
  836    HB3  LYS 108           HB3      LYS 108 -14.637   6.086  -0.849
  837    HG2  LYS 108           HG2      LYS 108 -15.298   7.407  -2.657
  838    HG3  LYS 108           HG3      LYS 108 -16.744   6.740  -1.955
  839    HD2  LYS 108           HD2      LYS 108 -17.587   8.833  -2.115
  840    HD3  LYS 108           HD3      LYS 108 -16.682   9.172  -0.651
  841    HE2  LYS 108           HE2      LYS 108 -16.085  10.897  -2.138
  842    HE3  LYS 108           HE3      LYS 108 -14.693   9.783  -2.220
  843    HZ1  LYS 108           HZ1      LYS 108 -15.339  10.510  -4.426
  844    HZ2  LYS 108           HZ2      LYS 108 -15.675   8.915  -4.303
  845    HZ3  LYS 108           HZ3      LYS 108 -16.889  10.018  -4.199
  846    H    LYS 109           H        LYS 109 -15.666   4.273   0.133
  847    HA   LYS 109           HA       LYS 109 -17.980   3.527  -1.071
  848    HB2  LYS 109           HB2      LYS 109 -15.707   2.260   0.302
  849    HB3  LYS 109           HB3      LYS 109 -17.174   1.398   0.690
  850    HG2  LYS 109           HG2      LYS 109 -16.277   0.346  -1.077
  851    HG3  LYS 109           HG3      LYS 109 -17.653   1.240  -1.746
  852    HD2  LYS 109           HD2      LYS 109 -14.686   1.938  -2.022
  853    HD3  LYS 109           HD3      LYS 109 -15.710   1.213  -3.268
  854    HE2  LYS 109           HE2      LYS 109 -17.193   3.291  -3.078
  855    HE3  LYS 109           HE3      LYS 109 -15.908   4.004  -2.091
  856    HZ1  LYS 109           HZ1      LYS 109 -14.408   3.704  -4.007
  857    HZ2  LYS 109           HZ2      LYS 109 -15.624   3.061  -4.895
  858    HZ3  LYS 109           HZ3      LYS 109 -15.697   4.619  -4.433
  859    H    ARG 110           H        ARG 110 -17.462   3.125   2.456
  860    HA   ARG 110           HA       ARG 110 -20.209   2.237   2.634
  861    HB2  ARG 110           HB2      ARG 110 -19.772   1.313   4.548
  862    HB3  ARG 110           HB3      ARG 110 -18.100   1.590   4.082
  863    HG2  ARG 110           HG2      ARG 110 -19.673   3.366   5.998
  864    HG3  ARG 110           HG3      ARG 110 -18.572   2.056   6.454
  865    HD2  ARG 110           HD2      ARG 110 -16.814   3.152   5.009
  866    HD3  ARG 110           HD3      ARG 110 -17.843   4.564   4.920
  867    HE   ARG 110           HE       ARG 110 -16.212   3.656   7.153
  868   HH11  ARG 110          HH11      ARG 110 -19.119   5.586   6.455
  869   HH12  ARG 110          HH12      ARG 110 -19.009   6.525   7.896
  870   HH21  ARG 110          HH21      ARG 110 -16.057   4.930   9.056
  871   HH22  ARG 110          HH22      ARG 110 -17.224   6.150   9.399
  872    H    LEU 111           H        LEU 111 -18.727   5.342   3.046
  873    HA   LEU 111           HA       LEU 111 -20.984   6.672   4.279
  874    HB2  LEU 111           HB2      LEU 111 -18.721   7.508   2.421
  875    HB3  LEU 111           HB3      LEU 111 -20.000   8.604   2.828
  876    HG   LEU 111           HG       LEU 111 -18.195   7.321   4.894
  877   HD11  LEU 111          HD11      LEU 111 -18.065  10.231   4.091
  878   HD12  LEU 111          HD12      LEU 111 -16.788   9.173   4.728
  879   HD13  LEU 111          HD13      LEU 111 -17.282   9.008   3.064
  880   HD21  LEU 111          HD21      LEU 111 -20.363   7.967   5.839
  881   HD22  LEU 111          HD22      LEU 111 -19.134   9.098   6.377
  882   HD23  LEU 111          HD23      LEU 111 -20.264   9.550   5.074
  883    H    ALA 112           H        ALA 112 -19.937   6.318   0.878
  884    HA   ALA 112           HA       ALA 112 -22.102   7.599  -0.304
  885    HB1  ALA 112           HB1      ALA 112 -20.441   5.319  -1.451
  886    HB2  ALA 112           HB2      ALA 112 -21.434   6.457  -2.378
  887    HB3  ALA 112           HB3      ALA 112 -20.024   7.051  -1.470
  888    H    ASN 113           H        ASN 113 -22.213   4.427   1.184
  889    HA   ASN 113           HA       ASN 113 -24.580   3.518  -0.177
  890    HB2  ASN 113           HB2      ASN 113 -24.320   1.725   1.085
  891    HB3  ASN 113           HB3      ASN 113 -22.923   2.469   1.840
  892   HD21  ASN 113          HD21      ASN 113 -23.220   3.517   3.966
  893   HD22  ASN 113          HD22      ASN 113 -24.600   3.096   4.950
  894    H    LEU 114           H        LEU 114 -24.105   5.988   2.284
  895    HA   LEU 114           HA       LEU 114 -26.896   6.166   3.082
  896    HB2  LEU 114           HB2      LEU 114 -24.927   6.675   4.538
  897    HB3  LEU 114           HB3      LEU 114 -24.543   8.050   3.521
  898    HG   LEU 114           HG       LEU 114 -25.662   8.438   5.753
  899   HD11  LEU 114          HD11      LEU 114 -26.855  10.386   5.068
  900   HD12  LEU 114          HD12      LEU 114 -25.421  10.202   4.045
  901   HD13  LEU 114          HD13      LEU 114 -27.031   9.795   3.415
  902   HD21  LEU 114          HD21      LEU 114 -28.056   8.314   5.967
  903   HD22  LEU 114          HD22      LEU 114 -28.227   7.683   4.314
  904   HD23  LEU 114          HD23      LEU 114 -27.423   6.711   5.572
  905    H    GLU 115           H        GLU 115 -24.735   7.712   0.748
  906    HA   GLU 115           HA       GLU 115 -26.117  10.075   0.193
  907    HB2  GLU 115           HB2      GLU 115 -23.812   9.489  -0.557
  908    HB3  GLU 115           HB3      GLU 115 -24.498   8.408  -1.770
  909    HG2  GLU 115           HG2      GLU 115 -25.684  10.328  -2.818
  910    HG3  GLU 115           HG3      GLU 115 -25.014  11.401  -1.583
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1   3.332   2.889  12.651
    2    H2   MET   1           H2       MET   1   4.612   3.670  13.341
    3    H3   MET   1           H3       MET   1   3.221   4.475  13.012
    4    HA   MET   1           HA       MET   1   4.880   5.039  11.393
    5    HB2  MET   1           HB2      MET   1   4.851   2.038  10.823
    6    HB3  MET   1           HB3      MET   1   5.532   3.253   9.734
    7    HG2  MET   1           HG2      MET   1   7.074   4.010  11.533
    8    HG3  MET   1           HG3      MET   1   6.473   2.704  12.565
    9    HE1  MET   1           HE1      MET   1  10.117   1.548  11.660
   10    HE2  MET   1           HE2      MET   1   9.555   3.215  11.917
   11    HE3  MET   1           HE3      MET   1   8.968   1.903  12.971
   12    H    VAL   2           H        VAL   2   4.344   5.291   9.052
   13    HA   VAL   2           HA       VAL   2   1.748   4.384   8.133
   14    HB   VAL   2           HB       VAL   2   1.181   6.335   9.519
   15   HG11  VAL   2          HG11      VAL   2   1.815   8.633   8.863
   16   HG12  VAL   2          HG12      VAL   2   3.201   7.676   9.405
   17   HG13  VAL   2          HG13      VAL   2   2.949   7.967   7.669
   18   HG21  VAL   2          HG21      VAL   2  -0.138   5.794   7.435
   19   HG22  VAL   2          HG22      VAL   2  -0.273   7.452   8.031
   20   HG23  VAL   2          HG23      VAL   2   0.734   7.116   6.625
   21    H    ASP   3           H        ASP   3   1.497   5.468   5.787
   22    HA   ASP   3           HA       ASP   3   4.070   5.744   4.397
   23    HB2  ASP   3           HB2      ASP   3   3.580   3.286   4.525
   24    HB3  ASP   3           HB3      ASP   3   2.020   3.579   3.761
   25    H    LEU   4           H        LEU   4   3.446   6.096   1.963
   26    HA   LEU   4           HA       LEU   4   2.129   8.508   1.838
   27    HB2  LEU   4           HB2      LEU   4   3.901   7.500   0.319
   28    HB3  LEU   4           HB3      LEU   4   2.609   6.620  -0.500
   29    HG   LEU   4           HG       LEU   4   1.599   8.772  -1.225
   30   HD11  LEU   4          HD11      LEU   4   3.937  10.022   0.301
   31   HD12  LEU   4          HD12      LEU   4   2.945  10.885  -0.897
   32   HD13  LEU   4          HD13      LEU   4   2.206  10.288   0.594
   33   HD21  LEU   4          HD21      LEU   4   4.585   8.583  -1.806
   34   HD22  LEU   4          HD22      LEU   4   3.288   7.686  -2.629
   35   HD23  LEU   4          HD23      LEU   4   3.369   9.444  -2.781
   36    H    GLU   5           H        GLU   5   0.580   5.481   1.894
   37    HA   GLU   5           HA       GLU   5  -1.841   5.952   0.443
   38    HB2  GLU   5           HB2      GLU   5  -1.191   4.388   2.992
   39    HB3  GLU   5           HB3      GLU   5  -2.769   4.358   2.199
   40    HG2  GLU   5           HG2      GLU   5  -1.648   3.554   0.089
   41    HG3  GLU   5           HG3      GLU   5  -0.135   3.423   0.979
   42    H    GLN   6           H        GLN   6  -0.660   7.054   3.608
   43    HA   GLN   6           HA       GLN   6  -3.213   8.525   4.067
   44    HB2  GLN   6           HB2      GLN   6  -1.830   6.554   5.920
   45    HB3  GLN   6           HB3      GLN   6  -2.819   7.894   6.574
   46    HG2  GLN   6           HG2      GLN   6  -4.669   7.269   5.108
   47    HG3  GLN   6           HG3      GLN   6  -3.720   5.914   4.464
   48   HE21  GLN   6          HE21      GLN   6  -5.859   4.895   5.077
   49   HE22  GLN   6          HE22      GLN   6  -6.044   4.252   6.685
   50    H    GLU   7           H        GLU   7   0.268   8.626   4.119
   51    HA   GLU   7           HA       GLU   7   0.409  11.104   5.645
   52    HB2  GLU   7           HB2      GLU   7   2.146  10.063   3.335
   53    HB3  GLU   7           HB3      GLU   7   2.457  11.525   4.251
   54    HG2  GLU   7           HG2      GLU   7   2.537  10.160   6.355
   55    HG3  GLU   7           HG3      GLU   7   2.402   8.698   5.363
   56    H    PHE   8           H        PHE   8  -0.796  12.897   4.971
   57    HA   PHE   8           HA       PHE   8  -1.864  13.453   2.481
   58    HB2  PHE   8           HB2      PHE   8  -1.486  15.780   2.857
   59    HB3  PHE   8           HB3      PHE   8  -2.085  15.092   4.367
   60    HD1  PHE   8           HD1      PHE   8  -0.108  14.449   6.143
   61    HD2  PHE   8           HD2      PHE   8   0.471  17.038   2.745
   62    HE1  PHE   8           HE1      PHE   8   1.977  15.315   7.150
   63    HE2  PHE   8           HE2      PHE   8   2.582  17.871   3.738
   64    HZ   PHE   8           HZ       PHE   8   3.341  16.999   5.948
   65    H    ALA   9           H        ALA   9  -1.056  14.238   0.528
   66    HA   ALA   9           HA       ALA   9   1.847  14.984   0.493
   67    HB1  ALA   9           HB1      ALA   9   0.210  13.038  -1.143
   68    HB2  ALA   9           HB2      ALA   9   1.837  13.617  -1.667
   69    HB3  ALA   9           HB3      ALA   9   1.619  12.685  -0.146
   70    H    LEU  10           H        LEU  10   2.109  16.919  -0.436
   71    HA   LEU  10           HA       LEU  10  -0.007  18.433  -1.627
   72    HB2  LEU  10           HB2      LEU  10   1.813  19.876  -2.481
   73    HB3  LEU  10           HB3      LEU  10   1.716  19.681  -0.737
   74    HG   LEU  10           HG       LEU  10   3.714  18.385  -0.651
   75   HD11  LEU  10          HD11      LEU  10   3.631  18.293  -3.685
   76   HD12  LEU  10          HD12      LEU  10   5.111  18.004  -2.757
   77   HD13  LEU  10          HD13      LEU  10   3.729  16.940  -2.535
   78   HD21  LEU  10          HD21      LEU  10   3.962  20.816  -0.765
   79   HD22  LEU  10          HD22      LEU  10   5.333  20.029  -1.554
   80   HD23  LEU  10          HD23      LEU  10   4.044  20.751  -2.535
   81    H    GLY  11           H        GLY  11   1.693  15.827  -2.791
   82    HA2  GLY  11           HA2      GLY  11   0.579  16.273  -5.494
   83    HA3  GLY  11           HA3      GLY  11   2.131  15.429  -5.234
   84    H    GLY  12           H        GLY  12  -0.347  14.729  -2.808
   85    HA2  GLY  12           HA2      GLY  12  -0.938  12.124  -4.072
   86    HA3  GLY  12           HA3      GLY  12  -1.410  12.728  -2.486
   87    H    ARG  13           H        ARG  13  -3.426  12.249  -2.783
   88    HA   ARG  13           HA       ARG  13  -5.121  14.366  -3.819
   89    HB2  ARG  13           HB2      ARG  13  -5.388  11.383  -4.414
   90    HB3  ARG  13           HB3      ARG  13  -6.810  12.421  -4.228
   91    HG2  ARG  13           HG2      ARG  13  -6.288  13.695  -6.141
   92    HG3  ARG  13           HG3      ARG  13  -4.666  12.960  -6.309
   93    HD2  ARG  13           HD2      ARG  13  -5.557  10.817  -6.810
   94    HD3  ARG  13           HD3      ARG  13  -7.131  11.221  -6.154
   95    HE   ARG  13           HE       ARG  13  -5.991  12.348  -8.697
   96   HH11  ARG  13          HH11      ARG  13  -8.836  11.027  -6.987
   97   HH12  ARG  13          HH12      ARG  13  -9.913  11.313  -8.300
   98   HH21  ARG  13          HH21      ARG  13  -7.439  12.695 -10.438
   99   HH22  ARG  13          HH22      ARG  13  -9.097  12.249 -10.305
  100    H    CYS  14           H        CYS  14  -7.042  14.130  -2.495
  101    HA   CYS  14           HA       CYS  14  -6.653  12.635   0.032
  102    HB2  CYS  14           HB2      CYS  14  -6.731  15.607  -0.358
  103    HB3  CYS  14           HB3      CYS  14  -7.642  14.910   0.992
  104    HG   CYS  14           HG       CYS  14  -5.371  15.720   1.888
  105    H    LEU  15           H        LEU  15  -8.636  13.069   1.376
  106    HA   LEU  15           HA       LEU  15 -11.211  13.346  -0.077
  107    HB2  LEU  15           HB2      LEU  15 -10.495  11.309   2.110
  108    HB3  LEU  15           HB3      LEU  15 -12.091  11.676   1.558
  109    HG   LEU  15           HG       LEU  15 -11.682   9.697   0.578
  110   HD11  LEU  15          HD11      LEU  15 -10.713  11.450  -1.706
  111   HD12  LEU  15          HD12      LEU  15 -11.664   9.960  -1.787
  112   HD13  LEU  15          HD13      LEU  15 -12.361  11.460  -1.135
  113   HD21  LEU  15          HD21      LEU  15  -8.912  10.478  -0.388
  114   HD22  LEU  15          HD22      LEU  15  -9.229   9.696   1.172
  115   HD23  LEU  15          HD23      LEU  15  -9.656   8.864  -0.315
  116    H    ALA  16           H        ALA  16 -12.501  14.741   1.194
  117    HA   ALA  16           HA       ALA  16 -11.624  15.125   3.979
  118    HB1  ALA  16           HB1      ALA  16 -10.551  17.032   3.012
  119    HB2  ALA  16           HB2      ALA  16 -11.976  17.419   2.011
  120    HB3  ALA  16           HB3      ALA  16 -12.009  17.619   3.785
  121    H    PHE  17           H        PHE  17 -13.040  15.146   5.354
  122    HA   PHE  17           HA       PHE  17 -15.738  14.300   4.594
  123    HB2  PHE  17           HB2      PHE  17 -13.720  13.471   6.428
  124    HB3  PHE  17           HB3      PHE  17 -14.964  14.173   7.441
  125    HD1  PHE  17           HD1      PHE  17 -17.505  13.255   6.209
  126    HD2  PHE  17           HD2      PHE  17 -13.704  11.221   6.589
  127    HE1  PHE  17           HE1      PHE  17 -18.653  11.110   6.265
  128    HE2  PHE  17           HE2      PHE  17 -14.900   9.049   6.617
  129    HZ   PHE  17           HZ       PHE  17 -17.349   8.979   6.498
  130    H    HIS  18           H        HIS  18 -17.588  15.383   5.211
  131    HA   HIS  18           HA       HIS  18 -17.302  17.893   6.843
  132    HB2  HIS  18           HB2      HIS  18 -19.566  16.962   5.040
  133    HB3  HIS  18           HB3      HIS  18 -19.550  18.448   5.992
  134    HD2  HIS  18           HD2      HIS  18 -16.256  18.934   4.972
  135    HE1  HIS  18           HE1      HIS  18 -18.275  19.819   1.332
  136    HE2  HIS  18           HE2      HIS  18 -16.068  20.034   2.624
  137    H    GLY  19           H        GLY  19 -19.165  14.871   6.430
  138    HA2  GLY  19           HA2      GLY  19 -19.428  13.821   8.833
  139    HA3  GLY  19           HA3      GLY  19 -20.496  15.213   9.056
  140    HA   PRO  20           HA       PRO  20 -23.800  13.308   6.684
  141    HB2  PRO  20           HB2      PRO  20 -23.528  15.458   4.576
  142    HB3  PRO  20           HB3      PRO  20 -25.007  14.851   5.391
  143    HG2  PRO  20           HG2      PRO  20 -23.896  17.203   6.154
  144    HG3  PRO  20           HG3      PRO  20 -24.498  16.046   7.388
  145    HD2  PRO  20           HD2      PRO  20 -21.650  16.507   6.470
  146    HD3  PRO  20           HD3      PRO  20 -22.287  16.291   8.129
  147    H    LEU  21           H        LEU  21 -21.208  14.618   4.489
  148    HA   LEU  21           HA       LEU  21 -20.562  11.924   3.705
  149    HB2  LEU  21           HB2      LEU  21 -22.246  13.521   2.019
  150    HB3  LEU  21           HB3      LEU  21 -20.674  13.623   1.285
  151    HG   LEU  21           HG       LEU  21 -21.152  10.874   2.087
  152   HD11  LEU  21          HD11      LEU  21 -23.352  12.005   0.392
  153   HD12  LEU  21          HD12      LEU  21 -23.082  10.285   0.810
  154   HD13  LEU  21          HD13      LEU  21 -23.474  11.442   2.087
  155   HD21  LEU  21          HD21      LEU  21 -20.908  10.389  -0.337
  156   HD22  LEU  21          HD22      LEU  21 -20.865  12.144  -0.644
  157   HD23  LEU  21          HD23      LEU  21 -19.585  11.343   0.316
  158    H    MET  22           H        MET  22 -18.788  12.382   1.742
  159    HA   MET  22           HA       MET  22 -16.776  14.311   2.710
  160    HB2  MET  22           HB2      MET  22 -16.141  12.145   3.640
  161    HB3  MET  22           HB3      MET  22 -16.576  11.315   2.153
  162    HG2  MET  22           HG2      MET  22 -14.236  13.219   2.375
  163    HG3  MET  22           HG3      MET  22 -14.165  11.492   2.545
  164    HE1  MET  22           HE1      MET  22 -15.872  10.197   0.272
  165    HE2  MET  22           HE2      MET  22 -14.433  10.002  -0.797
  166    HE3  MET  22           HE3      MET  22 -14.258   9.758   0.945
  167    H    TYR  23           H        TYR  23 -15.364  14.909   0.918
  168    HA   TYR  23           HA       TYR  23 -16.192  14.039  -1.771
  169    HB2  TYR  23           HB2      TYR  23 -15.979  16.984  -1.050
  170    HB3  TYR  23           HB3      TYR  23 -16.337  16.313  -2.638
  171    HD1  TYR  23           HD1      TYR  23 -18.446  14.407  -2.367
  172    HD2  TYR  23           HD2      TYR  23 -17.809  17.959  -0.011
  173    HE1  TYR  23           HE1      TYR  23 -20.790  14.306  -1.581
  174    HE2  TYR  23           HE2      TYR  23 -20.189  17.923   0.694
  175    HH   TYR  23           HH       TYR  23 -22.415  15.267  -0.300
  176    H    GLU  24           H        GLU  24 -14.470  14.233  -3.298
  177    HA   GLU  24           HA       GLU  24 -11.938  13.628  -2.162
  178    HB2  GLU  24           HB2      GLU  24 -12.741  14.472  -5.005
  179    HB3  GLU  24           HB3      GLU  24 -11.119  13.977  -4.556
  180    HG2  GLU  24           HG2      GLU  24 -11.842  12.031  -5.404
  181    HG3  GLU  24           HG3      GLU  24 -12.291  11.767  -3.724
  182    H    ALA  25           H        ALA  25  -9.969  14.733  -2.316
  183    HA   ALA  25           HA       ALA  25 -10.179  17.649  -2.393
  184    HB1  ALA  25           HB1      ALA  25 -10.342  17.186  -0.067
  185    HB2  ALA  25           HB2      ALA  25  -9.155  15.900  -0.136
  186    HB3  ALA  25           HB3      ALA  25  -8.635  17.577  -0.300
  187    H    LYS  26           H        LYS  26  -8.125  18.631  -3.067
  188    HA   LYS  26           HA       LYS  26  -6.003  16.762  -4.039
  189    HB2  LYS  26           HB2      LYS  26  -7.642  17.385  -5.889
  190    HB3  LYS  26           HB3      LYS  26  -7.154  19.055  -5.670
  191    HG2  LYS  26           HG2      LYS  26  -4.684  17.947  -5.960
  192    HG3  LYS  26           HG3      LYS  26  -5.642  16.716  -6.789
  193    HD2  LYS  26           HD2      LYS  26  -4.868  18.247  -8.433
  194    HD3  LYS  26           HD3      LYS  26  -6.605  18.560  -8.240
  195    HE2  LYS  26           HE2      LYS  26  -6.110  20.544  -6.840
  196    HE3  LYS  26           HE3      LYS  26  -4.384  20.165  -6.865
  197    HZ1  LYS  26           HZ1      LYS  26  -4.975  21.912  -8.431
  198    HZ2  LYS  26           HZ2      LYS  26  -4.312  20.653  -9.185
  199    HZ3  LYS  26           HZ3      LYS  26  -5.946  20.881  -9.274
  200    H    ILE  27           H        ILE  27  -4.571  17.383  -2.468
  201    HA   ILE  27           HA       ILE  27  -4.432  19.970  -1.328
  202    HB   ILE  27           HB       ILE  27  -2.306  17.785  -1.436
  203   HG12  ILE  27          HG12      ILE  27  -4.213  18.255   0.865
  204   HG13  ILE  27          HG13      ILE  27  -4.636  17.133  -0.408
  205   HG21  ILE  27          HG21      ILE  27  -2.704  20.119   0.529
  206   HG22  ILE  27          HG22      ILE  27  -1.528  18.809   0.736
  207   HG23  ILE  27          HG23      ILE  27  -1.355  19.929  -0.600
  208   HD11  ILE  27          HD11      ILE  27  -3.488  16.318   1.782
  209   HD12  ILE  27          HD12      ILE  27  -3.036  15.565   0.185
  210   HD13  ILE  27          HD13      ILE  27  -1.977  16.736   0.949
  211    H    LEU  28           H        LEU  28  -3.173  21.729  -1.757
  212    HA   LEU  28           HA       LEU  28  -0.904  21.535  -3.664
  213    HB2  LEU  28           HB2      LEU  28  -2.847  22.305  -4.848
  214    HB3  LEU  28           HB3      LEU  28  -3.322  23.404  -3.567
  215    HG   LEU  28           HG       LEU  28  -0.801  23.845  -5.236
  216   HD11  LEU  28          HD11      LEU  28  -2.419  25.392  -6.465
  217   HD12  LEU  28          HD12      LEU  28  -2.730  23.662  -6.638
  218   HD13  LEU  28          HD13      LEU  28  -3.721  24.627  -5.528
  219   HD21  LEU  28          HD21      LEU  28  -1.242  26.263  -4.605
  220   HD22  LEU  28          HD22      LEU  28  -2.500  25.724  -3.477
  221   HD23  LEU  28          HD23      LEU  28  -0.789  25.286  -3.225
  222    H    LYS  29           H        LYS  29  -2.607  23.684  -1.293
  223    HA   LYS  29           HA       LYS  29   0.075  24.748  -0.616
  224    HB2  LYS  29           HB2      LYS  29  -2.366  26.017  -1.207
  225    HB3  LYS  29           HB3      LYS  29  -2.217  26.179   0.537
  226    HG2  LYS  29           HG2      LYS  29  -0.537  27.666   0.395
  227    HG3  LYS  29           HG3      LYS  29   0.248  26.889  -0.962
  228    HD2  LYS  29           HD2      LYS  29  -0.516  29.017  -1.712
  229    HD3  LYS  29           HD3      LYS  29  -1.543  27.806  -2.485
  230    HE2  LYS  29           HE2      LYS  29  -3.247  28.177  -0.615
  231    HE3  LYS  29           HE3      LYS  29  -2.150  29.457  -0.027
  232    HZ1  LYS  29           HZ1      LYS  29  -3.727  29.479  -2.542
  233    HZ2  LYS  29           HZ2      LYS  29  -3.694  30.592  -1.322
  234    HZ3  LYS  29           HZ3      LYS  29  -2.431  30.465  -2.312
  235    H    ILE  30           H        ILE  30   1.018  24.056   1.233
  236    HA   ILE  30           HA       ILE  30  -0.789  22.790   3.230
  237    HB   ILE  30           HB       ILE  30   0.618  21.131   3.786
  238   HG12  ILE  30          HG12      ILE  30   2.872  21.837   3.649
  239   HG13  ILE  30          HG13      ILE  30   2.677  20.443   2.580
  240   HG21  ILE  30          HG21      ILE  30   0.540  21.124   0.731
  241   HG22  ILE  30          HG22      ILE  30   0.403  19.750   1.845
  242   HG23  ILE  30          HG23      ILE  30  -0.862  21.011   1.750
  243   HD11  ILE  30          HD11      ILE  30   4.000  22.140   1.465
  244   HD12  ILE  30          HD12      ILE  30   2.416  22.036   0.647
  245   HD13  ILE  30          HD13      ILE  30   2.723  23.345   1.805
  246    H    TRP  31           H        TRP  31  -1.115  24.175   4.399
  247    HA   TRP  31           HA       TRP  31   0.756  26.168   5.592
  248    HB2  TRP  31           HB2      TRP  31  -1.407  27.004   5.507
  249    HB3  TRP  31           HB3      TRP  31  -2.119  25.485   5.977
  250    HD1  TRP  31           HD1      TRP  31  -1.902  24.874   8.708
  251    HE1  TRP  31           HE1      TRP  31  -2.151  26.452  10.711
  252    HE3  TRP  31           HE3      TRP  31  -0.794  29.317   6.409
  253    HZ2  TRP  31           HZ2      TRP  31  -1.958  29.231  11.241
  254    HZ3  TRP  31           HZ3      TRP  31  -0.916  31.430   7.705
  255    HH2  TRP  31           HH2      TRP  31  -1.532  31.396  10.120
  256    H    ASP  32           H        ASP  32   1.466  26.134   7.751
  257    HA   ASP  32           HA       ASP  32   1.393  23.624   9.196
  258    HB2  ASP  32           HB2      ASP  32   3.197  23.394   7.459
  259    HB3  ASP  32           HB3      ASP  32   4.046  24.746   8.208
  260    HA   PRO  33           HA       PRO  33   1.296  27.166  11.974
  261    HB2  PRO  33           HB2      PRO  33   1.307  25.747  14.413
  262    HB3  PRO  33           HB3      PRO  33  -0.114  26.171  13.427
  263    HG2  PRO  33           HG2      PRO  33   1.524  23.619  13.403
  264    HG3  PRO  33           HG3      PRO  33  -0.267  23.780  13.374
  265    HD2  PRO  33           HD2      PRO  33   1.140  23.229  11.187
  266    HD3  PRO  33           HD3      PRO  33  -0.234  24.385  11.108
  267    H    SER  34           H        SER  34   3.920  25.012  11.658
  268    HA   SER  34           HA       SER  34   5.654  25.908  13.783
  269    HB2  SER  34           HB2      SER  34   6.461  24.886  11.031
  270    HB3  SER  34           HB3      SER  34   7.444  24.907  12.503
  271    HG   SER  34           HG       SER  34   5.194  23.345  11.834
  272    H    SER  35           H        SER  35   4.683  27.267  10.682
  273    HA   SER  35           HA       SER  35   6.315  29.702  11.278
  274    HB2  SER  35           HB2      SER  35   5.518  28.677   8.536
  275    HB3  SER  35           HB3      SER  35   6.594  30.032   8.903
  276    HG   SER  35           HG       SER  35   8.095  28.559   9.751
  277    H    LYS  36           H        LYS  36   3.158  28.358  10.741
  278    HA   LYS  36           HA       LYS  36   1.155  29.154  10.289
  279    HB2  LYS  36           HB2      LYS  36   2.152  31.489  11.942
  280    HB3  LYS  36           HB3      LYS  36   0.540  31.500  11.259
  281    HG2  LYS  36           HG2      LYS  36  -0.258  29.727  12.516
  282    HG3  LYS  36           HG3      LYS  36   1.339  29.048  12.799
  283    HD2  LYS  36           HD2      LYS  36   0.439  31.659  14.048
  284    HD3  LYS  36           HD3      LYS  36   0.306  30.065  14.828
  285    HE2  LYS  36           HE2      LYS  36   2.743  29.707  14.553
  286    HE3  LYS  36           HE3      LYS  36   2.904  31.298  13.800
  287    HZ1  LYS  36           HZ1      LYS  36   2.022  30.809  16.593
  288    HZ2  LYS  36           HZ2      LYS  36   3.488  31.364  16.136
  289    HZ3  LYS  36           HZ3      LYS  36   2.163  32.288  15.896
  290    H    MET  37           H        MET  37   2.719  29.162   8.276
  291    HA   MET  37           HA       MET  37   1.535  31.076   6.467
  292    HB2  MET  37           HB2      MET  37   4.545  30.618   6.559
  293    HB3  MET  37           HB3      MET  37   3.686  31.478   5.277
  294    HG2  MET  37           HG2      MET  37   2.891  33.145   7.001
  295    HG3  MET  37           HG3      MET  37   3.944  32.351   8.170
  296    HE1  MET  37           HE1      MET  37   6.549  31.765   7.203
  297    HE2  MET  37           HE2      MET  37   6.185  31.865   5.480
  298    HE3  MET  37           HE3      MET  37   7.427  32.924   6.133
  299    H    TYR  38           H        TYR  38   2.431  30.100   4.165
  300    HA   TYR  38           HA       TYR  38   1.857  27.187   4.350
  301    HB2  TYR  38           HB2      TYR  38   0.545  27.501   2.352
  302    HB3  TYR  38           HB3      TYR  38   0.029  28.565   3.656
  303    HD1  TYR  38           HD1      TYR  38   1.848  28.545   0.385
  304    HD2  TYR  38           HD2      TYR  38   0.315  30.899   3.642
  305    HE1  TYR  38           HE1      TYR  38   2.019  30.570  -1.023
  306    HE2  TYR  38           HE2      TYR  38   0.686  32.954   2.304
  307    HH   TYR  38           HH       TYR  38   1.274  33.853   0.368
  308    H    THR  39           H        THR  39   2.167  26.506   1.735
  309    HA   THR  39           HA       THR  39   4.716  27.014   0.667
  310    HB   THR  39           HB       THR  39   5.021  24.254   1.366
  311    HG1  THR  39           HG1      THR  39   3.734  24.711   3.292
  312   HG21  THR  39          HG21      THR  39   7.068  25.153   2.544
  313   HG22  THR  39          HG22      THR  39   6.841  25.666   0.856
  314   HG23  THR  39          HG23      THR  39   6.438  26.790   2.174
  315    H    SER  40           H        SER  40   4.838  25.684  -1.362
  316    HA   SER  40           HA       SER  40   2.681  23.823  -1.953
  317    HB2  SER  40           HB2      SER  40   1.220  25.513  -2.146
  318    HB3  SER  40           HB3      SER  40   2.424  26.711  -2.555
  319    HG   SER  40           HG       SER  40   1.005  26.278  -4.279
  320    H    ILE  41           H        ILE  41   2.626  23.530  -4.396
  321    HA   ILE  41           HA       ILE  41   5.053  24.005  -5.863
  322    HB   ILE  41           HB       ILE  41   5.301  21.665  -6.636
  323   HG12  ILE  41          HG12      ILE  41   4.404  19.877  -4.967
  324   HG13  ILE  41          HG13      ILE  41   3.099  21.026  -4.675
  325   HG21  ILE  41          HG21      ILE  41   5.664  21.896  -3.635
  326   HG22  ILE  41          HG22      ILE  41   6.546  20.843  -4.756
  327   HG23  ILE  41          HG23      ILE  41   6.726  22.599  -4.862
  328   HD11  ILE  41          HD11      ILE  41   2.498  19.374  -6.385
  329   HD12  ILE  41          HD12      ILE  41   2.609  20.960  -7.160
  330   HD13  ILE  41          HD13      ILE  41   3.928  19.793  -7.350
  331    HA   PRO  42           HA       PRO  42   1.930  24.979  -8.623
  332    HB2  PRO  42           HB2      PRO  42   3.021  24.797 -11.127
  333    HB3  PRO  42           HB3      PRO  42   3.534  25.950  -9.872
  334    HG2  PRO  42           HG2      PRO  42   4.731  23.202 -10.407
  335    HG3  PRO  42           HG3      PRO  42   5.571  24.795 -10.358
  336    HD2  PRO  42           HD2      PRO  42   5.545  23.346  -8.122
  337    HD3  PRO  42           HD3      PRO  42   5.026  25.063  -8.011
  338    H    ASN  43           H        ASN  43   0.746  22.969  -7.707
  339    HA   ASN  43           HA       ASN  43   0.093  20.844  -9.596
  340    HB2  ASN  43           HB2      ASN  43   0.251  20.688  -7.011
  341    HB3  ASN  43           HB3      ASN  43  -1.299  21.517  -6.976
  342   HD21  ASN  43          HD21      ASN  43  -1.983  19.425  -5.794
  343   HD22  ASN  43          HD22      ASN  43  -2.384  18.058  -6.786
  344    H    ASP  44           H        ASP  44  -0.805  23.940  -9.601
  345    HA   ASP  44           HA       ASP  44  -2.329  25.246 -10.513
  346    HB2  ASP  44           HB2      ASP  44  -2.312  23.788 -12.461
  347    HB3  ASP  44           HB3      ASP  44  -3.585  22.787 -11.753
  348    H    LYS  45           H        LYS  45  -4.370  26.122 -10.403
  349    HA   LYS  45           HA       LYS  45  -6.061  26.974  -9.272
  350    HB2  LYS  45           HB2      LYS  45  -6.738  24.219  -8.219
  351    HB3  LYS  45           HB3      LYS  45  -7.778  25.643  -8.346
  352    HG2  LYS  45           HG2      LYS  45  -7.333  25.680 -10.834
  353    HG3  LYS  45           HG3      LYS  45  -6.494  24.131 -10.644
  354    HD2  LYS  45           HD2      LYS  45  -8.535  23.018  -9.979
  355    HD3  LYS  45           HD3      LYS  45  -9.402  24.573  -9.938
  356    HE2  LYS  45           HE2      LYS  45  -9.899  23.348 -12.020
  357    HE3  LYS  45           HE3      LYS  45  -9.090  24.890 -12.331
  358    HZ1  LYS  45           HZ1      LYS  45  -8.187  23.123 -13.697
  359    HZ2  LYS  45           HZ2      LYS  45  -7.016  23.695 -12.712
  360    HZ3  LYS  45           HZ3      LYS  45  -7.747  22.256 -12.389
  361    HA   PRO  46           HA       PRO  46  -3.462  27.398  -5.382
  362    HB2  PRO  46           HB2      PRO  46  -2.706  30.015  -5.935
  363    HB3  PRO  46           HB3      PRO  46  -1.726  28.590  -6.384
  364    HG2  PRO  46           HG2      PRO  46  -3.701  30.170  -8.078
  365    HG3  PRO  46           HG3      PRO  46  -2.060  29.639  -8.539
  366    HD2  PRO  46           HD2      PRO  46  -4.249  28.275  -9.309
  367    HD3  PRO  46           HD3      PRO  46  -2.781  27.395  -8.810
  368    H    GLY  47           H        GLY  47  -5.998  28.993  -7.121
  369    HA2  GLY  47           HA2      GLY  47  -7.589  29.984  -5.095
  370    HA3  GLY  47           HA3      GLY  47  -6.366  31.241  -5.424
  371    H    GLY  48           H        GLY  48  -5.992  30.634  -8.233
  372    HA2  GLY  48           HA2      GLY  48  -8.549  30.578  -9.606
  373    HA3  GLY  48           HA3      GLY  48  -7.563  32.043  -9.847
  374    H    SER  49           H        SER  49  -8.247  29.421 -11.408
  375    HA   SER  49           HA       SER  49  -6.070  27.769 -11.748
  376    HB2  SER  49           HB2      SER  49  -8.045  28.514 -13.937
  377    HB3  SER  49           HB3      SER  49  -7.245  26.954 -13.672
  378    HG   SER  49           HG       SER  49  -9.518  27.187 -12.938
  379    H    SER  50           H        SER  50  -4.287  27.731 -12.924
  380    HA   SER  50           HA       SER  50  -3.672  28.701 -15.389
  381    HB2  SER  50           HB2      SER  50  -2.681  30.623 -13.224
  382    HB3  SER  50           HB3      SER  50  -1.812  30.387 -14.747
  383    HG   SER  50           HG       SER  50  -4.542  31.121 -14.566
  384    H    GLN  51           H        GLN  51  -1.751  28.950 -12.370
  385    HA   GLN  51           HA       GLN  51  -1.279  26.319 -11.944
  386    HB2  GLN  51           HB2      GLN  51   0.426  27.053 -14.069
  387    HB3  GLN  51           HB3      GLN  51   1.449  27.205 -12.629
  388    HG2  GLN  51           HG2      GLN  51   0.791  24.940 -11.899
  389    HG3  GLN  51           HG3      GLN  51  -0.289  24.770 -13.282
  390   HE21  GLN  51          HE21      GLN  51   2.008  23.041 -12.537
  391   HE22  GLN  51          HE22      GLN  51   3.041  23.039 -13.953
  392    H    ALA  52           H        ALA  52   0.083  26.110 -10.055
  393    HA   ALA  52           HA       ALA  52  -0.019  28.523  -8.361
  394    HB1  ALA  52           HB1      ALA  52   0.378  26.873  -6.555
  395    HB2  ALA  52           HB2      ALA  52  -1.112  26.668  -7.522
  396    HB3  ALA  52           HB3      ALA  52   0.247  25.586  -7.793
  397    H    THR  53           H        THR  53   1.632  29.076  -9.920
  398    HA   THR  53           HA       THR  53   3.657  29.891 -10.355
  399    HB   THR  53           HB       THR  53   3.919  29.761  -7.350
  400    HG1  THR  53           HG1      THR  53   2.743  31.663  -7.393
  401   HG21  THR  53          HG21      THR  53   5.057  31.619  -9.479
  402   HG22  THR  53          HG22      THR  53   5.189  31.885  -7.712
  403   HG23  THR  53          HG23      THR  53   5.961  30.486  -8.469
  404    H    LYS  54           H        LYS  54   5.052  28.073  -7.633
  405    HA   LYS  54           HA       LYS  54   6.753  26.358  -9.196
  406    HB2  LYS  54           HB2      LYS  54   7.605  28.945  -9.359
  407    HB3  LYS  54           HB3      LYS  54   8.294  28.532  -7.789
  408    HG2  LYS  54           HG2      LYS  54   9.365  26.524  -8.929
  409    HG3  LYS  54           HG3      LYS  54   8.711  27.113 -10.468
  410    HD2  LYS  54           HD2      LYS  54  10.922  27.911 -10.472
  411    HD3  LYS  54           HD3      LYS  54   9.985  29.308  -9.935
  412    HE2  LYS  54           HE2      LYS  54  11.741  29.267  -8.379
  413    HE3  LYS  54           HE3      LYS  54  10.433  28.412  -7.530
  414    HZ1  LYS  54           HZ1      LYS  54  11.464  26.321  -8.072
  415    HZ2  LYS  54           HZ2      LYS  54  12.628  27.053  -8.972
  416    HZ3  LYS  54           HZ3      LYS  54  12.571  27.272  -7.354
  417    H    GLU  55           H        GLU  55   8.800  26.081  -7.148
  418    HA   GLU  55           HA       GLU  55   7.333  25.011  -4.908
  419    HB2  GLU  55           HB2      GLU  55  10.285  25.773  -5.085
  420    HB3  GLU  55           HB3      GLU  55   9.509  24.893  -3.777
  421    HG2  GLU  55           HG2      GLU  55  10.612  23.272  -5.094
  422    HG3  GLU  55           HG3      GLU  55   8.889  23.081  -5.389
  423    H    ILE  56           H        ILE  56   6.044  26.431  -3.817
  424    HA   ILE  56           HA       ILE  56   6.732  29.242  -3.782
  425    HB   ILE  56           HB       ILE  56   4.447  28.053  -2.180
  426   HG12  ILE  56          HG12      ILE  56   4.556  28.671  -5.156
  427   HG13  ILE  56          HG13      ILE  56   4.079  27.158  -4.375
  428   HG21  ILE  56          HG21      ILE  56   4.956  30.765  -3.516
  429   HG22  ILE  56          HG22      ILE  56   3.528  30.347  -2.556
  430   HG23  ILE  56          HG23      ILE  56   5.091  30.423  -1.780
  431   HD11  ILE  56          HD11      ILE  56   2.528  29.740  -4.591
  432   HD12  ILE  56          HD12      ILE  56   2.096  28.104  -5.121
  433   HD13  ILE  56          HD13      ILE  56   2.076  28.534  -3.364
  434    H    LYS  57           H        LYS  57   7.747  30.316  -2.171
  435    HA   LYS  57           HA       LYS  57   8.972  28.820   0.038
  436    HB2  LYS  57           HB2      LYS  57   8.976  31.809  -0.625
  437    HB3  LYS  57           HB3      LYS  57  10.003  31.021   0.562
  438    HG2  LYS  57           HG2      LYS  57  10.111  30.734  -2.468
  439    HG3  LYS  57           HG3      LYS  57  11.300  31.496  -1.424
  440    HD2  LYS  57           HD2      LYS  57  10.672  28.517  -1.567
  441    HD3  LYS  57           HD3      LYS  57  12.096  29.338  -2.224
  442    HE2  LYS  57           HE2      LYS  57  12.720  30.055   0.100
  443    HE3  LYS  57           HE3      LYS  57  11.336  29.153   0.725
  444    HZ1  LYS  57           HZ1      LYS  57  13.380  27.875   0.868
  445    HZ2  LYS  57           HZ2      LYS  57  12.342  27.127  -0.149
  446    HZ3  LYS  57           HZ3      LYS  57  13.619  27.964  -0.743
  447    HA   PRO  58           HA       PRO  58   5.696  29.972   2.855
  448    HB2  PRO  58           HB2      PRO  58   7.932  30.625   4.773
  449    HB3  PRO  58           HB3      PRO  58   6.451  29.636   5.071
  450    HG2  PRO  58           HG2      PRO  58   8.871  28.476   4.738
  451    HG3  PRO  58           HG3      PRO  58   7.417  27.779   3.948
  452    HD2  PRO  58           HD2      PRO  58   9.484  29.667   2.784
  453    HD3  PRO  58           HD3      PRO  58   8.807  28.149   2.080
  454    H    GLN  59           H        GLN  59   4.627  31.785   2.998
  455    HA   GLN  59           HA       GLN  59   5.954  34.438   2.942
  456    HB2  GLN  59           HB2      GLN  59   5.836  33.809   0.627
  457    HB3  GLN  59           HB3      GLN  59   4.238  33.105   0.809
  458    HG2  GLN  59           HG2      GLN  59   4.210  35.203  -0.473
  459    HG3  GLN  59           HG3      GLN  59   3.189  35.249   0.950
  460   HE21  GLN  59          HE21      GLN  59   3.245  37.226   1.913
  461   HE22  GLN  59          HE22      GLN  59   4.647  38.292   1.977
  462    H    LYS  60           H        LYS  60   4.789  35.869   4.126
  463    HA   LYS  60           HA       LYS  60   2.551  35.315   5.680
  464    HB2  LYS  60           HB2      LYS  60   4.042  37.469   5.609
  465    HB3  LYS  60           HB3      LYS  60   2.879  38.017   4.369
  466    HG2  LYS  60           HG2      LYS  60   1.018  37.622   6.047
  467    HG3  LYS  60           HG3      LYS  60   2.246  37.183   7.239
  468    HD2  LYS  60           HD2      LYS  60   1.588  39.441   7.651
  469    HD3  LYS  60           HD3      LYS  60   3.231  39.487   6.996
  470    HE2  LYS  60           HE2      LYS  60   2.308  40.055   4.745
  471    HE3  LYS  60           HE3      LYS  60   0.667  39.930   5.387
  472    HZ1  LYS  60           HZ1      LYS  60   2.694  41.914   6.263
  473    HZ2  LYS  60           HZ2      LYS  60   1.430  42.221   5.283
  474    HZ3  LYS  60           HZ3      LYS  60   1.161  41.808   6.838
  475    H    LEU  61           H        LEU  61   0.411  35.119   5.307
  476    HA   LEU  61           HA       LEU  61  -0.413  35.120   2.509
  477    HB2  LEU  61           HB2      LEU  61  -1.407  33.184   2.927
  478    HB3  LEU  61           HB3      LEU  61  -0.314  33.103   4.295
  479    HG   LEU  61           HG       LEU  61  -3.244  33.945   4.519
  480   HD11  LEU  61          HD11      LEU  61  -3.680  31.810   5.060
  481   HD12  LEU  61          HD12      LEU  61  -2.578  31.641   3.703
  482   HD13  LEU  61          HD13      LEU  61  -1.956  31.361   5.341
  483   HD21  LEU  61          HD21      LEU  61  -1.938  34.947   6.329
  484   HD22  LEU  61          HD22      LEU  61  -2.827  33.545   6.943
  485   HD23  LEU  61          HD23      LEU  61  -1.088  33.413   6.605
  486    H    GLY  62           H        GLY  62  -3.031  34.990   2.437
  487    HA2  GLY  62           HA2      GLY  62  -4.993  35.965   3.453
  488    HA3  GLY  62           HA3      GLY  62  -4.089  37.457   3.762
  489    H    GLU  63           H        GLU  63  -3.389  35.982   0.702
  490    HA   GLU  63           HA       GLU  63  -4.383  38.346  -0.671
  491    HB2  GLU  63           HB2      GLU  63  -3.082  35.769  -1.673
  492    HB3  GLU  63           HB3      GLU  63  -3.450  37.167  -2.686
  493    HG2  GLU  63           HG2      GLU  63  -1.526  37.135  -0.315
  494    HG3  GLU  63           HG3      GLU  63  -1.077  37.081  -2.011
  495    H    ASP  64           H        ASP  64  -5.412  34.950  -0.297
  496    HA   ASP  64           HA       ASP  64  -8.017  35.622  -1.560
  497    HB2  ASP  64           HB2      ASP  64  -6.438  34.905  -3.383
  498    HB3  ASP  64           HB3      ASP  64  -6.262  33.349  -2.562
  499    H    GLU  65           H        GLU  65  -6.307  33.985   0.902
  500    HA   GLU  65           HA       GLU  65  -8.499  32.027   1.419
  501    HB2  GLU  65           HB2      GLU  65  -6.843  30.376   1.861
  502    HB3  GLU  65           HB3      GLU  65  -6.624  30.964   0.218
  503    HG2  GLU  65           HG2      GLU  65  -4.949  31.797   2.628
  504    HG3  GLU  65           HG3      GLU  65  -4.534  30.546   1.466
  505    H    SER  66           H        SER  66  -8.529  31.390   3.721
  506    HA   SER  66           HA       SER  66  -6.699  32.661   5.595
  507    HB2  SER  66           HB2      SER  66  -9.712  33.184   5.702
  508    HB3  SER  66           HB3      SER  66  -8.579  33.506   7.029
  509    HG   SER  66           HG       SER  66  -7.834  34.586   4.597
  510    H    ILE  67           H        ILE  67  -6.506  31.367   7.401
  511    HA   ILE  67           HA       ILE  67  -8.025  28.820   7.393
  512    HB   ILE  67           HB       ILE  67  -6.153  28.401   9.190
  513   HG12  ILE  67          HG12      ILE  67  -4.893  30.553   8.782
  514   HG13  ILE  67          HG13      ILE  67  -3.992  29.084   8.742
  515   HG21  ILE  67          HG21      ILE  67  -5.628  27.851   6.353
  516   HG22  ILE  67          HG22      ILE  67  -4.795  27.184   7.801
  517   HG23  ILE  67          HG23      ILE  67  -6.510  26.829   7.566
  518   HD11  ILE  67          HD11      ILE  67  -3.476  30.809   7.015
  519   HD12  ILE  67          HD12      ILE  67  -3.659  29.135   6.445
  520   HD13  ILE  67          HD13      ILE  67  -4.964  30.308   6.179
  521    HA   PRO  68           HA       PRO  68  -9.749  30.693  11.236
  522    HB2  PRO  68           HB2      PRO  68 -11.481  28.682  11.945
  523    HB3  PRO  68           HB3      PRO  68 -11.841  29.899  10.680
  524    HG2  PRO  68           HG2      PRO  68 -10.813  27.077  10.318
  525    HG3  PRO  68           HG3      PRO  68 -12.114  27.912   9.414
  526    HD2  PRO  68           HD2      PRO  68  -9.571  27.716   8.442
  527    HD3  PRO  68           HD3      PRO  68 -10.582  29.150   8.137
  528    H    GLU  69           H        GLU  69  -9.305  30.322  13.438
  529    HA   GLU  69           HA       GLU  69  -6.970  29.004  14.081
  530    HB2  GLU  69           HB2      GLU  69  -9.199  29.790  15.969
  531    HB3  GLU  69           HB3      GLU  69  -7.530  29.379  16.420
  532    HG2  GLU  69           HG2      GLU  69  -6.692  31.252  15.012
  533    HG3  GLU  69           HG3      GLU  69  -8.356  31.720  14.656
  534    H    GLU  70           H        GLU  70 -10.158  27.672  13.873
  535    HA   GLU  70           HA       GLU  70 -10.072  25.423  15.536
  536    HB2  GLU  70           HB2      GLU  70 -12.018  26.431  14.236
  537    HB3  GLU  70           HB3      GLU  70 -11.386  25.634  12.783
  538    HG2  GLU  70           HG2      GLU  70 -11.657  23.432  13.867
  539    HG3  GLU  70           HG3      GLU  70 -12.155  24.207  15.373
  540    H    ILE  71           H        ILE  71  -8.680  25.883  12.259
  541    HA   ILE  71           HA       ILE  71  -7.791  23.031  12.283
  542    HB   ILE  71           HB       ILE  71  -7.463  23.272   9.877
  543   HG12  ILE  71          HG12      ILE  71  -8.824  25.996  10.118
  544   HG13  ILE  71          HG13      ILE  71  -7.150  25.746   9.651
  545   HG21  ILE  71          HG21      ILE  71 -10.274  24.111  10.637
  546   HG22  ILE  71          HG22      ILE  71  -9.746  23.079   9.291
  547   HG23  ILE  71          HG23      ILE  71  -9.611  22.476  10.946
  548   HD11  ILE  71          HD11      ILE  71  -8.474  26.081   7.621
  549   HD12  ILE  71          HD12      ILE  71  -8.018  24.372   7.669
  550   HD13  ILE  71          HD13      ILE  71  -9.662  24.913   8.120
  551    H    ILE  72           H        ILE  72  -6.619  26.292  12.434
  552    HA   ILE  72           HA       ILE  72  -4.224  26.298  11.183
  553    HB   ILE  72           HB       ILE  72  -5.646  27.681  13.365
  554   HG12  ILE  72          HG12      ILE  72  -4.199  28.258  10.795
  555   HG13  ILE  72          HG13      ILE  72  -5.935  28.200  11.175
  556   HG21  ILE  72          HG21      ILE  72  -2.710  28.292  13.271
  557   HG22  ILE  72          HG22      ILE  72  -4.008  29.188  14.120
  558   HG23  ILE  72          HG23      ILE  72  -3.643  27.559  14.629
  559   HD11  ILE  72          HD11      ILE  72  -5.648  30.202  12.532
  560   HD12  ILE  72          HD12      ILE  72  -3.923  30.235  11.993
  561   HD13  ILE  72          HD13      ILE  72  -5.228  30.382  10.795
  562    H    ASN  73           H        ASN  73  -4.872  24.999  14.268
  563    HA   ASN  73           HA       ASN  73  -2.231  24.789  15.346
  564    HB2  ASN  73           HB2      ASN  73  -3.450  23.485  17.055
  565    HB3  ASN  73           HB3      ASN  73  -4.236  25.032  16.672
  566   HD21  ASN  73          HD21      ASN  73  -6.403  25.013  15.823
  567   HD22  ASN  73          HD22      ASN  73  -7.236  23.552  15.396
  568    H    GLY  74           H        GLY  74  -3.411  23.256  12.796
  569    HA2  GLY  74           HA2      GLY  74  -1.565  20.979  13.037
  570    HA3  GLY  74           HA3      GLY  74  -3.218  20.644  12.472
  571    H    LYS  75           H        LYS  75  -1.320  20.161  10.758
  572    HA   LYS  75           HA       LYS  75  -0.701  22.347   8.958
  573    HB2  LYS  75           HB2      LYS  75  -0.963  19.364   8.413
  574    HB3  LYS  75           HB3      LYS  75  -0.532  20.582   7.178
  575    HG2  LYS  75           HG2      LYS  75   1.393  21.249   8.577
  576    HG3  LYS  75           HG3      LYS  75   1.009  19.884   9.669
  577    HD2  LYS  75           HD2      LYS  75   2.692  19.001   8.365
  578    HD3  LYS  75           HD3      LYS  75   1.255  18.441   7.518
  579    HE2  LYS  75           HE2      LYS  75   2.286  19.323   5.672
  580    HE3  LYS  75           HE3      LYS  75   1.638  20.856   6.270
  581    HZ1  LYS  75           HZ1      LYS  75   3.952  21.143   5.875
  582    HZ2  LYS  75           HZ2      LYS  75   3.815  21.070   7.516
  583    HZ3  LYS  75           HZ3      LYS  75   4.367  19.784   6.689
  584    H    CYS  76           H        CYS  76  -1.862  23.023   7.136
  585    HA   CYS  76           HA       CYS  76  -4.716  22.166   7.104
  586    HB2  CYS  76           HB2      CYS  76  -3.859  25.072   6.853
  587    HB3  CYS  76           HB3      CYS  76  -5.474  24.421   6.622
  588    HG   CYS  76           HG       CYS  76  -3.635  23.963   9.356
  589    H    PHE  77           H        PHE  77  -5.425  21.701   5.188
  590    HA   PHE  77           HA       PHE  77  -3.441  21.763   2.974
  591    HB2  PHE  77           HB2      PHE  77  -5.680  19.830   3.711
  592    HB3  PHE  77           HB3      PHE  77  -4.619  19.715   2.305
  593    HD1  PHE  77           HD1      PHE  77  -2.151  19.735   2.711
  594    HD2  PHE  77           HD2      PHE  77  -4.924  19.064   5.870
  595    HE1  PHE  77           HE1      PHE  77  -0.212  19.199   4.276
  596    HE2  PHE  77           HE2      PHE  77  -3.043  18.357   7.358
  597    HZ   PHE  77           HZ       PHE  77  -0.735  18.222   6.477
  598    H    PHE  78           H        PHE  78  -3.921  23.447   1.803
  599    HA   PHE  78           HA       PHE  78  -6.603  24.372   1.089
  600    HB2  PHE  78           HB2      PHE  78  -4.475  25.781   1.084
  601    HB3  PHE  78           HB3      PHE  78  -3.993  24.849  -0.326
  602    HD1  PHE  78           HD1      PHE  78  -6.598  27.115   1.061
  603    HD2  PHE  78           HD2      PHE  78  -4.909  25.361  -2.502
  604    HE1  PHE  78           HE1      PHE  78  -7.911  28.698  -0.333
  605    HE2  PHE  78           HE2      PHE  78  -6.220  26.943  -3.889
  606    HZ   PHE  78           HZ       PHE  78  -7.673  28.659  -2.806
  607    H    ILE  79           H        ILE  79  -7.801  23.057  -0.092
  608    HA   ILE  79           HA       ILE  79  -6.506  21.196  -2.023
  609    HB   ILE  79           HB       ILE  79  -8.421  19.654  -1.299
  610   HG12  ILE  79          HG12      ILE  79  -8.636  21.392   1.167
  611   HG13  ILE  79          HG13      ILE  79  -9.641  21.724  -0.219
  612   HG21  ILE  79          HG21      ILE  79  -7.220  19.458   1.160
  613   HG22  ILE  79          HG22      ILE  79  -6.597  18.736  -0.326
  614   HG23  ILE  79          HG23      ILE  79  -5.966  20.280   0.299
  615   HD11  ILE  79          HD11      ILE  79  -9.773  19.195   1.356
  616   HD12  ILE  79          HD12      ILE  79 -10.892  20.606   1.323
  617   HD13  ILE  79          HD13      ILE  79 -10.714  19.603  -0.125
  618    H    HIS  80           H        HIS  80  -7.603  20.786  -3.986
  619    HA   HIS  80           HA       HIS  80  -9.937  22.545  -4.563
  620    HB2  HIS  80           HB2      HIS  80  -8.197  21.962  -6.340
  621    HB3  HIS  80           HB3      HIS  80  -8.859  20.312  -6.283
  622    HD2  HIS  80           HD2      HIS  80  -9.734  23.850  -7.416
  623    HE1  HIS  80           HE1      HIS  80 -12.831  21.319  -8.884
  624    HE2  HIS  80           HE2      HIS  80 -11.858  23.672  -8.971
  625    H    TYR  81           H        TYR  81 -11.911  21.806  -4.012
  626    HA   TYR  81           HA       TYR  81 -12.286  19.017  -3.121
  627    HB2  TYR  81           HB2      TYR  81 -14.072  21.413  -3.031
  628    HB3  TYR  81           HB3      TYR  81 -14.772  19.808  -3.086
  629    HD1  TYR  81           HD1      TYR  81 -13.957  18.022  -1.401
  630    HD2  TYR  81           HD2      TYR  81 -13.437  22.263  -0.821
  631    HE1  TYR  81           HE1      TYR  81 -14.080  17.696   1.028
  632    HE2  TYR  81           HE2      TYR  81 -13.515  21.936   1.629
  633    HH   TYR  81           HH       TYR  81 -14.072  18.716   3.121
  634    H    GLN  82           H        GLN  82 -12.220  17.639  -4.801
  635    HA   GLN  82           HA       GLN  82 -12.773  18.611  -7.492
  636    HB2  GLN  82           HB2      GLN  82 -12.169  15.748  -6.666
  637    HB3  GLN  82           HB3      GLN  82 -12.045  16.464  -8.277
  638    HG2  GLN  82           HG2      GLN  82 -10.290  18.054  -7.343
  639    HG3  GLN  82           HG3      GLN  82 -10.364  17.124  -5.833
  640   HE21  GLN  82          HE21      GLN  82  -9.282  15.219  -5.671
  641   HE22  GLN  82          HE22      GLN  82  -8.294  14.540  -6.954
  642    H    GLY  83           H        GLY  83 -14.295  17.672  -8.963
  643    HA2  GLY  83           HA2      GLY  83 -16.439  17.044  -9.549
  644    HA3  GLY  83           HA3      GLY  83 -16.643  16.265  -7.966
  645    H    TRP  84           H        TRP  84 -15.534  19.513  -7.496
  646    HA   TRP  84           HA       TRP  84 -18.277  20.611  -7.564
  647    HB2  TRP  84           HB2      TRP  84 -16.496  20.725  -5.088
  648    HB3  TRP  84           HB3      TRP  84 -18.048  21.543  -5.331
  649    HD1  TRP  84           HD1      TRP  84 -16.790  18.546  -3.740
  650    HE1  TRP  84           HE1      TRP  84 -18.788  17.123  -2.985
  651    HE3  TRP  84           HE3      TRP  84 -20.391  20.718  -6.587
  652    HZ2  TRP  84           HZ2      TRP  84 -21.605  17.060  -3.465
  653    HZ3  TRP  84           HZ3      TRP  84 -22.777  19.972  -6.430
  654    HH2  TRP  84           HH2      TRP  84 -23.397  18.144  -4.846
  655    H    LYS  85           H        LYS  85 -18.164  22.997  -6.994
  656    HA   LYS  85           HA       LYS  85 -16.796  24.257  -9.080
  657    HB2  LYS  85           HB2      LYS  85 -18.391  25.100  -6.675
  658    HB3  LYS  85           HB3      LYS  85 -17.266  26.301  -7.289
  659    HG2  LYS  85           HG2      LYS  85 -19.455  26.597  -8.264
  660    HG3  LYS  85           HG3      LYS  85 -18.207  26.251  -9.471
  661    HD2  LYS  85           HD2      LYS  85 -19.123  23.748  -9.280
  662    HD3  LYS  85           HD3      LYS  85 -20.547  24.546  -8.577
  663    HE2  LYS  85           HE2      LYS  85 -20.594  26.042 -10.608
  664    HE3  LYS  85           HE3      LYS  85 -19.192  25.155 -11.244
  665    HZ1  LYS  85           HZ1      LYS  85 -20.580  23.165 -11.319
  666    HZ2  LYS  85           HZ2      LYS  85 -21.871  23.977 -10.702
  667    HZ3  LYS  85           HZ3      LYS  85 -21.288  24.358 -12.175
  668    H    SER  86           H        SER  86 -14.914  25.300  -9.295
  669    HA   SER  86           HA       SER  86 -12.783  24.942  -7.477
  670    HB2  SER  86           HB2      SER  86 -13.098  27.087  -9.623
  671    HB3  SER  86           HB3      SER  86 -11.568  26.556  -8.886
  672    HG   SER  86           HG       SER  86 -12.171  25.538 -10.955
  673    H    SER  87           H        SER  87 -15.428  27.213  -7.202
  674    HA   SER  87           HA       SER  87 -14.259  29.155  -5.535
  675    HB2  SER  87           HB2      SER  87 -17.003  27.919  -5.143
  676    HB3  SER  87           HB3      SER  87 -16.491  29.586  -4.811
  677    HG   SER  87           HG       SER  87 -17.666  29.477  -6.759
  678    H    TRP  88           H        TRP  88 -14.683  25.739  -5.007
  679    HA   TRP  88           HA       TRP  88 -14.479  25.866  -2.079
  680    HB2  TRP  88           HB2      TRP  88 -14.712  23.530  -4.023
  681    HB3  TRP  88           HB3      TRP  88 -14.651  23.420  -2.277
  682    HD1  TRP  88           HD1      TRP  88 -16.978  25.335  -4.714
  683    HE1  TRP  88           HE1      TRP  88 -19.305  25.268  -3.762
  684    HE3  TRP  88           HE3      TRP  88 -15.997  22.641  -0.494
  685    HZ2  TRP  88           HZ2      TRP  88 -20.703  23.880  -1.586
  686    HZ3  TRP  88           HZ3      TRP  88 -17.850  21.918   0.989
  687    HH2  TRP  88           HH2      TRP  88 -20.207  22.517   0.452
  688    H    ASP  89           H        ASP  89 -12.189  26.607  -4.180
  689    HA   ASP  89           HA       ASP  89 -10.056  24.786  -3.360
  690    HB2  ASP  89           HB2      ASP  89 -10.148  27.475  -4.761
  691    HB3  ASP  89           HB3      ASP  89  -8.653  26.844  -4.085
  692    H    GLU  90           H        GLU  90 -10.241  24.578  -1.161
  693    HA   GLU  90           HA       GLU  90 -10.056  26.981   0.577
  694    HB2  GLU  90           HB2      GLU  90 -12.466  26.149   0.113
  695    HB3  GLU  90           HB3      GLU  90 -11.961  24.566   0.716
  696    HG2  GLU  90           HG2      GLU  90 -13.260  25.857   2.364
  697    HG3  GLU  90           HG3      GLU  90 -11.679  25.395   2.944
  698    H    TRP  91           H        TRP  91  -9.018  26.501   2.648
  699    HA   TRP  91           HA       TRP  91  -7.716  23.908   2.697
  700    HB2  TRP  91           HB2      TRP  91  -7.460  25.214   5.255
  701    HB3  TRP  91           HB3      TRP  91  -6.276  24.542   4.163
  702    HD1  TRP  91           HD1      TRP  91  -8.353  27.797   4.434
  703    HE1  TRP  91           HE1      TRP  91  -6.739  29.758   4.254
  704    HE3  TRP  91           HE3      TRP  91  -3.975  25.238   3.512
  705    HZ2  TRP  91           HZ2      TRP  91  -4.015  30.171   3.586
  706    HZ3  TRP  91           HZ3      TRP  91  -1.900  26.492   2.993
  707    HH2  TRP  91           HH2      TRP  91  -1.941  29.016   2.979
  708    H    VAL  92           H        VAL  92  -7.756  22.397   4.224
  709    HA   VAL  92           HA       VAL  92  -9.894  22.442   6.302
  710    HB   VAL  92           HB       VAL  92 -10.101  19.925   5.911
  711   HG11  VAL  92          HG11      VAL  92 -11.094  21.723   3.666
  712   HG12  VAL  92          HG12      VAL  92 -11.697  20.105   4.125
  713   HG13  VAL  92          HG13      VAL  92 -11.886  21.478   5.239
  714   HG21  VAL  92          HG21      VAL  92  -8.137  19.640   4.454
  715   HG22  VAL  92          HG22      VAL  92  -9.651  19.052   3.723
  716   HG23  VAL  92          HG23      VAL  92  -8.935  20.583   3.196
  717    H    GLY  93           H        GLY  93  -9.369  21.044   8.135
  718    HA2  GLY  93           HA2      GLY  93  -6.443  20.736   8.582
  719    HA3  GLY  93           HA3      GLY  93  -7.708  20.719   9.813
  720    H    TYR  94           H        TYR  94  -5.887  18.715   9.790
  721    HA   TYR  94           HA       TYR  94  -6.553  16.379   8.338
  722    HB2  TYR  94           HB2      TYR  94  -4.681  17.226  10.261
  723    HB3  TYR  94           HB3      TYR  94  -5.472  15.815  10.980
  724    HD1  TYR  94           HD1      TYR  94  -5.909  13.857   9.203
  725    HD2  TYR  94           HD2      TYR  94  -2.895  16.897   8.873
  726    HE1  TYR  94           HE1      TYR  94  -4.801  12.532   7.427
  727    HE2  TYR  94           HE2      TYR  94  -1.852  15.651   6.988
  728    HH   TYR  94           HH       TYR  94  -2.910  12.320   6.076
  729    H    ASP  95           H        ASP  95  -8.019  17.803  11.079
  730    HA   ASP  95           HA       ASP  95  -9.619  15.685  12.083
  731    HB2  ASP  95           HB2      ASP  95  -9.336  17.862  13.204
  732    HB3  ASP  95           HB3      ASP  95 -10.212  18.659  11.893
  733    H    ARG  96           H        ARG  96  -9.707  17.197   8.993
  734    HA   ARG  96           HA       ARG  96 -12.344  15.910   8.405
  735    HB2  ARG  96           HB2      ARG  96 -11.183  18.417   7.111
  736    HB3  ARG  96           HB3      ARG  96 -12.637  17.574   6.621
  737    HG2  ARG  96           HG2      ARG  96 -13.620  19.192   7.903
  738    HG3  ARG  96           HG3      ARG  96 -13.393  17.960   9.136
  739    HD2  ARG  96           HD2      ARG  96 -11.000  19.291   9.343
  740    HD3  ARG  96           HD3      ARG  96 -12.005  20.595   8.733
  741    HE   ARG  96           HE       ARG  96 -12.504  18.977  11.222
  742   HH11  ARG  96          HH11      ARG  96 -12.914  22.181   9.608
  743   HH12  ARG  96          HH12      ARG  96 -13.462  22.886  11.121
  744   HH21  ARG  96          HH21      ARG  96 -13.221  19.967  13.000
  745   HH22  ARG  96          HH22      ARG  96 -13.692  21.682  12.966
  746    H    ILE  97           H        ILE  97  -8.988  16.642   7.134
  747    HA   ILE  97           HA       ILE  97  -9.693  14.956   4.853
  748    HB   ILE  97           HB       ILE  97  -8.909  17.259   4.687
  749   HG12  ILE  97          HG12      ILE  97  -7.229  15.210   3.216
  750   HG13  ILE  97          HG13      ILE  97  -8.800  15.852   2.720
  751   HG21  ILE  97          HG21      ILE  97  -6.934  16.981   6.406
  752   HG22  ILE  97          HG22      ILE  97  -6.026  16.439   4.964
  753   HG23  ILE  97          HG23      ILE  97  -6.858  18.022   4.966
  754   HD11  ILE  97          HD11      ILE  97  -6.152  17.322   2.803
  755   HD12  ILE  97          HD12      ILE  97  -7.242  17.088   1.436
  756   HD13  ILE  97          HD13      ILE  97  -7.722  18.149   2.759
  757    H    ARG  98           H        ARG  98  -8.525  13.286   4.021
  758    HA   ARG  98           HA       ARG  98  -6.038  12.389   5.407
  759    HB2  ARG  98           HB2      ARG  98  -8.261  10.575   4.536
  760    HB3  ARG  98           HB3      ARG  98  -6.612  10.104   5.028
  761    HG2  ARG  98           HG2      ARG  98  -7.075  11.098   7.320
  762    HG3  ARG  98           HG3      ARG  98  -8.757  11.429   6.788
  763    HD2  ARG  98           HD2      ARG  98  -8.923   9.057   6.088
  764    HD3  ARG  98           HD3      ARG  98  -7.333   8.756   6.815
  765    HE   ARG  98           HE       ARG  98  -8.572   9.672   8.956
  766   HH11  ARG  98          HH11      ARG  98 -10.016   7.509   6.491
  767   HH12  ARG  98          HH12      ARG  98 -11.103   6.766   7.607
  768   HH21  ARG  98          HH21      ARG  98 -10.052   8.694  10.405
  769   HH22  ARG  98          HH22      ARG  98 -11.139   7.464   9.868
  770    H    ALA  99           H        ALA  99  -4.627  11.272   3.859
  771    HA   ALA  99           HA       ALA  99  -4.770  12.074   1.115
  772    HB1  ALA  99           HB1      ALA  99  -3.152   9.792   2.096
  773    HB2  ALA  99           HB2      ALA  99  -2.702  11.069   0.862
  774    HB3  ALA  99           HB3      ALA  99  -2.743  11.446   2.597
  775    H    TYR 100           H        TYR 100  -4.582  10.593  -0.696
  776    HA   TYR 100           HA       TYR 100  -6.966   9.072  -0.888
  777    HB2  TYR 100           HB2      TYR 100  -5.171  10.183  -2.658
  778    HB3  TYR 100           HB3      TYR 100  -4.953   8.479  -2.939
  779    HD1  TYR 100           HD1      TYR 100  -7.799  10.929  -2.483
  780    HD2  TYR 100           HD2      TYR 100  -6.301   7.465  -4.568
  781    HE1  TYR 100           HE1      TYR 100  -9.798  10.947  -3.931
  782    HE2  TYR 100           HE2      TYR 100  -8.311   7.457  -6.011
  783    HH   TYR 100           HH       TYR 100 -10.322   8.521  -6.532
  784    H    ASN 101           H        ASN 101  -7.364   7.041  -0.285
  785    HA   ASN 101           HA       ASN 101  -5.653   4.875  -1.112
  786    HB2  ASN 101           HB2      ASN 101  -5.323   3.814   1.098
  787    HB3  ASN 101           HB3      ASN 101  -4.530   5.370   0.992
  788   HD21  ASN 101          HD21      ASN 101  -4.981   6.895   2.469
  789   HD22  ASN 101          HD22      ASN 101  -6.363   6.870   3.548
  790    H    GLU 102           H        GLU 102  -6.534   2.752  -0.497
  791    HA   GLU 102           HA       GLU 102  -9.151   2.521  -1.437
  792    HB2  GLU 102           HB2      GLU 102  -7.255   0.870  -1.588
  793    HB3  GLU 102           HB3      GLU 102  -7.524   0.460   0.113
  794    HG2  GLU 102           HG2      GLU 102  -9.785  -0.355  -0.420
  795    HG3  GLU 102           HG3      GLU 102  -9.630   0.200  -2.089
  796    H    GLU 103           H        GLU 103  -7.976   2.664   1.930
  797    HA   GLU 103           HA       GLU 103 -10.445   1.725   3.135
  798    HB2  GLU 103           HB2      GLU 103  -8.672   1.391   4.509
  799    HB3  GLU 103           HB3      GLU 103  -7.814   2.846   4.048
  800    HG2  GLU 103           HG2      GLU 103  -9.092   4.247   5.443
  801    HG3  GLU 103           HG3      GLU 103 -10.355   3.013   5.686
  802    H    ASN 104           H        ASN 104  -9.236   4.858   1.934
  803    HA   ASN 104           HA       ASN 104 -11.456   6.350   3.225
  804    HB2  ASN 104           HB2      ASN 104  -9.281   7.261   1.398
  805    HB3  ASN 104           HB3      ASN 104 -10.618   8.237   2.068
  806   HD21  ASN 104          HD21      ASN 104  -7.585   8.430   2.541
  807   HD22  ASN 104          HD22      ASN 104  -7.511   8.423   4.286
  808    H    ILE 105           H        ILE 105 -10.693   4.723   0.194
  809    HA   ILE 105           HA       ILE 105 -13.030   5.765  -1.165
  810    HB   ILE 105           HB       ILE 105 -10.919   3.687  -1.529
  811   HG12  ILE 105          HG12      ILE 105  -9.891   5.231  -2.799
  812   HG13  ILE 105          HG13      ILE 105 -11.389   5.644  -3.672
  813   HG21  ILE 105          HG21      ILE 105 -11.798   3.266  -3.805
  814   HG22  ILE 105          HG22      ILE 105 -12.754   2.622  -2.463
  815   HG23  ILE 105          HG23      ILE 105 -13.307   4.103  -3.288
  816   HD11  ILE 105          HD11      ILE 105 -11.906   7.407  -2.002
  817   HD12  ILE 105          HD12      ILE 105 -10.421   6.956  -1.115
  818   HD13  ILE 105          HD13      ILE 105 -10.304   7.618  -2.734
  819    H    ALA 106           H        ALA 106 -12.312   2.980   0.955
  820    HA   ALA 106           HA       ALA 106 -14.836   1.693   0.535
  821    HB1  ALA 106           HB1      ALA 106 -13.022   1.696   2.978
  822    HB2  ALA 106           HB2      ALA 106 -14.264   0.490   2.573
  823    HB3  ALA 106           HB3      ALA 106 -12.814   0.674   1.552
  824    H    MET 107           H        MET 107 -13.645   4.186   2.831
  825    HA   MET 107           HA       MET 107 -16.192   4.710   4.006
  826    HB2  MET 107           HB2      MET 107 -15.095   6.140   5.297
  827    HB3  MET 107           HB3      MET 107 -13.638   5.611   4.487
  828    HG2  MET 107           HG2      MET 107 -14.221   7.607   2.842
  829    HG3  MET 107           HG3      MET 107 -15.215   8.143   4.180
  830    HE1  MET 107           HE1      MET 107 -12.906   9.579   2.709
  831    HE2  MET 107           HE2      MET 107 -13.824  10.302   4.076
  832    HE3  MET 107           HE3      MET 107 -12.032  10.439   4.027
  833    H    LYS 108           H        LYS 108 -14.649   6.194   1.062
  834    HA   LYS 108           HA       LYS 108 -16.691   7.951   0.442
  835    HB2  LYS 108           HB2      LYS 108 -14.616   7.886  -0.920
  836    HB3  LYS 108           HB3      LYS 108 -14.996   6.277  -1.467
  837    HG2  LYS 108           HG2      LYS 108 -15.412   7.835  -3.250
  838    HG3  LYS 108           HG3      LYS 108 -16.845   6.954  -2.800
  839    HD2  LYS 108           HD2      LYS 108 -17.866   8.962  -2.899
  840    HD3  LYS 108           HD3      LYS 108 -17.243   9.204  -1.280
  841    HE2  LYS 108           HE2      LYS 108 -16.272  11.072  -2.132
  842    HE3  LYS 108           HE3      LYS 108 -15.051   9.952  -2.781
  843    HZ1  LYS 108           HZ1      LYS 108 -17.463  10.888  -4.252
  844    HZ2  LYS 108           HZ2      LYS 108 -15.936  11.461  -4.440
  845    HZ3  LYS 108           HZ3      LYS 108 -16.274   9.925  -4.862
  846    H    LYS 109           H        LYS 109 -16.359   4.571  -0.882
  847    HA   LYS 109           HA       LYS 109 -18.817   4.761  -2.245
  848    HB2  LYS 109           HB2      LYS 109 -18.567   2.469  -2.832
  849    HB3  LYS 109           HB3      LYS 109 -16.968   3.225  -2.813
  850    HG2  LYS 109           HG2      LYS 109 -16.627   2.178  -0.552
  851    HG3  LYS 109           HG3      LYS 109 -18.124   1.260  -0.835
  852    HD2  LYS 109           HD2      LYS 109 -17.187   0.424  -3.002
  853    HD3  LYS 109           HD3      LYS 109 -15.675   1.316  -2.687
  854    HE2  LYS 109           HE2      LYS 109 -15.316   0.096  -0.649
  855    HE3  LYS 109           HE3      LYS 109 -16.888  -0.722  -0.825
  856    HZ1  LYS 109           HZ1      LYS 109 -15.057  -2.159  -1.540
  857    HZ2  LYS 109           HZ2      LYS 109 -16.020  -1.814  -2.813
  858    HZ3  LYS 109           HZ3      LYS 109 -14.577  -1.065  -2.654
  859    H    ARG 110           H        ARG 110 -18.202   3.442   1.051
  860    HA   ARG 110           HA       ARG 110 -20.945   2.549   1.283
  861    HB2  ARG 110           HB2      ARG 110 -20.463   1.815   3.363
  862    HB3  ARG 110           HB3      ARG 110 -18.885   1.783   2.623
  863    HG2  ARG 110           HG2      ARG 110 -18.510   2.533   4.770
  864    HG3  ARG 110           HG3      ARG 110 -18.402   4.006   3.804
  865    HD2  ARG 110           HD2      ARG 110 -20.429   4.867   4.706
  866    HD3  ARG 110           HD3      ARG 110 -21.061   3.259   5.020
  867    HE   ARG 110           HE       ARG 110 -20.215   3.303   7.095
  868   HH11  ARG 110          HH11      ARG 110 -18.399   5.755   5.272
  869   HH12  ARG 110          HH12      ARG 110 -17.584   6.373   6.667
  870   HH21  ARG 110          HH21      ARG 110 -19.156   4.145   8.938
  871   HH22  ARG 110          HH22      ARG 110 -18.017   5.431   8.790
  872    H    LEU 111           H        LEU 111 -19.308   5.630   2.008
  873    HA   LEU 111           HA       LEU 111 -21.527   6.978   3.221
  874    HB2  LEU 111           HB2      LEU 111 -19.127   7.823   1.563
  875    HB3  LEU 111           HB3      LEU 111 -20.368   8.976   1.889
  876    HG   LEU 111           HG       LEU 111 -18.860   7.508   4.066
  877   HD11  LEU 111          HD11      LEU 111 -17.394   9.422   4.163
  878   HD12  LEU 111          HD12      LEU 111 -17.508   9.018   2.473
  879   HD13  LEU 111          HD13      LEU 111 -18.466  10.373   3.113
  880   HD21  LEU 111          HD21      LEU 111 -19.780   9.429   5.448
  881   HD22  LEU 111          HD22      LEU 111 -20.862   9.799   4.075
  882   HD23  LEU 111          HD23      LEU 111 -20.976   8.253   4.908
  883    H    ALA 112           H        ALA 112 -20.422   6.880  -0.156
  884    HA   ALA 112           HA       ALA 112 -22.424   8.391  -1.303
  885    HB1  ALA 112           HB1      ALA 112 -20.349   7.721  -2.445
  886    HB2  ALA 112           HB2      ALA 112 -20.952   6.051  -2.580
  887    HB3  ALA 112           HB3      ALA 112 -21.769   7.370  -3.441
  888    H    ASN 113           H        ASN 113 -22.830   5.076  -0.159
  889    HA   ASN 113           HA       ASN 113 -25.175   4.470  -1.683
  890    HB2  ASN 113           HB2      ASN 113 -25.107   2.557  -0.578
  891    HB3  ASN 113           HB3      ASN 113 -23.675   3.120   0.260
  892   HD21  ASN 113          HD21      ASN 113 -23.957   4.063   2.449
  893   HD22  ASN 113          HD22      ASN 113 -25.370   3.637   3.394
  894    H    LEU 114           H        LEU 114 -24.691   6.667   1.014
  895    HA   LEU 114           HA       LEU 114 -27.486   6.882   1.776
  896    HB2  LEU 114           HB2      LEU 114 -25.528   7.218   3.274
  897    HB3  LEU 114           HB3      LEU 114 -25.071   8.648   2.374
  898    HG   LEU 114           HG       LEU 114 -26.203   8.924   4.610
  899   HD11  LEU 114          HD11      LEU 114 -27.502  10.487   2.367
  900   HD12  LEU 114          HD12      LEU 114 -27.313  10.964   4.056
  901   HD13  LEU 114          HD13      LEU 114 -25.883  10.782   3.027
  902   HD21  LEU 114          HD21      LEU 114 -28.022   7.280   4.293
  903   HD22  LEU 114          HD22      LEU 114 -28.604   8.884   4.784
  904   HD23  LEU 114          HD23      LEU 114 -28.779   8.368   3.100
  905    H    GLU 115           H        GLU 115 -25.269   8.526  -0.445
  906    HA   GLU 115           HA       GLU 115 -26.571  10.990  -0.745
  907    HB2  GLU 115           HB2      GLU 115 -24.262  10.445  -1.522
  908    HB3  GLU 115           HB3      GLU 115 -24.952   9.491  -2.846
  909    HG2  GLU 115           HG2      GLU 115 -26.075  11.524  -3.725
  910    HG3  GLU 115           HG3      GLU 115 -25.432  12.466  -2.379
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   3.923  -0.821   1.580
    2    H2   MET   1           H2       MET   1   2.650  -0.379   0.642
    3    H3   MET   1           H3       MET   1   3.654   0.768   1.222
    4    HA   MET   1           HA       MET   1   1.841  -0.923   2.778
    5    HB2  MET   1           HB2      MET   1   2.517   0.217   4.782
    6    HB3  MET   1           HB3      MET   1   3.931  -0.510   4.037
    7    HG2  MET   1           HG2      MET   1   4.577   1.733   3.124
    8    HG3  MET   1           HG3      MET   1   3.169   2.435   3.935
    9    HE1  MET   1           HE1      MET   1   6.013   3.965   6.027
   10    HE2  MET   1           HE2      MET   1   5.981   3.686   4.276
   11    HE3  MET   1           HE3      MET   1   4.523   4.261   5.114
   12    H    VAL   2           H        VAL   2  -0.178   0.009   3.266
   13    HA   VAL   2           HA       VAL   2  -1.065   2.112   1.557
   14    HB   VAL   2           HB       VAL   2  -2.399   0.991   4.058
   15   HG11  VAL   2          HG11      VAL   2  -3.582   2.377   1.607
   16   HG12  VAL   2          HG12      VAL   2  -4.521   1.616   2.911
   17   HG13  VAL   2          HG13      VAL   2  -3.535   3.036   3.257
   18   HG21  VAL   2          HG21      VAL   2  -3.601  -0.521   2.474
   19   HG22  VAL   2          HG22      VAL   2  -2.534   0.036   1.164
   20   HG23  VAL   2          HG23      VAL   2  -1.880  -0.871   2.544
   21    H    ASP   3           H        ASP   3   0.309   2.163   4.848
   22    HA   ASP   3           HA       ASP   3  -0.627   4.727   5.583
   23    HB2  ASP   3           HB2      ASP   3   0.379   3.091   7.129
   24    HB3  ASP   3           HB3      ASP   3   1.968   3.419   6.426
   25    H    LEU   4           H        LEU   4   1.870   3.869   3.279
   26    HA   LEU   4           HA       LEU   4   3.297   6.388   3.322
   27    HB2  LEU   4           HB2      LEU   4   4.225   4.295   2.343
   28    HB3  LEU   4           HB3      LEU   4   2.952   4.310   1.119
   29    HG   LEU   4           HG       LEU   4   3.843   6.415   0.178
   30   HD11  LEU   4          HD11      LEU   4   6.094   7.218   0.865
   31   HD12  LEU   4          HD12      LEU   4   4.904   7.432   2.152
   32   HD13  LEU   4          HD13      LEU   4   6.069   6.094   2.240
   33   HD21  LEU   4          HD21      LEU   4   4.583   4.227  -0.683
   34   HD22  LEU   4          HD22      LEU   4   5.869   5.442  -0.808
   35   HD23  LEU   4          HD23      LEU   4   5.934   4.219   0.477
   36    H    GLU   5           H        GLU   5   0.343   5.144   1.790
   37    HA   GLU   5           HA       GLU   5   0.010   7.466   0.034
   38    HB2  GLU   5           HB2      GLU   5  -1.939   5.224   0.709
   39    HB3  GLU   5           HB3      GLU   5  -2.081   6.402  -0.599
   40    HG2  GLU   5           HG2      GLU   5   0.017   5.501  -1.611
   41    HG3  GLU   5           HG3      GLU   5   0.064   4.248  -0.370
   42    H    GLN   6           H        GLN   6  -1.124   6.303   3.221
   43    HA   GLN   6           HA       GLN   6  -3.219   8.055   3.657
   44    HB2  GLN   6           HB2      GLN   6  -2.516   5.946   4.823
   45    HB3  GLN   6           HB3      GLN   6  -1.245   6.858   5.644
   46    HG2  GLN   6           HG2      GLN   6  -4.127   7.681   5.802
   47    HG3  GLN   6           HG3      GLN   6  -3.512   6.337   6.778
   48   HE21  GLN   6          HE21      GLN   6  -1.098   7.098   7.843
   49   HE22  GLN   6          HE22      GLN   6  -1.291   8.581   8.753
   50    H    GLU   7           H        GLU   7   0.296   8.664   4.042
   51    HA   GLU   7           HA       GLU   7   0.157  11.064   5.544
   52    HB2  GLU   7           HB2      GLU   7   2.072  10.193   3.319
   53    HB3  GLU   7           HB3      GLU   7   2.262  11.648   4.275
   54    HG2  GLU   7           HG2      GLU   7   2.268  10.229   6.372
   55    HG3  GLU   7           HG3      GLU   7   2.312   8.800   5.347
   56    H    PHE   8           H        PHE   8  -0.355  13.099   4.991
   57    HA   PHE   8           HA       PHE   8  -1.681  13.825   2.518
   58    HB2  PHE   8           HB2      PHE   8  -1.332  16.093   3.079
   59    HB3  PHE   8           HB3      PHE   8  -1.794  15.293   4.569
   60    HD1  PHE   8           HD1      PHE   8   0.089  14.741   6.292
   61    HD2  PHE   8           HD2      PHE   8   0.790  17.112   2.755
   62    HE1  PHE   8           HE1      PHE   8   2.180  15.630   7.298
   63    HE2  PHE   8           HE2      PHE   8   2.888  17.989   3.757
   64    HZ   PHE   8           HZ       PHE   8   3.591  17.240   6.018
   65    H    ALA   9           H        ALA   9  -0.865  14.651   0.649
   66    HA   ALA   9           HA       ALA   9   2.130  14.782   0.442
   67    HB1  ALA   9           HB1      ALA   9   1.383  12.634  -0.237
   68    HB2  ALA   9           HB2      ALA   9   0.052  13.332  -1.177
   69    HB3  ALA   9           HB3      ALA   9   1.743  13.561  -1.735
   70    H    LEU  10           H        LEU  10   2.917  16.024  -1.222
   71    HA   LEU  10           HA       LEU  10   1.859  18.616  -1.183
   72    HB2  LEU  10           HB2      LEU  10   4.126  17.144  -2.564
   73    HB3  LEU  10           HB3      LEU  10   3.723  18.719  -3.194
   74    HG   LEU  10           HG       LEU  10   5.558  18.597  -1.412
   75   HD11  LEU  10          HD11      LEU  10   4.684  20.659  -2.179
   76   HD12  LEU  10          HD12      LEU  10   3.174  20.469  -1.260
   77   HD13  LEU  10          HD13      LEU  10   4.725  20.766  -0.407
   78   HD21  LEU  10          HD21      LEU  10   4.872  18.543   0.918
   79   HD22  LEU  10          HD22      LEU  10   3.151  18.392   0.472
   80   HD23  LEU  10          HD23      LEU  10   4.266  17.077   0.101
   81    H    GLY  11           H        GLY  11   1.229  16.165  -3.283
   82    HA2  GLY  11           HA2      GLY  11  -0.836  17.714  -4.556
   83    HA3  GLY  11           HA3      GLY  11   0.334  17.018  -5.719
   84    H    GLY  12           H        GLY  12  -0.681  15.663  -2.491
   85    HA2  GLY  12           HA2      GLY  12  -1.517  13.155  -3.752
   86    HA3  GLY  12           HA3      GLY  12  -1.748  13.652  -2.062
   87    H    ARG  13           H        ARG  13  -3.738  12.486  -3.362
   88    HA   ARG  13           HA       ARG  13  -5.702  14.652  -3.985
   89    HB2  ARG  13           HB2      ARG  13  -5.678  11.652  -4.442
   90    HB3  ARG  13           HB3      ARG  13  -7.206  12.534  -4.198
   91    HG2  ARG  13           HG2      ARG  13  -6.837  13.847  -6.154
   92    HG3  ARG  13           HG3      ARG  13  -5.195  13.176  -6.380
   93    HD2  ARG  13           HD2      ARG  13  -6.124  10.887  -6.518
   94    HD3  ARG  13           HD3      ARG  13  -7.741  11.502  -6.239
   95    HE   ARG  13           HE       ARG  13  -7.915  12.212  -8.434
   96   HH11  ARG  13          HH11      ARG  13  -4.548  11.205  -7.865
   97   HH12  ARG  13          HH12      ARG  13  -4.123  11.209  -9.538
   98   HH21  ARG  13          HH21      ARG  13  -7.335  12.254 -10.646
   99   HH22  ARG  13          HH22      ARG  13  -5.747  11.811 -11.150
  100    H    CYS  14           H        CYS  14  -7.555  14.340  -2.478
  101    HA   CYS  14           HA       CYS  14  -7.016  12.756  -0.037
  102    HB2  CYS  14           HB2      CYS  14  -7.694  15.084   1.134
  103    HB3  CYS  14           HB3      CYS  14  -6.025  14.607   0.874
  104    HG   CYS  14           HG       CYS  14  -6.407  17.145   0.393
  105    H    LEU  15           H        LEU  15  -8.885  13.368   1.546
  106    HA   LEU  15           HA       LEU  15 -11.478  13.672   0.170
  107    HB2  LEU  15           HB2      LEU  15 -10.897  11.456   2.185
  108    HB3  LEU  15           HB3      LEU  15 -12.433  11.861   1.480
  109    HG   LEU  15           HG       LEU  15 -11.835   9.918   0.526
  110   HD11  LEU  15          HD11      LEU  15 -12.452  11.850  -1.171
  111   HD12  LEU  15          HD12      LEU  15 -10.831  11.570  -1.779
  112   HD13  LEU  15          HD13      LEU  15 -11.978  10.234  -1.752
  113   HD21  LEU  15          HD21      LEU  15  -9.774   9.179  -0.268
  114   HD22  LEU  15          HD22      LEU  15  -9.099  10.823  -0.401
  115   HD23  LEU  15          HD23      LEU  15  -9.382  10.100   1.188
  116    H    ALA  16           H        ALA  16 -12.832  14.818   1.550
  117    HA   ALA  16           HA       ALA  16 -11.964  15.168   4.341
  118    HB1  ALA  16           HB1      ALA  16 -11.011  17.172   3.433
  119    HB2  ALA  16           HB2      ALA  16 -12.414  17.445   2.366
  120    HB3  ALA  16           HB3      ALA  16 -12.540  17.671   4.131
  121    H    PHE  17           H        PHE  17 -13.512  15.642   5.764
  122    HA   PHE  17           HA       PHE  17 -16.175  14.569   4.981
  123    HB2  PHE  17           HB2      PHE  17 -14.188  13.872   6.998
  124    HB3  PHE  17           HB3      PHE  17 -15.654  14.386   7.811
  125    HD1  PHE  17           HD1      PHE  17 -17.880  13.215   6.329
  126    HD2  PHE  17           HD2      PHE  17 -13.920  11.617   7.035
  127    HE1  PHE  17           HE1      PHE  17 -18.757  10.949   6.208
  128    HE2  PHE  17           HE2      PHE  17 -14.866   9.321   6.909
  129    HZ   PHE  17           HZ       PHE  17 -17.268   8.981   6.573
  130    H    HIS  18           H        HIS  18 -18.031  15.390   5.627
  131    HA   HIS  18           HA       HIS  18 -17.955  18.129   6.864
  132    HB2  HIS  18           HB2      HIS  18 -19.692  16.982   4.645
  133    HB3  HIS  18           HB3      HIS  18 -20.068  18.469   5.503
  134    HD2  HIS  18           HD2      HIS  18 -17.296  17.047   3.154
  135    HE1  HIS  18           HE1      HIS  18 -17.115  21.303   2.938
  136    HE2  HIS  18           HE2      HIS  18 -16.217  19.133   1.972
  137    H    GLY  19           H        GLY  19 -19.755  15.035   6.601
  138    HA2  GLY  19           HA2      GLY  19 -20.464  14.569   9.135
  139    HA3  GLY  19           HA3      GLY  19 -21.634  15.832   8.730
  140    HA   PRO  20           HA       PRO  20 -24.139  12.848   6.631
  141    HB2  PRO  20           HB2      PRO  20 -24.929  14.008   4.259
  142    HB3  PRO  20           HB3      PRO  20 -25.561  14.475   5.872
  143    HG2  PRO  20           HG2      PRO  20 -23.382  15.816   4.260
  144    HG3  PRO  20           HG3      PRO  20 -24.747  16.575   5.136
  145    HD2  PRO  20           HD2      PRO  20 -22.249  16.433   6.199
  146    HD3  PRO  20           HD3      PRO  20 -23.697  16.261   7.229
  147    H    LEU  21           H        LEU  21 -21.565  14.276   4.550
  148    HA   LEU  21           HA       LEU  21 -20.738  11.607   3.821
  149    HB2  LEU  21           HB2      LEU  21 -22.369  13.129   2.010
  150    HB3  LEU  21           HB3      LEU  21 -20.750  13.295   1.399
  151    HG   LEU  21           HG       LEU  21 -21.116  10.549   2.143
  152   HD11  LEU  21          HD11      LEU  21 -22.998   9.838   0.821
  153   HD12  LEU  21          HD12      LEU  21 -23.462  10.900   2.134
  154   HD13  LEU  21          HD13      LEU  21 -23.401  11.541   0.466
  155   HD21  LEU  21          HD21      LEU  21 -19.559  11.103   0.373
  156   HD22  LEU  21          HD22      LEU  21 -20.813  10.082  -0.306
  157   HD23  LEU  21          HD23      LEU  21 -20.859  11.845  -0.587
  158    H    MET  22           H        MET  22 -18.818  12.033   2.057
  159    HA   MET  22           HA       MET  22 -17.137  14.262   2.921
  160    HB2  MET  22           HB2      MET  22 -15.775  12.889   4.075
  161    HB3  MET  22           HB3      MET  22 -16.682  11.484   3.671
  162    HG2  MET  22           HG2      MET  22 -14.709  12.583   1.695
  163    HG3  MET  22           HG3      MET  22 -14.149  11.871   3.151
  164    HE1  MET  22           HE1      MET  22 -14.185   9.780  -0.378
  165    HE2  MET  22           HE2      MET  22 -15.702  10.786  -0.450
  166    HE3  MET  22           HE3      MET  22 -14.145  11.499   0.023
  167    H    TYR  23           H        TYR  23 -15.654  14.836   1.239
  168    HA   TYR  23           HA       TYR  23 -16.336  13.736  -1.452
  169    HB2  TYR  23           HB2      TYR  23 -16.182  16.689  -0.742
  170    HB3  TYR  23           HB3      TYR  23 -16.557  15.991  -2.317
  171    HD1  TYR  23           HD1      TYR  23 -18.602  14.145  -2.154
  172    HD2  TYR  23           HD2      TYR  23 -18.007  17.517   0.478
  173    HE1  TYR  23           HE1      TYR  23 -20.977  14.023  -1.455
  174    HE2  TYR  23           HE2      TYR  23 -20.383  17.405   1.164
  175    HH   TYR  23           HH       TYR  23 -22.606  14.865  -0.108
  176    H    GLU  24           H        GLU  24 -14.760  14.254  -3.076
  177    HA   GLU  24           HA       GLU  24 -12.063  13.777  -2.223
  178    HB2  GLU  24           HB2      GLU  24 -13.319  14.623  -4.893
  179    HB3  GLU  24           HB3      GLU  24 -11.610  14.226  -4.663
  180    HG2  GLU  24           HG2      GLU  24 -12.341  12.260  -5.487
  181    HG3  GLU  24           HG3      GLU  24 -12.492  11.929  -3.772
  182    H    ALA  25           H        ALA  25 -10.382  14.984  -2.215
  183    HA   ALA  25           HA       ALA  25 -10.615  17.892  -2.372
  184    HB1  ALA  25           HB1      ALA  25  -9.439  16.211  -0.106
  185    HB2  ALA  25           HB2      ALA  25  -9.095  17.922  -0.300
  186    HB3  ALA  25           HB3      ALA  25 -10.747  17.381  -0.010
  187    H    LYS  26           H        LYS  26  -8.277  18.782  -2.709
  188    HA   LYS  26           HA       LYS  26  -6.337  16.866  -3.858
  189    HB2  LYS  26           HB2      LYS  26  -7.953  17.578  -5.704
  190    HB3  LYS  26           HB3      LYS  26  -7.459  19.231  -5.406
  191    HG2  LYS  26           HG2      LYS  26  -5.009  18.281  -5.852
  192    HG3  LYS  26           HG3      LYS  26  -5.896  16.912  -6.546
  193    HD2  LYS  26           HD2      LYS  26  -5.340  18.428  -8.333
  194    HD3  LYS  26           HD3      LYS  26  -7.089  18.554  -8.064
  195    HE2  LYS  26           HE2      LYS  26  -6.679  20.627  -6.685
  196    HE3  LYS  26           HE3      LYS  26  -4.950  20.476  -7.011
  197    HZ1  LYS  26           HZ1      LYS  26  -7.023  20.881  -9.101
  198    HZ2  LYS  26           HZ2      LYS  26  -6.006  22.046  -8.533
  199    HZ3  LYS  26           HZ3      LYS  26  -5.393  20.803  -9.350
  200    H    ILE  27           H        ILE  27  -4.834  17.417  -2.294
  201    HA   ILE  27           HA       ILE  27  -4.551  19.957  -1.052
  202    HB   ILE  27           HB       ILE  27  -2.679  17.568  -1.333
  203   HG12  ILE  27          HG12      ILE  27  -3.544  18.225   1.394
  204   HG13  ILE  27          HG13      ILE  27  -4.906  17.948   0.398
  205   HG21  ILE  27          HG21      ILE  27  -1.430  18.591   0.615
  206   HG22  ILE  27          HG22      ILE  27  -1.266  19.498  -0.887
  207   HG23  ILE  27          HG23      ILE  27  -2.396  20.058   0.378
  208   HD11  ILE  27          HD11      ILE  27  -3.925  15.650  -0.147
  209   HD12  ILE  27          HD12      ILE  27  -2.531  16.038   0.853
  210   HD13  ILE  27          HD13      ILE  27  -4.177  15.973   1.619
  211    H    LEU  28           H        LEU  28  -3.547  21.827  -1.760
  212    HA   LEU  28           HA       LEU  28  -1.226  21.566  -3.608
  213    HB2  LEU  28           HB2      LEU  28  -3.228  22.171  -4.831
  214    HB3  LEU  28           HB3      LEU  28  -3.703  23.379  -3.642
  215    HG   LEU  28           HG       LEU  28  -1.221  23.690  -5.387
  216   HD11  LEU  28          HD11      LEU  28  -3.221  23.346  -6.749
  217   HD12  LEU  28          HD12      LEU  28  -4.134  24.494  -5.749
  218   HD13  LEU  28          HD13      LEU  28  -2.797  25.064  -6.788
  219   HD21  LEU  28          HD21      LEU  28  -2.938  25.742  -3.859
  220   HD22  LEU  28          HD22      LEU  28  -1.234  25.340  -3.519
  221   HD23  LEU  28          HD23      LEU  28  -1.643  26.143  -5.006
  222    H    LYS  29           H        LYS  29  -2.911  23.966  -1.454
  223    HA   LYS  29           HA       LYS  29  -0.181  25.067  -0.969
  224    HB2  LYS  29           HB2      LYS  29  -2.429  26.396  -1.699
  225    HB3  LYS  29           HB3      LYS  29  -2.609  26.465   0.059
  226    HG2  LYS  29           HG2      LYS  29  -0.850  27.833   0.376
  227    HG3  LYS  29           HG3      LYS  29   0.030  27.300  -1.057
  228    HD2  LYS  29           HD2      LYS  29  -0.800  29.601  -1.348
  229    HD3  LYS  29           HD3      LYS  29  -1.512  28.490  -2.536
  230    HE2  LYS  29           HE2      LYS  29  -3.498  28.237  -1.065
  231    HE3  LYS  29           HE3      LYS  29  -2.752  29.388   0.078
  232    HZ1  LYS  29           HZ1      LYS  29  -3.217  31.145  -1.314
  233    HZ2  LYS  29           HZ2      LYS  29  -3.262  30.227  -2.699
  234    HZ3  LYS  29           HZ3      LYS  29  -4.493  30.203  -1.626
  235    H    ILE  30           H        ILE  30   0.777  24.455   0.972
  236    HA   ILE  30           HA       ILE  30  -1.088  23.213   2.924
  237    HB   ILE  30           HB       ILE  30   0.104  21.404   3.293
  238   HG12  ILE  30          HG12      ILE  30   2.381  22.248   3.540
  239   HG13  ILE  30          HG13      ILE  30   2.296  20.744   2.612
  240   HG21  ILE  30          HG21      ILE  30   0.468  21.769   0.268
  241   HG22  ILE  30          HG22      ILE  30   0.239  20.255   1.167
  242   HG23  ILE  30          HG23      ILE  30  -1.040  21.503   1.072
  243   HD11  ILE  30          HD11      ILE  30   3.858  22.400   1.633
  244   HD12  ILE  30          HD12      ILE  30   2.542  21.973   0.510
  245   HD13  ILE  30          HD13      ILE  30   2.480  23.508   1.413
  246    H    TRP  31           H        TRP  31  -0.700  23.403   4.900
  247    HA   TRP  31           HA       TRP  31   1.041  25.708   5.767
  248    HB2  TRP  31           HB2      TRP  31  -0.955  26.807   5.492
  249    HB3  TRP  31           HB3      TRP  31  -1.926  25.397   5.839
  250    HD1  TRP  31           HD1      TRP  31  -1.960  24.687   8.591
  251    HE1  TRP  31           HE1      TRP  31  -2.397  26.279  10.570
  252    HE3  TRP  31           HE3      TRP  31  -0.785  29.218   6.444
  253    HZ2  TRP  31           HZ2      TRP  31  -1.812  28.867  11.287
  254    HZ3  TRP  31           HZ3      TRP  31  -0.970  31.280   7.832
  255    HH2  TRP  31           HH2      TRP  31  -1.547  31.097  10.284
  256    H    ASP  32           H        ASP  32   1.490  25.898   7.994
  257    HA   ASP  32           HA       ASP  32   1.414  23.457   9.564
  258    HB2  ASP  32           HB2      ASP  32   3.367  23.301   7.971
  259    HB3  ASP  32           HB3      ASP  32   4.017  24.776   8.675
  260    HA   PRO  33           HA       PRO  33   0.864  27.055  12.272
  261    HB2  PRO  33           HB2      PRO  33   0.993  25.678  14.721
  262    HB3  PRO  33           HB3      PRO  33  -0.449  25.909  13.713
  263    HG2  PRO  33           HG2      PRO  33   1.498  23.578  13.709
  264    HG3  PRO  33           HG3      PRO  33  -0.307  23.512  13.709
  265    HD2  PRO  33           HD2      PRO  33   1.094  23.105  11.522
  266    HD3  PRO  33           HD3      PRO  33  -0.371  24.143  11.443
  267    H    SER  34           H        SER  34   3.731  25.099  12.158
  268    HA   SER  34           HA       SER  34   5.125  26.079  14.437
  269    HB2  SER  34           HB2      SER  34   6.331  25.151  11.797
  270    HB3  SER  34           HB3      SER  34   7.132  25.204  13.382
  271    HG   SER  34           HG       SER  34   5.040  23.545  12.456
  272    H    SER  35           H        SER  35   4.580  27.504  11.274
  273    HA   SER  35           HA       SER  35   5.978  29.980  12.206
  274    HB2  SER  35           HB2      SER  35   5.712  29.031   9.328
  275    HB3  SER  35           HB3      SER  35   6.609  30.440   9.918
  276    HG   SER  35           HG       SER  35   7.982  28.642   9.537
  277    H    LYS  36           H        LYS  36   2.986  28.571  11.481
  278    HA   LYS  36           HA       LYS  36   1.025  29.204  10.700
  279    HB2  LYS  36           HB2      LYS  36   1.788  31.524  12.465
  280    HB3  LYS  36           HB3      LYS  36   0.340  31.694  11.513
  281    HG2  LYS  36           HG2      LYS  36  -0.889  30.201  12.638
  282    HG3  LYS  36           HG3      LYS  36   0.436  29.082  12.908
  283    HD2  LYS  36           HD2      LYS  36   0.051  31.707  14.421
  284    HD3  LYS  36           HD3      LYS  36  -0.481  30.117  15.000
  285    HE2  LYS  36           HE2      LYS  36   1.833  29.272  14.952
  286    HE3  LYS  36           HE3      LYS  36   2.416  30.811  14.329
  287    HZ1  LYS  36           HZ1      LYS  36   2.749  30.636  16.707
  288    HZ2  LYS  36           HZ2      LYS  36   1.694  31.844  16.409
  289    HZ3  LYS  36           HZ3      LYS  36   1.153  30.410  16.977
  290    H    MET  37           H        MET  37   2.666  29.159   8.711
  291    HA   MET  37           HA       MET  37   1.581  31.105   6.858
  292    HB2  MET  37           HB2      MET  37   4.569  30.606   7.175
  293    HB3  MET  37           HB3      MET  37   3.826  31.441   5.805
  294    HG2  MET  37           HG2      MET  37   2.823  33.087   7.467
  295    HG3  MET  37           HG3      MET  37   3.794  32.324   8.711
  296    HE1  MET  37           HE1      MET  37   7.365  33.099   6.841
  297    HE2  MET  37           HE2      MET  37   6.437  31.751   7.608
  298    HE3  MET  37           HE3      MET  37   6.147  32.216   5.921
  299    H    TYR  38           H        TYR  38   2.472  30.161   4.568
  300    HA   TYR  38           HA       TYR  38   1.832  27.258   4.652
  301    HB2  TYR  38           HB2      TYR  38   0.387  27.620   2.797
  302    HB3  TYR  38           HB3      TYR  38  -0.027  28.735   4.101
  303    HD1  TYR  38           HD1      TYR  38   0.527  31.091   3.962
  304    HD2  TYR  38           HD2      TYR  38   1.356  28.465   0.687
  305    HE1  TYR  38           HE1      TYR  38   0.890  33.060   2.449
  306    HE2  TYR  38           HE2      TYR  38   1.456  30.362  -0.868
  307    HH   TYR  38           HH       TYR  38   1.183  33.778   0.232
  308    H    THR  39           H        THR  39   1.980  26.688   1.995
  309    HA   THR  39           HA       THR  39   4.411  27.441   0.694
  310    HB   THR  39           HB       THR  39   4.807  24.648   0.982
  311    HG1  THR  39           HG1      THR  39   3.451  24.954   2.987
  312   HG21  THR  39          HG21      THR  39   6.168  27.082   2.138
  313   HG22  THR  39          HG22      THR  39   6.817  25.436   2.383
  314   HG23  THR  39          HG23      THR  39   6.620  26.088   0.745
  315    H    SER  40           H        SER  40   4.523  26.081  -1.377
  316    HA   SER  40           HA       SER  40   2.420  24.183  -1.967
  317    HB2  SER  40           HB2      SER  40   1.259  26.424  -2.425
  318    HB3  SER  40           HB3      SER  40   2.365  26.493  -3.818
  319    HG   SER  40           HG       SER  40   0.693  24.298  -3.223
  320    H    ILE  41           H        ILE  41   2.730  23.615  -4.382
  321    HA   ILE  41           HA       ILE  41   5.361  24.217  -5.462
  322    HB   ILE  41           HB       ILE  41   5.757  21.770  -5.960
  323   HG12  ILE  41          HG12      ILE  41   4.831  20.101  -4.480
  324   HG13  ILE  41          HG13      ILE  41   3.560  21.225  -3.950
  325   HG21  ILE  41          HG21      ILE  41   6.756  21.296  -3.839
  326   HG22  ILE  41          HG22      ILE  41   6.948  23.013  -4.216
  327   HG23  ILE  41          HG23      ILE  41   5.737  22.503  -3.033
  328   HD11  ILE  41          HD11      ILE  41   3.901  20.575  -6.870
  329   HD12  ILE  41          HD12      ILE  41   3.090  19.426  -5.785
  330   HD13  ILE  41          HD13      ILE  41   2.428  21.044  -5.968
  331    HA   PRO  42           HA       PRO  42   2.745  24.898  -8.881
  332    HB2  PRO  42           HB2      PRO  42   4.539  25.304 -10.898
  333    HB3  PRO  42           HB3      PRO  42   4.505  26.321  -9.433
  334    HG2  PRO  42           HG2      PRO  42   6.205  23.814  -9.854
  335    HG3  PRO  42           HG3      PRO  42   6.796  25.467  -9.502
  336    HD2  PRO  42           HD2      PRO  42   6.394  23.834  -7.432
  337    HD3  PRO  42           HD3      PRO  42   5.613  25.449  -7.336
  338    H    ASN  43           H        ASN  43   3.452  21.809  -8.444
  339    HA   ASN  43           HA       ASN  43   3.526  20.654 -11.072
  340    HB2  ASN  43           HB2      ASN  43   4.176  19.413  -9.011
  341    HB3  ASN  43           HB3      ASN  43   2.495  19.478  -8.454
  342   HD21  ASN  43          HD21      ASN  43   4.472  18.343 -11.289
  343   HD22  ASN  43          HD22      ASN  43   3.477  16.942 -11.594
  344    H    ASP  44           H        ASP  44   0.931  22.118  -9.250
  345    HA   ASP  44           HA       ASP  44  -1.049  21.306 -11.279
  346    HB2  ASP  44           HB2      ASP  44  -0.937  19.741  -9.115
  347    HB3  ASP  44           HB3      ASP  44  -1.865  21.048  -8.392
  348    H    LYS  45           H        LYS  45  -3.305  22.522 -10.147
  349    HA   LYS  45           HA       LYS  45  -2.495  25.329  -9.651
  350    HB2  LYS  45           HB2      LYS  45  -3.716  26.130 -11.581
  351    HB3  LYS  45           HB3      LYS  45  -2.533  24.941 -12.131
  352    HG2  LYS  45           HG2      LYS  45  -4.311  23.208 -12.261
  353    HG3  LYS  45           HG3      LYS  45  -5.519  24.392 -11.767
  354    HD2  LYS  45           HD2      LYS  45  -3.829  24.491 -14.289
  355    HD3  LYS  45           HD3      LYS  45  -5.524  24.019 -14.198
  356    HE2  LYS  45           HE2      LYS  45  -4.397  26.780 -13.567
  357    HE3  LYS  45           HE3      LYS  45  -5.220  26.316 -15.055
  358    HZ1  LYS  45           HZ1      LYS  45  -6.716  27.447 -13.579
  359    HZ2  LYS  45           HZ2      LYS  45  -7.218  25.893 -13.707
  360    HZ3  LYS  45           HZ3      LYS  45  -6.439  26.429 -12.354
  361    HA   PRO  46           HA       PRO  46  -6.603  25.264  -7.706
  362    HB2  PRO  46           HB2      PRO  46  -6.987  27.887  -7.197
  363    HB3  PRO  46           HB3      PRO  46  -5.732  26.953  -6.309
  364    HG2  PRO  46           HG2      PRO  46  -5.381  28.802  -8.674
  365    HG3  PRO  46           HG3      PRO  46  -4.380  28.713  -7.197
  366    HD2  PRO  46           HD2      PRO  46  -3.744  27.479  -9.606
  367    HD3  PRO  46           HD3      PRO  46  -3.194  26.889  -8.012
  368    H    GLY  47           H        GLY  47  -8.735  26.658  -8.159
  369    HA2  GLY  47           HA2      GLY  47  -9.357  26.786 -10.947
  370    HA3  GLY  47           HA3      GLY  47 -10.277  27.419  -9.558
  371    H    GLY  48           H        GLY  48  -8.269  29.203  -8.546
  372    HA2  GLY  48           HA2      GLY  48  -9.050  31.470 -10.181
  373    HA3  GLY  48           HA3      GLY  48  -8.311  31.491  -8.579
  374    H    SER  49           H        SER  49  -6.261  29.591 -10.467
  375    HA   SER  49           HA       SER  49  -4.713  31.836 -11.594
  376    HB2  SER  49           HB2      SER  49  -3.428  29.912  -9.619
  377    HB3  SER  49           HB3      SER  49  -2.727  31.366 -10.331
  378    HG   SER  49           HG       SER  49  -4.285  32.591  -9.119
  379    H    SER  50           H        SER  50  -3.117  31.112 -13.096
  380    HA   SER  50           HA       SER  50  -3.818  28.815 -14.595
  381    HB2  SER  50           HB2      SER  50  -1.211  30.374 -14.690
  382    HB3  SER  50           HB3      SER  50  -1.979  29.470 -16.008
  383    HG   SER  50           HG       SER  50  -2.354  31.729 -16.177
  384    H    GLN  51           H        GLN  51  -1.548  29.179 -11.893
  385    HA   GLN  51           HA       GLN  51  -0.992  26.389 -11.771
  386    HB2  GLN  51           HB2      GLN  51   0.703  27.871 -13.475
  387    HB3  GLN  51           HB3      GLN  51   1.573  27.889 -11.941
  388    HG2  GLN  51           HG2      GLN  51   1.472  25.447 -11.816
  389    HG3  GLN  51           HG3      GLN  51   0.455  25.378 -13.265
  390   HE21  GLN  51          HE21      GLN  51   3.221  24.217 -12.720
  391   HE22  GLN  51          HE22      GLN  51   4.205  24.799 -14.053
  392    H    ALA  52           H        ALA  52   0.153  26.003  -9.790
  393    HA   ALA  52           HA       ALA  52  -0.152  27.995  -7.661
  394    HB1  ALA  52           HB1      ALA  52   0.793  26.218  -6.272
  395    HB2  ALA  52           HB2      ALA  52  -0.610  25.671  -7.232
  396    HB3  ALA  52           HB3      ALA  52   1.030  25.228  -7.733
  397    H    THR  53           H        THR  53   1.173  29.210  -9.235
  398    HA   THR  53           HA       THR  53   2.991  30.220 -10.093
  399    HB   THR  53           HB       THR  53   3.503  30.470  -7.121
  400    HG1  THR  53           HG1      THR  53   1.997  32.099  -7.226
  401   HG21  THR  53          HG21      THR  53   5.314  31.426  -8.473
  402   HG22  THR  53          HG22      THR  53   4.147  32.277  -9.497
  403   HG23  THR  53          HG23      THR  53   4.342  32.733  -7.779
  404    H    LYS  54           H        LYS  54   4.813  28.863  -7.356
  405    HA   LYS  54           HA       LYS  54   6.755  27.489  -8.981
  406    HB2  LYS  54           HB2      LYS  54   7.300  30.124  -8.937
  407    HB3  LYS  54           HB3      LYS  54   7.919  29.714  -7.322
  408    HG2  LYS  54           HG2      LYS  54   9.340  27.928  -8.401
  409    HG3  LYS  54           HG3      LYS  54   8.746  28.439  -9.976
  410    HD2  LYS  54           HD2      LYS  54  10.329  30.182  -8.039
  411    HD3  LYS  54           HD3      LYS  54  11.000  29.313  -9.428
  412    HE2  LYS  54           HE2      LYS  54   9.494  30.608 -10.949
  413    HE3  LYS  54           HE3      LYS  54   8.901  31.525  -9.555
  414    HZ1  LYS  54           HZ1      LYS  54  10.647  32.697 -10.727
  415    HZ2  LYS  54           HZ2      LYS  54  11.159  32.340  -9.215
  416    HZ3  LYS  54           HZ3      LYS  54  11.711  31.482 -10.498
  417    H    GLU  55           H        GLU  55   8.694  27.090  -6.967
  418    HA   GLU  55           HA       GLU  55   7.267  25.805  -4.812
  419    HB2  GLU  55           HB2      GLU  55  10.191  26.662  -5.042
  420    HB3  GLU  55           HB3      GLU  55   9.506  25.709  -3.713
  421    HG2  GLU  55           HG2      GLU  55   8.845  23.940  -5.336
  422    HG3  GLU  55           HG3      GLU  55   9.569  24.875  -6.648
  423    H    ILE  56           H        ILE  56   5.970  27.045  -3.549
  424    HA   ILE  56           HA       ILE  56   6.468  29.894  -3.466
  425    HB   ILE  56           HB       ILE  56   4.294  28.495  -1.867
  426   HG12  ILE  56          HG12      ILE  56   4.348  29.284  -4.815
  427   HG13  ILE  56          HG13      ILE  56   4.095  27.671  -4.144
  428   HG21  ILE  56          HG21      ILE  56   4.568  31.285  -3.108
  429   HG22  ILE  56          HG22      ILE  56   3.170  30.704  -2.194
  430   HG23  ILE  56          HG23      ILE  56   4.705  30.893  -1.379
  431   HD11  ILE  56          HD11      ILE  56   2.168  29.997  -4.168
  432   HD12  ILE  56          HD12      ILE  56   2.040  28.370  -4.886
  433   HD13  ILE  56          HD13      ILE  56   1.916  28.595  -3.099
  434    H    LYS  57           H        LYS  57   7.299  31.082  -1.845
  435    HA   LYS  57           HA       LYS  57   8.755  29.670   0.299
  436    HB2  LYS  57           HB2      LYS  57   8.679  32.511  -0.787
  437    HB3  LYS  57           HB3      LYS  57   9.173  32.245   0.877
  438    HG2  LYS  57           HG2      LYS  57  11.138  32.336  -0.568
  439    HG3  LYS  57           HG3      LYS  57  10.986  30.785   0.246
  440    HD2  LYS  57           HD2      LYS  57  11.764  30.433  -2.020
  441    HD3  LYS  57           HD3      LYS  57  10.182  29.723  -1.814
  442    HE2  LYS  57           HE2      LYS  57  10.224  30.776  -3.958
  443    HE3  LYS  57           HE3      LYS  57   9.165  31.740  -2.937
  444    HZ1  LYS  57           HZ1      LYS  57  11.981  32.404  -3.591
  445    HZ2  LYS  57           HZ2      LYS  57  10.662  33.119  -4.232
  446    HZ3  LYS  57           HZ3      LYS  57  11.004  33.318  -2.646
  447    HA   PRO  58           HA       PRO  58   5.318  30.240   3.000
  448    HB2  PRO  58           HB2      PRO  58   7.473  30.836   5.060
  449    HB3  PRO  58           HB3      PRO  58   6.023  29.780   5.248
  450    HG2  PRO  58           HG2      PRO  58   8.489  28.748   4.843
  451    HG3  PRO  58           HG3      PRO  58   7.091  28.077   3.939
  452    HD2  PRO  58           HD2      PRO  58   9.145  30.106   3.013
  453    HD3  PRO  58           HD3      PRO  58   8.471  28.684   2.156
  454    H    GLN  59           H        GLN  59   4.041  31.952   3.172
  455    HA   GLN  59           HA       GLN  59   5.266  34.593   3.872
  456    HB2  GLN  59           HB2      GLN  59   3.319  33.973   1.616
  457    HB3  GLN  59           HB3      GLN  59   3.516  35.595   2.296
  458    HG2  GLN  59           HG2      GLN  59   5.918  35.575   1.735
  459    HG3  GLN  59           HG3      GLN  59   5.758  33.967   1.036
  460   HE21  GLN  59          HE21      GLN  59   4.577  37.366   0.702
  461   HE22  GLN  59          HE22      GLN  59   4.253  37.259  -1.011
  462    H    LYS  60           H        LYS  60   4.094  35.934   5.045
  463    HA   LYS  60           HA       LYS  60   2.469  35.182   7.047
  464    HB2  LYS  60           HB2      LYS  60   3.689  37.449   6.506
  465    HB3  LYS  60           HB3      LYS  60   2.167  37.902   5.758
  466    HG2  LYS  60           HG2      LYS  60   1.415  36.986   8.344
  467    HG3  LYS  60           HG3      LYS  60   2.968  37.731   8.617
  468    HD2  LYS  60           HD2      LYS  60   1.200  39.357   8.995
  469    HD3  LYS  60           HD3      LYS  60   2.184  39.843   7.620
  470    HE2  LYS  60           HE2      LYS  60  -0.164  40.269   7.161
  471    HE3  LYS  60           HE3      LYS  60   0.450  39.053   6.047
  472    HZ1  LYS  60           HZ1      LYS  60  -1.679  38.408   6.849
  473    HZ2  LYS  60           HZ2      LYS  60  -0.605  37.349   7.438
  474    HZ3  LYS  60           HZ3      LYS  60  -1.230  38.520   8.429
  475    H    LEU  61           H        LEU  61   1.373  35.465   4.000
  476    HA   LEU  61           HA       LEU  61  -0.495  35.341   2.853
  477    HB2  LEU  61           HB2      LEU  61  -1.175  33.316   3.127
  478    HB3  LEU  61           HB3      LEU  61  -0.245  33.236   4.613
  479    HG   LEU  61           HG       LEU  61  -3.250  33.682   4.372
  480   HD11  LEU  61          HD11      LEU  61  -1.679  31.369   5.474
  481   HD12  LEU  61          HD12      LEU  61  -3.420  31.536   5.076
  482   HD13  LEU  61          HD13      LEU  61  -2.212  31.508   3.782
  483   HD21  LEU  61          HD21      LEU  61  -1.501  33.473   6.859
  484   HD22  LEU  61          HD22      LEU  61  -2.506  34.860   6.403
  485   HD23  LEU  61          HD23      LEU  61  -3.279  33.328   6.829
  486    H    GLY  62           H        GLY  62  -3.050  35.107   2.947
  487    HA2  GLY  62           HA2      GLY  62  -5.020  36.007   3.968
  488    HA3  GLY  62           HA3      GLY  62  -4.138  37.466   4.442
  489    H    GLU  63           H        GLU  63  -3.256  36.431   1.302
  490    HA   GLU  63           HA       GLU  63  -4.364  38.856   0.148
  491    HB2  GLU  63           HB2      GLU  63  -2.822  36.505  -1.049
  492    HB3  GLU  63           HB3      GLU  63  -3.243  37.972  -1.930
  493    HG2  GLU  63           HG2      GLU  63  -1.450  37.855   0.537
  494    HG3  GLU  63           HG3      GLU  63  -0.904  37.996  -1.125
  495    H    ASP  64           H        ASP  64  -5.209  35.394   0.169
  496    HA   ASP  64           HA       ASP  64  -7.694  35.991  -1.369
  497    HB2  ASP  64           HB2      ASP  64  -5.857  35.506  -3.004
  498    HB3  ASP  64           HB3      ASP  64  -5.607  33.941  -2.234
  499    H    GLU  65           H        GLU  65  -6.146  34.248   1.176
  500    HA   GLU  65           HA       GLU  65  -8.360  32.255   1.348
  501    HB2  GLU  65           HB2      GLU  65  -6.701  30.559   1.655
  502    HB3  GLU  65           HB3      GLU  65  -6.417  31.337   0.111
  503    HG2  GLU  65           HG2      GLU  65  -4.863  31.911   2.670
  504    HG3  GLU  65           HG3      GLU  65  -4.371  30.791   1.409
  505    H    SER  66           H        SER  66  -8.589  31.448   3.561
  506    HA   SER  66           HA       SER  66  -6.973  32.692   5.707
  507    HB2  SER  66           HB2      SER  66 -10.022  32.762   5.642
  508    HB3  SER  66           HB3      SER  66  -8.978  33.313   6.961
  509    HG   SER  66           HG       SER  66  -9.736  35.046   5.645
  510    H    ILE  67           H        ILE  67  -6.532  31.118   7.215
  511    HA   ILE  67           HA       ILE  67  -8.097  28.600   7.180
  512    HB   ILE  67           HB       ILE  67  -6.295  28.103   9.052
  513   HG12  ILE  67          HG12      ILE  67  -5.060  30.328   8.712
  514   HG13  ILE  67          HG13      ILE  67  -4.129  28.857   8.739
  515   HG21  ILE  67          HG21      ILE  67  -5.722  27.789   6.135
  516   HG22  ILE  67          HG22      ILE  67  -4.848  26.999   7.476
  517   HG23  ILE  67          HG23      ILE  67  -6.558  26.630   7.242
  518   HD11  ILE  67          HD11      ILE  67  -4.944  30.114   6.129
  519   HD12  ILE  67          HD12      ILE  67  -3.480  30.565   7.040
  520   HD13  ILE  67          HD13      ILE  67  -3.691  28.904   6.439
  521    HA   PRO  68           HA       PRO  68 -10.048  30.569  10.845
  522    HB2  PRO  68           HB2      PRO  68 -11.150  27.759  11.101
  523    HB3  PRO  68           HB3      PRO  68 -11.992  29.322  11.351
  524    HG2  PRO  68           HG2      PRO  68 -12.353  27.952   9.053
  525    HG3  PRO  68           HG3      PRO  68 -12.077  29.726   8.987
  526    HD2  PRO  68           HD2      PRO  68 -10.109  27.497   8.516
  527    HD3  PRO  68           HD3      PRO  68 -10.347  28.999   7.580
  528    H    GLU  69           H        GLU  69  -9.665  30.354  13.164
  529    HA   GLU  69           HA       GLU  69  -7.310  29.163  14.083
  530    HB2  GLU  69           HB2      GLU  69  -9.789  29.875  15.669
  531    HB3  GLU  69           HB3      GLU  69  -8.182  29.534  16.334
  532    HG2  GLU  69           HG2      GLU  69  -7.243  31.456  15.070
  533    HG3  GLU  69           HG3      GLU  69  -8.855  31.825  14.437
  534    H    GLU  70           H        GLU  70 -10.504  27.786  13.692
  535    HA   GLU  70           HA       GLU  70 -10.389  25.488  15.309
  536    HB2  GLU  70           HB2      GLU  70 -11.742  25.915  12.605
  537    HB3  GLU  70           HB3      GLU  70 -12.070  24.575  13.709
  538    HG2  GLU  70           HG2      GLU  70 -12.772  26.217  15.471
  539    HG3  GLU  70           HG3      GLU  70 -12.541  27.528  14.317
  540    H    ILE  71           H        ILE  71  -8.765  26.147  12.224
  541    HA   ILE  71           HA       ILE  71  -7.846  23.302  12.164
  542    HB   ILE  71           HB       ILE  71  -7.579  23.516   9.775
  543   HG12  ILE  71          HG12      ILE  71  -8.987  26.201   9.967
  544   HG13  ILE  71          HG13      ILE  71  -7.308  25.952   9.501
  545   HG21  ILE  71          HG21      ILE  71 -10.416  24.252  10.570
  546   HG22  ILE  71          HG22      ILE  71  -9.896  23.258   9.202
  547   HG23  ILE  71          HG23      ILE  71  -9.690  22.644  10.847
  548   HD11  ILE  71          HD11      ILE  71  -8.123  24.584   7.532
  549   HD12  ILE  71          HD12      ILE  71  -9.794  25.047   7.967
  550   HD13  ILE  71          HD13      ILE  71  -8.651  26.277   7.482
  551    H    ILE  72           H        ILE  72  -6.819  26.670  12.218
  552    HA   ILE  72           HA       ILE  72  -4.381  26.671  11.127
  553    HB   ILE  72           HB       ILE  72  -5.858  28.185  13.035
  554   HG12  ILE  72          HG12      ILE  72  -3.640  29.808  12.208
  555   HG13  ILE  72          HG13      ILE  72  -4.002  28.680  10.890
  556   HG21  ILE  72          HG21      ILE  72  -4.331  29.385  14.374
  557   HG22  ILE  72          HG22      ILE  72  -4.370  27.688  14.861
  558   HG23  ILE  72          HG23      ILE  72  -2.984  28.330  13.893
  559   HD11  ILE  72          HD11      ILE  72  -5.276  30.766  10.784
  560   HD12  ILE  72          HD12      ILE  72  -6.223  29.242  10.872
  561   HD13  ILE  72          HD13      ILE  72  -6.096  30.312  12.299
  562    H    ASN  73           H        ASN  73  -5.161  25.339  14.180
  563    HA   ASN  73           HA       ASN  73  -2.652  25.001  15.405
  564    HB2  ASN  73           HB2      ASN  73  -3.962  23.605  16.946
  565    HB3  ASN  73           HB3      ASN  73  -4.793  25.124  16.553
  566   HD21  ASN  73          HD21      ASN  73  -6.900  25.018  15.581
  567   HD22  ASN  73          HD22      ASN  73  -7.631  23.515  15.095
  568    H    GLY  74           H        GLY  74  -3.779  23.341  12.744
  569    HA2  GLY  74           HA2      GLY  74  -1.776  21.171  13.102
  570    HA3  GLY  74           HA3      GLY  74  -3.415  20.720  12.596
  571    H    LYS  75           H        LYS  75  -1.757  20.009  11.091
  572    HA   LYS  75           HA       LYS  75  -0.799  21.543   8.897
  573    HB2  LYS  75           HB2      LYS  75  -1.568  18.681   9.450
  574    HB3  LYS  75           HB3      LYS  75  -1.536  19.175   7.764
  575    HG2  LYS  75           HG2      LYS  75   0.747  19.694   9.660
  576    HG3  LYS  75           HG3      LYS  75   0.609  18.189   8.716
  577    HD2  LYS  75           HD2      LYS  75   1.264  19.116   6.766
  578    HD3  LYS  75           HD3      LYS  75   0.316  20.572   7.011
  579    HE2  LYS  75           HE2      LYS  75   2.643  21.196   6.943
  580    HE3  LYS  75           HE3      LYS  75   1.990  21.464   8.554
  581    HZ1  LYS  75           HZ1      LYS  75   4.077  20.502   8.811
  582    HZ2  LYS  75           HZ2      LYS  75   3.033  19.309   9.192
  583    HZ3  LYS  75           HZ3      LYS  75   3.797  19.275   7.737
  584    H    CYS  76           H        CYS  76  -1.896  22.615   7.351
  585    HA   CYS  76           HA       CYS  76  -4.781  21.948   6.989
  586    HB2  CYS  76           HB2      CYS  76  -3.611  24.766   6.870
  587    HB3  CYS  76           HB3      CYS  76  -5.241  24.305   6.398
  588    HG   CYS  76           HG       CYS  76  -3.863  23.748   9.368
  589    H    PHE  77           H        PHE  77  -5.478  21.909   4.917
  590    HA   PHE  77           HA       PHE  77  -3.444  22.296   2.764
  591    HB2  PHE  77           HB2      PHE  77  -5.533  20.087   2.944
  592    HB3  PHE  77           HB3      PHE  77  -4.288  20.305   1.719
  593    HD1  PHE  77           HD1      PHE  77  -1.862  20.242   2.530
  594    HD2  PHE  77           HD2      PHE  77  -5.114  19.001   4.971
  595    HE1  PHE  77           HE1      PHE  77  -0.208  19.214   4.091
  596    HE2  PHE  77           HE2      PHE  77  -3.536  17.928   6.536
  597    HZ   PHE  77           HZ       PHE  77  -1.073  17.923   6.045
  598    H    PHE  78           H        PHE  78  -4.102  23.844   1.535
  599    HA   PHE  78           HA       PHE  78  -6.853  24.684   1.039
  600    HB2  PHE  78           HB2      PHE  78  -4.786  26.176   0.943
  601    HB3  PHE  78           HB3      PHE  78  -4.302  25.249  -0.470
  602    HD1  PHE  78           HD1      PHE  78  -7.071  27.375   0.893
  603    HD2  PHE  78           HD2      PHE  78  -5.047  25.894  -2.619
  604    HE1  PHE  78           HE1      PHE  78  -8.379  28.936  -0.539
  605    HE2  PHE  78           HE2      PHE  78  -6.297  27.498  -4.020
  606    HZ   PHE  78           HZ       PHE  78  -7.946  29.053  -2.978
  607    H    ILE  79           H        ILE  79  -8.076  23.306  -0.079
  608    HA   ILE  79           HA       ILE  79  -6.781  21.451  -1.987
  609    HB   ILE  79           HB       ILE  79  -8.734  19.920  -1.261
  610   HG12  ILE  79          HG12      ILE  79  -8.804  21.590   1.245
  611   HG13  ILE  79          HG13      ILE  79  -9.839  22.017  -0.108
  612   HG21  ILE  79          HG21      ILE  79  -7.533  19.468   1.040
  613   HG22  ILE  79          HG22      ILE  79  -6.732  19.115  -0.483
  614   HG23  ILE  79          HG23      ILE  79  -6.331  20.583   0.441
  615   HD11  ILE  79          HD11      ILE  79 -10.971  19.924  -0.090
  616   HD12  ILE  79          HD12      ILE  79 -10.029  19.424   1.353
  617   HD13  ILE  79          HD13      ILE  79 -11.099  20.861   1.413
  618    H    HIS  80           H        HIS  80  -7.833  20.960  -3.900
  619    HA   HIS  80           HA       HIS  80 -10.183  22.692  -4.554
  620    HB2  HIS  80           HB2      HIS  80  -8.386  22.154  -6.262
  621    HB3  HIS  80           HB3      HIS  80  -9.023  20.488  -6.250
  622    HD2  HIS  80           HD2      HIS  80  -9.915  24.045  -7.336
  623    HE1  HIS  80           HE1      HIS  80 -12.877  21.471  -9.006
  624    HE2  HIS  80           HE2      HIS  80 -11.969  23.839  -9.000
  625    H    TYR  81           H        TYR  81 -12.137  21.947  -3.987
  626    HA   TYR  81           HA       TYR  81 -12.463  19.139  -3.085
  627    HB2  TYR  81           HB2      TYR  81 -14.342  21.475  -3.002
  628    HB3  TYR  81           HB3      TYR  81 -14.944  19.824  -2.958
  629    HD1  TYR  81           HD1      TYR  81 -14.237  18.197  -1.142
  630    HD2  TYR  81           HD2      TYR  81 -13.416  22.432  -0.928
  631    HE1  TYR  81           HE1      TYR  81 -14.268  18.063   1.289
  632    HE2  TYR  81           HE2      TYR  81 -13.446  22.307   1.542
  633    HH   TYR  81           HH       TYR  81 -14.124  19.259   3.317
  634    H    GLN  82           H        GLN  82 -12.568  17.714  -4.693
  635    HA   GLN  82           HA       GLN  82 -13.145  18.626  -7.422
  636    HB2  GLN  82           HB2      GLN  82 -12.548  15.785  -6.554
  637    HB3  GLN  82           HB3      GLN  82 -12.402  16.488  -8.160
  638    HG2  GLN  82           HG2      GLN  82 -10.585  18.007  -7.270
  639    HG3  GLN  82           HG3      GLN  82 -10.729  17.182  -5.707
  640   HE21  GLN  82          HE21      GLN  82  -9.372  15.557  -5.347
  641   HE22  GLN  82          HE22      GLN  82  -8.566  14.605  -6.580
  642    H    GLY  83           H        GLY  83 -14.775  17.630  -8.773
  643    HA2  GLY  83           HA2      GLY  83 -16.956  16.969  -9.194
  644    HA3  GLY  83           HA3      GLY  83 -17.041  16.221  -7.587
  645    H    TRP  84           H        TRP  84 -15.910  19.428  -7.185
  646    HA   TRP  84           HA       TRP  84 -18.658  20.556  -7.088
  647    HB2  TRP  84           HB2      TRP  84 -16.661  20.696  -4.785
  648    HB3  TRP  84           HB3      TRP  84 -18.221  21.526  -4.904
  649    HD1  TRP  84           HD1      TRP  84 -16.846  18.452  -3.461
  650    HE1  TRP  84           HE1      TRP  84 -18.798  17.028  -2.561
  651    HE3  TRP  84           HE3      TRP  84 -20.666  20.716  -5.930
  652    HZ2  TRP  84           HZ2      TRP  84 -21.642  17.048  -2.750
  653    HZ3  TRP  84           HZ3      TRP  84 -23.037  20.016  -5.550
  654    HH2  TRP  84           HH2      TRP  84 -23.541  18.185  -3.944
  655    H    LYS  85           H        LYS  85 -18.499  22.987  -6.645
  656    HA   LYS  85           HA       LYS  85 -17.243  24.049  -8.996
  657    HB2  LYS  85           HB2      LYS  85 -18.274  25.526  -6.527
  658    HB3  LYS  85           HB3      LYS  85 -17.969  26.241  -8.098
  659    HG2  LYS  85           HG2      LYS  85 -20.159  24.216  -7.443
  660    HG3  LYS  85           HG3      LYS  85 -20.343  25.944  -7.685
  661    HD2  LYS  85           HD2      LYS  85 -21.037  25.168  -9.721
  662    HD3  LYS  85           HD3      LYS  85 -19.337  25.508 -10.080
  663    HE2  LYS  85           HE2      LYS  85 -18.832  23.064  -9.743
  664    HE3  LYS  85           HE3      LYS  85 -20.533  22.784  -9.357
  665    HZ1  LYS  85           HZ1      LYS  85 -21.105  23.485 -11.596
  666    HZ2  LYS  85           HZ2      LYS  85 -19.539  23.777 -11.967
  667    HZ3  LYS  85           HZ3      LYS  85 -20.041  22.252 -11.659
  668    H    SER  86           H        SER  86 -15.294  25.076  -9.280
  669    HA   SER  86           HA       SER  86 -13.215  24.857  -7.464
  670    HB2  SER  86           HB2      SER  86 -13.532  26.970  -9.633
  671    HB3  SER  86           HB3      SER  86 -12.007  26.388  -8.925
  672    HG   SER  86           HG       SER  86 -12.688  25.392 -10.995
  673    H    SER  87           H        SER  87 -15.815  27.189  -7.243
  674    HA   SER  87           HA       SER  87 -14.600  29.200  -5.703
  675    HB2  SER  87           HB2      SER  87 -17.342  28.002  -5.195
  676    HB3  SER  87           HB3      SER  87 -16.810  29.679  -4.956
  677    HG   SER  87           HG       SER  87 -18.029  29.450  -6.882
  678    H    TRP  88           H        TRP  88 -15.194  25.820  -4.947
  679    HA   TRP  88           HA       TRP  88 -14.864  26.089  -2.066
  680    HB2  TRP  88           HB2      TRP  88 -15.116  23.698  -3.930
  681    HB3  TRP  88           HB3      TRP  88 -14.893  23.585  -2.212
  682    HD1  TRP  88           HD1      TRP  88 -17.518  25.800  -4.031
  683    HE1  TRP  88           HE1      TRP  88 -19.767  25.311  -2.964
  684    HE3  TRP  88           HE3      TRP  88 -16.065  22.143  -0.804
  685    HZ2  TRP  88           HZ2      TRP  88 -20.895  23.313  -1.152
  686    HZ3  TRP  88           HZ3      TRP  88 -17.758  20.870   0.511
  687    HH2  TRP  88           HH2      TRP  88 -20.167  21.456   0.353
  688    H    ASP  89           H        ASP  89 -12.542  26.812  -4.175
  689    HA   ASP  89           HA       ASP  89 -10.416  25.003  -3.321
  690    HB2  ASP  89           HB2      ASP  89 -10.512  27.650  -4.778
  691    HB3  ASP  89           HB3      ASP  89  -9.025  27.100  -4.011
  692    H    GLU  90           H        GLU  90 -10.521  24.821  -1.106
  693    HA   GLU  90           HA       GLU  90 -10.297  27.246   0.599
  694    HB2  GLU  90           HB2      GLU  90 -12.712  26.415   0.253
  695    HB3  GLU  90           HB3      GLU  90 -12.187  24.829   0.848
  696    HG2  GLU  90           HG2      GLU  90 -13.424  26.137   2.525
  697    HG3  GLU  90           HG3      GLU  90 -11.822  25.675   3.058
  698    H    TRP  91           H        TRP  91  -9.223  26.746   2.689
  699    HA   TRP  91           HA       TRP  91  -7.922  24.135   2.639
  700    HB2  TRP  91           HB2      TRP  91  -7.507  25.519   5.155
  701    HB3  TRP  91           HB3      TRP  91  -6.384  24.731   4.088
  702    HD1  TRP  91           HD1      TRP  91  -8.335  28.032   4.213
  703    HE1  TRP  91           HE1      TRP  91  -6.661  29.937   4.089
  704    HE3  TRP  91           HE3      TRP  91  -3.971  25.366   3.450
  705    HZ2  TRP  91           HZ2      TRP  91  -3.934  30.287   3.468
  706    HZ3  TRP  91           HZ3      TRP  91  -1.833  26.616   3.056
  707    HH2  TRP  91           HH2      TRP  91  -1.861  29.112   2.984
  708    H    VAL  92           H        VAL  92  -7.891  22.648   4.199
  709    HA   VAL  92           HA       VAL  92  -9.861  22.814   6.418
  710    HB   VAL  92           HB       VAL  92 -10.148  20.272   6.119
  711   HG11  VAL  92          HG11      VAL  92 -11.535  22.084   4.124
  712   HG12  VAL  92          HG12      VAL  92 -12.070  20.492   4.732
  713   HG13  VAL  92          HG13      VAL  92 -11.980  21.870   5.840
  714   HG21  VAL  92          HG21      VAL  92 -10.129  19.397   3.874
  715   HG22  VAL  92          HG22      VAL  92  -9.517  20.933   3.239
  716   HG23  VAL  92          HG23      VAL  92  -8.495  19.983   4.319
  717    H    GLY  93           H        GLY  93  -9.235  21.561   8.236
  718    HA2  GLY  93           HA2      GLY  93  -6.318  21.130   8.460
  719    HA3  GLY  93           HA3      GLY  93  -7.493  21.181   9.778
  720    H    TYR  94           H        TYR  94  -5.760  19.138   9.729
  721    HA   TYR  94           HA       TYR  94  -6.582  16.798   8.395
  722    HB2  TYR  94           HB2      TYR  94  -4.581  17.611  10.164
  723    HB3  TYR  94           HB3      TYR  94  -5.407  16.299  11.028
  724    HD1  TYR  94           HD1      TYR  94  -6.019  14.233   9.461
  725    HD2  TYR  94           HD2      TYR  94  -2.956  17.130   8.677
  726    HE1  TYR  94           HE1      TYR  94  -5.214  12.838   7.581
  727    HE2  TYR  94           HE2      TYR  94  -2.163  15.762   6.741
  728    HH   TYR  94           HH       TYR  94  -2.516  13.801   5.458
  729    H    ASP  95           H        ASP  95  -7.891  18.328  11.210
  730    HA   ASP  95           HA       ASP  95  -9.503  16.256  12.293
  731    HB2  ASP  95           HB2      ASP  95  -9.203  18.435  13.373
  732    HB3  ASP  95           HB3      ASP  95 -10.018  19.240  12.031
  733    H    ARG  96           H        ARG  96  -9.782  17.990   9.256
  734    HA   ARG  96           HA       ARG  96 -12.480  16.808   8.731
  735    HB2  ARG  96           HB2      ARG  96 -11.125  19.360   7.939
  736    HB3  ARG  96           HB3      ARG  96 -12.044  18.537   6.681
  737    HG2  ARG  96           HG2      ARG  96 -13.408  20.189   7.709
  738    HG3  ARG  96           HG3      ARG  96 -14.063  18.589   8.024
  739    HD2  ARG  96           HD2      ARG  96 -13.326  18.661  10.329
  740    HD3  ARG  96           HD3      ARG  96 -12.461  20.194  10.054
  741    HE   ARG  96           HE       ARG  96 -14.976  20.786   9.218
  742   HH11  ARG  96          HH11      ARG  96 -13.806  19.471  12.342
  743   HH12  ARG  96          HH12      ARG  96 -15.170  20.071  13.219
  744   HH21  ARG  96          HH21      ARG  96 -16.724  21.597  10.421
  745   HH22  ARG  96          HH22      ARG  96 -16.834  21.316  12.123
  746    H    ILE  97           H        ILE  97  -9.099  17.056   7.341
  747    HA   ILE  97           HA       ILE  97 -10.041  15.246   5.194
  748    HB   ILE  97           HB       ILE  97  -9.253  17.579   4.820
  749   HG12  ILE  97          HG12      ILE  97  -7.643  15.479   3.324
  750   HG13  ILE  97          HG13      ILE  97  -9.245  16.079   2.893
  751   HG21  ILE  97          HG21      ILE  97  -7.139  17.229   6.453
  752   HG22  ILE  97          HG22      ILE  97  -6.374  16.763   4.909
  753   HG23  ILE  97          HG23      ILE  97  -7.228  18.341   5.062
  754   HD11  ILE  97          HD11      ILE  97  -8.087  18.411   2.896
  755   HD12  ILE  97          HD12      ILE  97  -6.583  17.473   2.727
  756   HD13  ILE  97          HD13      ILE  97  -7.886  17.330   1.534
  757    H    ARG  98           H        ARG  98  -8.729  13.652   4.273
  758    HA   ARG  98           HA       ARG  98  -6.136  12.962   5.563
  759    HB2  ARG  98           HB2      ARG  98  -8.294  11.028   4.799
  760    HB3  ARG  98           HB3      ARG  98  -6.606  10.637   5.239
  761    HG2  ARG  98           HG2      ARG  98  -7.125  11.706   7.534
  762    HG3  ARG  98           HG3      ARG  98  -8.830  11.795   7.007
  763    HD2  ARG  98           HD2      ARG  98  -8.592   9.373   6.366
  764    HD3  ARG  98           HD3      ARG  98  -7.045   9.363   7.216
  765    HE   ARG  98           HE       ARG  98  -8.338   9.961   9.281
  766   HH11  ARG  98          HH11      ARG  98 -10.100   8.333   6.608
  767   HH12  ARG  98          HH12      ARG  98 -11.319   7.701   7.649
  768   HH21  ARG  98          HH21      ARG  98  -9.961   9.088  10.627
  769   HH22  ARG  98          HH22      ARG  98 -11.232   8.122   9.979
  770    H    ALA  99           H        ALA  99  -4.735  11.863   3.975
  771    HA   ALA  99           HA       ALA  99  -4.992  12.818   1.278
  772    HB1  ALA  99           HB1      ALA  99  -2.883  11.805   0.953
  773    HB2  ALA  99           HB2      ALA  99  -2.929  12.242   2.693
  774    HB3  ALA  99           HB3      ALA  99  -3.256  10.574   2.254
  775    H    TYR 100           H        TYR 100  -4.751  11.306  -0.632
  776    HA   TYR 100           HA       TYR 100  -7.039   9.604  -0.705
  777    HB2  TYR 100           HB2      TYR 100  -5.576  10.839  -2.544
  778    HB3  TYR 100           HB3      TYR 100  -4.930   9.239  -2.757
  779    HD1  TYR 100           HD1      TYR 100  -8.211  11.081  -2.603
  780    HD2  TYR 100           HD2      TYR 100  -6.065   7.641  -4.095
  781    HE1  TYR 100           HE1      TYR 100 -10.150  10.494  -4.011
  782    HE2  TYR 100           HE2      TYR 100  -8.021   7.039  -5.500
  783    HH   TYR 100           HH       TYR 100 -11.034   9.000  -5.573
  784    H    ASN 101           H        ASN 101  -7.244   7.551  -0.018
  785    HA   ASN 101           HA       ASN 101  -5.349   5.525  -0.647
  786    HB2  ASN 101           HB2      ASN 101  -4.582   4.793   1.516
  787    HB3  ASN 101           HB3      ASN 101  -4.150   6.479   1.356
  788   HD21  ASN 101          HD21      ASN 101  -5.202   8.060   2.654
  789   HD22  ASN 101          HD22      ASN 101  -6.093   7.575   4.070
  790    H    GLU 102           H        GLU 102  -5.924   3.383   0.375
  791    HA   GLU 102           HA       GLU 102  -8.484   2.773  -0.526
  792    HB2  GLU 102           HB2      GLU 102  -6.411   1.312  -0.418
  793    HB3  GLU 102           HB3      GLU 102  -6.728   1.082   1.309
  794    HG2  GLU 102           HG2      GLU 102  -8.892   0.015   0.778
  795    HG3  GLU 102           HG3      GLU 102  -8.677   0.366  -0.936
  796    H    GLU 103           H        GLU 103  -7.450   3.438   2.830
  797    HA   GLU 103           HA       GLU 103  -9.895   2.360   4.007
  798    HB2  GLU 103           HB2      GLU 103  -8.256   2.334   5.558
  799    HB3  GLU 103           HB3      GLU 103  -7.426   3.741   4.954
  800    HG2  GLU 103           HG2      GLU 103  -9.008   5.255   6.001
  801    HG3  GLU 103           HG3      GLU 103 -10.022   3.896   6.528
  802    H    ASN 104           H        ASN 104  -8.971   5.416   2.446
  803    HA   ASN 104           HA       ASN 104 -11.324   6.849   3.577
  804    HB2  ASN 104           HB2      ASN 104  -9.322   7.714   1.553
  805    HB3  ASN 104           HB3      ASN 104 -10.775   8.613   2.085
  806   HD21  ASN 104          HD21      ASN 104  -7.654   9.010   2.530
  807   HD22  ASN 104          HD22      ASN 104  -7.598   9.281   4.242
  808    H    ILE 105           H        ILE 105 -10.311   4.965   0.727
  809    HA   ILE 105           HA       ILE 105 -12.754   5.639  -0.651
  810    HB   ILE 105           HB       ILE 105 -10.566   3.614  -0.907
  811   HG12  ILE 105          HG12      ILE 105  -9.630   5.117  -2.286
  812   HG13  ILE 105          HG13      ILE 105 -11.157   5.356  -3.187
  813   HG21  ILE 105          HG21      ILE 105 -13.101   3.824  -2.547
  814   HG22  ILE 105          HG22      ILE 105 -11.616   2.994  -3.105
  815   HG23  ILE 105          HG23      ILE 105 -12.461   2.447  -1.643
  816   HD11  ILE 105          HD11      ILE 105 -10.196   6.998  -0.804
  817   HD12  ILE 105          HD12      ILE 105 -10.182   7.483  -2.482
  818   HD13  ILE 105          HD13      ILE 105 -11.738   7.256  -1.662
  819    H    ALA 106           H        ALA 106 -11.779   3.155   1.777
  820    HA   ALA 106           HA       ALA 106 -14.157   1.591   1.392
  821    HB1  ALA 106           HB1      ALA 106 -12.076   0.902   2.573
  822    HB2  ALA 106           HB2      ALA 106 -12.464   2.004   3.910
  823    HB3  ALA 106           HB3      ALA 106 -13.545   0.633   3.558
  824    H    MET 107           H        MET 107 -13.324   4.351   3.546
  825    HA   MET 107           HA       MET 107 -15.916   4.676   4.667
  826    HB2  MET 107           HB2      MET 107 -15.065   6.374   5.828
  827    HB3  MET 107           HB3      MET 107 -13.535   5.779   5.186
  828    HG2  MET 107           HG2      MET 107 -13.990   7.541   3.304
  829    HG3  MET 107           HG3      MET 107 -15.135   8.206   4.454
  830    HE1  MET 107           HE1      MET 107 -11.910  10.460   4.322
  831    HE2  MET 107           HE2      MET 107 -12.765   9.482   3.060
  832    HE3  MET 107           HE3      MET 107 -13.714  10.370   4.282
  833    H    LYS 108           H        LYS 108 -14.486   6.210   1.704
  834    HA   LYS 108           HA       LYS 108 -16.655   7.665   0.894
  835    HB2  LYS 108           HB2      LYS 108 -14.540   7.729  -0.327
  836    HB3  LYS 108           HB3      LYS 108 -14.724   6.049  -0.788
  837    HG2  LYS 108           HG2      LYS 108 -15.131   7.362  -2.696
  838    HG3  LYS 108           HG3      LYS 108 -16.566   6.485  -2.268
  839    HD2  LYS 108           HD2      LYS 108 -17.741   8.414  -2.383
  840    HD3  LYS 108           HD3      LYS 108 -16.898   8.983  -0.949
  841    HE2  LYS 108           HE2      LYS 108 -16.436  10.655  -2.526
  842    HE3  LYS 108           HE3      LYS 108 -14.968   9.631  -2.585
  843    HZ1  LYS 108           HZ1      LYS 108 -17.224   9.621  -4.525
  844    HZ2  LYS 108           HZ2      LYS 108 -15.702  10.174  -4.793
  845    HZ3  LYS 108           HZ3      LYS 108 -15.961   8.570  -4.578
  846    H    LYS 109           H        LYS 109 -15.896   4.251   0.120
  847    HA   LYS 109           HA       LYS 109 -18.036   3.604  -1.491
  848    HB2  LYS 109           HB2      LYS 109 -16.330   1.931   0.405
  849    HB3  LYS 109           HB3      LYS 109 -17.566   1.172  -0.572
  850    HG2  LYS 109           HG2      LYS 109 -15.497   2.892  -1.939
  851    HG3  LYS 109           HG3      LYS 109 -14.997   1.336  -1.273
  852    HD2  LYS 109           HD2      LYS 109 -15.548   1.114  -3.610
  853    HD3  LYS 109           HD3      LYS 109 -16.703   0.185  -2.611
  854    HE2  LYS 109           HE2      LYS 109 -18.281   2.093  -2.694
  855    HE3  LYS 109           HE3      LYS 109 -17.120   3.009  -3.673
  856    HZ1  LYS 109           HZ1      LYS 109 -17.393   1.342  -5.439
  857    HZ2  LYS 109           HZ2      LYS 109 -18.450   0.491  -4.529
  858    HZ3  LYS 109           HZ3      LYS 109 -18.840   1.986  -5.057
  859    H    ARG 110           H        ARG 110 -17.923   3.150   2.087
  860    HA   ARG 110           HA       ARG 110 -20.664   2.255   2.158
  861    HB2  ARG 110           HB2      ARG 110 -19.748   3.865   4.497
  862    HB3  ARG 110           HB3      ARG 110 -20.903   2.570   4.394
  863    HG2  ARG 110           HG2      ARG 110 -19.330   1.232   5.257
  864    HG3  ARG 110           HG3      ARG 110 -18.566   1.246   3.647
  865    HD2  ARG 110           HD2      ARG 110 -17.492   3.396   4.300
  866    HD3  ARG 110           HD3      ARG 110 -18.125   3.215   5.934
  867    HE   ARG 110           HE       ARG 110 -16.491   0.982   4.868
  868   HH11  ARG 110          HH11      ARG 110 -16.558   3.799   7.045
  869   HH12  ARG 110          HH12      ARG 110 -15.081   3.399   7.840
  870   HH21  ARG 110          HH21      ARG 110 -14.598   0.384   6.011
  871   HH22  ARG 110          HH22      ARG 110 -13.949   1.406   7.235
  872    H    LEU 111           H        LEU 111 -19.241   5.493   2.427
  873    HA   LEU 111           HA       LEU 111 -21.539   6.941   3.147
  874    HB2  LEU 111           HB2      LEU 111 -18.942   7.571   1.699
  875    HB3  LEU 111           HB3      LEU 111 -20.129   8.804   1.919
  876    HG   LEU 111           HG       LEU 111 -18.778   7.266   4.161
  877   HD11  LEU 111          HD11      LEU 111 -17.606   9.108   2.594
  878   HD12  LEU 111          HD12      LEU 111 -18.442  10.205   3.710
  879   HD13  LEU 111          HD13      LEU 111 -17.272   8.999   4.306
  880   HD21  LEU 111          HD21      LEU 111 -20.915   9.406   4.228
  881   HD22  LEU 111          HD22      LEU 111 -20.882   7.809   5.011
  882   HD23  LEU 111          HD23      LEU 111 -19.823   9.074   5.613
  883    H    ALA 112           H        ALA 112 -20.104   6.603  -0.100
  884    HA   ALA 112           HA       ALA 112 -22.178   7.913  -1.489
  885    HB1  ALA 112           HB1      ALA 112 -21.265   6.815  -3.495
  886    HB2  ALA 112           HB2      ALA 112 -19.994   7.476  -2.455
  887    HB3  ALA 112           HB3      ALA 112 -20.314   5.715  -2.464
  888    H    ASN 113           H        ASN 113 -22.224   4.669  -0.106
  889    HA   ASN 113           HA       ASN 113 -24.583   3.832  -1.620
  890    HB2  ASN 113           HB2      ASN 113 -23.843   1.882  -0.874
  891    HB3  ASN 113           HB3      ASN 113 -22.754   2.600   0.283
  892   HD21  ASN 113          HD21      ASN 113 -23.627   3.158   2.453
  893   HD22  ASN 113          HD22      ASN 113 -24.968   2.217   3.093
  894    H    LEU 114           H        LEU 114 -23.973   5.792   1.246
  895    HA   LEU 114           HA       LEU 114 -26.734   5.708   2.198
  896    HB2  LEU 114           HB2      LEU 114 -24.926   5.807   3.770
  897    HB3  LEU 114           HB3      LEU 114 -24.297   7.289   3.093
  898    HG   LEU 114           HG       LEU 114 -27.149   7.314   4.066
  899   HD11  LEU 114          HD11      LEU 114 -26.412   7.758   6.377
  900   HD12  LEU 114          HD12      LEU 114 -25.987   6.115   5.856
  901   HD13  LEU 114          HD13      LEU 114 -24.734   7.375   5.916
  902   HD21  LEU 114          HD21      LEU 114 -26.084   9.385   3.067
  903   HD22  LEU 114          HD22      LEU 114 -26.548   9.609   4.757
  904   HD23  LEU 114          HD23      LEU 114 -24.844   9.325   4.320
  905    H    GLU 115           H        GLU 115 -24.759   7.691   0.080
  906    HA   GLU 115           HA       GLU 115 -26.197  10.069  -0.051
  907    HB2  GLU 115           HB2      GLU 115 -24.037   9.548  -1.225
  908    HB3  GLU 115           HB3      GLU 115 -24.938   8.612  -2.412
  909    HG2  GLU 115           HG2      GLU 115 -26.215  10.649  -3.048
  910    HG3  GLU 115           HG3      GLU 115 -25.331  11.579  -1.839
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   1.120  -1.423  -4.471
    2    H2   MET   1           H2       MET   1   2.612  -2.041  -4.243
    3    H3   MET   1           H3       MET   1   1.299  -3.023  -4.142
    4    HA   MET   1           HA       MET   1   0.516  -1.849  -2.202
    5    HB2  MET   1           HB2      MET   1   3.399  -2.831  -1.973
    6    HB3  MET   1           HB3      MET   1   2.344  -2.459  -0.604
    7    HG2  MET   1           HG2      MET   1   1.875  -4.634  -2.673
    8    HG3  MET   1           HG3      MET   1   2.373  -4.846  -1.001
    9    HE1  MET   1           HE1      MET   1   0.508  -6.655  -0.622
   10    HE2  MET   1           HE2      MET   1  -1.208  -6.402  -1.010
   11    HE3  MET   1           HE3      MET   1  -0.004  -6.458  -2.316
   12    H    VAL   2           H        VAL   2   0.666  -0.066  -0.775
   13    HA   VAL   2           HA       VAL   2   2.865   1.803  -0.972
   14    HB   VAL   2           HB       VAL   2   1.484   2.426  -2.928
   15   HG11  VAL   2          HG11      VAL   2  -0.777   3.027  -0.981
   16   HG12  VAL   2          HG12      VAL   2  -0.744   3.384  -2.721
   17   HG13  VAL   2          HG13      VAL   2  -0.755   1.708  -2.167
   18   HG21  VAL   2          HG21      VAL   2   1.364   4.759  -2.575
   19   HG22  VAL   2          HG22      VAL   2   1.228   4.584  -0.823
   20   HG23  VAL   2          HG23      VAL   2   2.748   4.159  -1.666
   21    H    ASP   3           H        ASP   3   2.599   3.482   0.719
   22    HA   ASP   3           HA       ASP   3   0.558   3.006   2.807
   23    HB2  ASP   3           HB2      ASP   3   2.320   1.448   3.442
   24    HB3  ASP   3           HB3      ASP   3   3.545   2.703   3.279
   25    H    LEU   4           H        LEU   4   3.429   4.831   1.731
   26    HA   LEU   4           HA       LEU   4   3.312   7.012   3.454
   27    HB2  LEU   4           HB2      LEU   4   4.177   6.750   0.534
   28    HB3  LEU   4           HB3      LEU   4   4.330   8.261   1.402
   29    HG   LEU   4           HG       LEU   4   6.422   7.115   1.288
   30   HD11  LEU   4          HD11      LEU   4   5.926   8.562   3.251
   31   HD12  LEU   4          HD12      LEU   4   5.435   7.132   4.176
   32   HD13  LEU   4          HD13      LEU   4   7.110   7.295   3.620
   33   HD21  LEU   4          HD21      LEU   4   5.300   4.886   3.030
   34   HD22  LEU   4          HD22      LEU   4   5.649   4.753   1.283
   35   HD23  LEU   4          HD23      LEU   4   6.956   5.060   2.437
   36    H    GLU   5           H        GLU   5   1.475   6.541   0.424
   37    HA   GLU   5           HA       GLU   5   0.480   9.213   0.344
   38    HB2  GLU   5           HB2      GLU   5  -0.564   6.683  -1.011
   39    HB3  GLU   5           HB3      GLU   5  -1.104   8.335  -1.360
   40    HG2  GLU   5           HG2      GLU   5   1.361   8.905  -1.797
   41    HG3  GLU   5           HG3      GLU   5   1.646   7.164  -1.825
   42    H    GLN   6           H        GLN   6  -0.318   6.924   2.693
   43    HA   GLN   6           HA       GLN   6  -3.077   7.714   3.067
   44    HB2  GLN   6           HB2      GLN   6  -2.178   5.498   3.667
   45    HB3  GLN   6           HB3      GLN   6  -1.020   6.252   4.789
   46    HG2  GLN   6           HG2      GLN   6  -2.675   6.975   6.219
   47    HG3  GLN   6           HG3      GLN   6  -3.972   6.666   5.056
   48   HE21  GLN   6          HE21      GLN   6  -4.635   4.402   4.640
   49   HE22  GLN   6          HE22      GLN   6  -4.226   3.149   5.796
   50    H    GLU   7           H        GLU   7   0.126   8.987   3.801
   51    HA   GLU   7           HA       GLU   7  -0.817  10.871   5.874
   52    HB2  GLU   7           HB2      GLU   7   1.808  10.759   4.283
   53    HB3  GLU   7           HB3      GLU   7   1.447  11.808   5.644
   54    HG2  GLU   7           HG2      GLU   7   1.119   9.766   7.090
   55    HG3  GLU   7           HG3      GLU   7   1.753   8.783   5.761
   56    H    PHE   8           H        PHE   8  -1.000  13.125   5.374
   57    HA   PHE   8           HA       PHE   8  -1.803  14.004   2.812
   58    HB2  PHE   8           HB2      PHE   8  -1.412  16.198   3.550
   59    HB3  PHE   8           HB3      PHE   8  -2.052  15.344   4.944
   60    HD1  PHE   8           HD1      PHE   8  -0.370  14.624   6.810
   61    HD2  PHE   8           HD2      PHE   8   0.817  17.079   3.477
   62    HE1  PHE   8           HE1      PHE   8   1.575  15.444   8.114
   63    HE2  PHE   8           HE2      PHE   8   2.774  17.905   4.784
   64    HZ   PHE   8           HZ       PHE   8   3.137  17.103   7.114
   65    H    ALA   9           H        ALA   9  -0.698  14.677   1.063
   66    HA   ALA   9           HA       ALA   9   2.302  14.621   1.227
   67    HB1  ALA   9           HB1      ALA   9   1.415  12.525   0.518
   68    HB2  ALA   9           HB2      ALA   9   0.317  13.333  -0.637
   69    HB3  ALA   9           HB3      ALA   9   2.091  13.349  -0.925
   70    H    LEU  10           H        LEU  10   3.392  15.716  -0.427
   71    HA   LEU  10           HA       LEU  10   2.244  18.339  -0.965
   72    HB2  LEU  10           HB2      LEU  10   4.932  17.044  -1.293
   73    HB3  LEU  10           HB3      LEU  10   4.528  18.466  -2.246
   74    HG   LEU  10           HG       LEU  10   5.752  18.789   0.023
   75   HD11  LEU  10          HD11      LEU  10   3.341  20.449  -0.815
   76   HD12  LEU  10          HD12      LEU  10   4.645  20.995   0.272
   77   HD13  LEU  10          HD13      LEU  10   5.009  20.574  -1.401
   78   HD21  LEU  10          HD21      LEU  10   4.176  17.474   1.427
   79   HD22  LEU  10          HD22      LEU  10   4.333  19.158   1.965
   80   HD23  LEU  10          HD23      LEU  10   2.887  18.648   1.079
   81    H    GLY  11           H        GLY  11   0.573  17.708  -2.065
   82    HA2  GLY  11           HA2      GLY  11  -0.514  17.996  -4.125
   83    HA3  GLY  11           HA3      GLY  11   0.896  17.342  -5.008
   84    H    GLY  12           H        GLY  12  -0.413  15.848  -1.995
   85    HA2  GLY  12           HA2      GLY  12  -1.142  13.419  -3.477
   86    HA3  GLY  12           HA3      GLY  12  -1.399  13.761  -1.749
   87    H    ARG  13           H        ARG  13  -3.420  12.773  -3.078
   88    HA   ARG  13           HA       ARG  13  -5.250  15.073  -3.548
   89    HB2  ARG  13           HB2      ARG  13  -5.647  12.189  -4.423
   90    HB3  ARG  13           HB3      ARG  13  -6.971  13.321  -4.145
   91    HG2  ARG  13           HG2      ARG  13  -6.676  13.506  -6.406
   92    HG3  ARG  13           HG3      ARG  13  -5.738  14.890  -5.804
   93    HD2  ARG  13           HD2      ARG  13  -3.700  13.417  -5.862
   94    HD3  ARG  13           HD3      ARG  13  -4.718  12.122  -6.499
   95    HE   ARG  13           HE       ARG  13  -4.971  13.287  -8.556
   96   HH11  ARG  13          HH11      ARG  13  -2.593  14.954  -6.449
   97   HH12  ARG  13          HH12      ARG  13  -2.025  15.972  -7.706
   98   HH21  ARG  13          HH21      ARG  13  -4.167  14.654 -10.206
   99   HH22  ARG  13          HH22      ARG  13  -2.914  15.792  -9.871
  100    H    CYS  14           H        CYS  14  -7.248  14.409  -2.401
  101    HA   CYS  14           HA       CYS  14  -6.852  12.976   0.148
  102    HB2  CYS  14           HB2      CYS  14  -6.959  15.961  -0.236
  103    HB3  CYS  14           HB3      CYS  14  -7.933  15.275   1.070
  104    HG   CYS  14           HG       CYS  14  -4.775  14.640   0.533
  105    H    LEU  15           H        LEU  15  -8.890  13.389   1.441
  106    HA   LEU  15           HA       LEU  15 -11.356  13.817  -0.130
  107    HB2  LEU  15           HB2      LEU  15 -10.962  11.613   1.960
  108    HB3  LEU  15           HB3      LEU  15 -12.463  12.110   1.225
  109    HG   LEU  15           HG       LEU  15 -11.858  10.089   0.317
  110   HD11  LEU  15          HD11      LEU  15 -11.088  11.980  -1.926
  111   HD12  LEU  15          HD12      LEU  15 -12.030  10.480  -2.013
  112   HD13  LEU  15          HD13      LEU  15 -12.719  11.942  -1.259
  113   HD21  LEU  15          HD21      LEU  15  -9.357  10.429   0.833
  114   HD22  LEU  15          HD22      LEU  15  -9.866   9.363  -0.478
  115   HD23  LEU  15          HD23      LEU  15  -9.247  10.979  -0.861
  116    H    ALA  16           H        ALA  16 -12.750  15.061   1.189
  117    HA   ALA  16           HA       ALA  16 -12.071  15.182   4.028
  118    HB1  ALA  16           HB1      ALA  16 -12.606  17.782   3.843
  119    HB2  ALA  16           HB2      ALA  16 -10.975  17.198   3.569
  120    HB3  ALA  16           HB3      ALA  16 -12.009  17.582   2.179
  121    H    PHE  17           H        PHE  17 -13.670  15.697   5.346
  122    HA   PHE  17           HA       PHE  17 -16.195  14.563   4.407
  123    HB2  PHE  17           HB2      PHE  17 -14.575  14.582   6.859
  124    HB3  PHE  17           HB3      PHE  17 -16.246  14.974   7.211
  125    HD1  PHE  17           HD1      PHE  17 -17.978  13.368   5.690
  126    HD2  PHE  17           HD2      PHE  17 -14.048  12.328   7.150
  127    HE1  PHE  17           HE1      PHE  17 -18.623  11.042   5.718
  128    HE2  PHE  17           HE2      PHE  17 -14.724   9.941   7.168
  129    HZ   PHE  17           HZ       PHE  17 -17.023   9.277   6.499
  130    H    HIS  18           H        HIS  18 -18.178  15.490   4.609
  131    HA   HIS  18           HA       HIS  18 -18.248  18.441   5.186
  132    HB2  HIS  18           HB2      HIS  18 -19.646  16.772   3.085
  133    HB3  HIS  18           HB3      HIS  18 -20.285  18.317   3.626
  134    HD2  HIS  18           HD2      HIS  18 -16.894  16.982   2.184
  135    HE1  HIS  18           HE1      HIS  18 -17.314  21.050   1.003
  136    HE2  HIS  18           HE2      HIS  18 -15.839  18.985   0.858
  137    H    GLY  19           H        GLY  19 -20.055  15.352   5.508
  138    HA2  GLY  19           HA2      GLY  19 -20.911  15.465   8.037
  139    HA3  GLY  19           HA3      GLY  19 -22.042  16.610   7.296
  140    HA   PRO  20           HA       PRO  20 -24.380  13.122   5.690
  141    HB2  PRO  20           HB2      PRO  20 -25.024  13.867   3.108
  142    HB3  PRO  20           HB3      PRO  20 -25.847  14.504   4.576
  143    HG2  PRO  20           HG2      PRO  20 -23.641  15.779   2.944
  144    HG3  PRO  20           HG3      PRO  20 -25.111  16.548   3.616
  145    HD2  PRO  20           HD2      PRO  20 -22.674  16.741   4.828
  146    HD3  PRO  20           HD3      PRO  20 -24.176  16.631   5.783
  147    H    LEU  21           H        LEU  21 -21.781  14.482   3.628
  148    HA   LEU  21           HA       LEU  21 -20.846  11.802   3.050
  149    HB2  LEU  21           HB2      LEU  21 -22.484  13.077   1.136
  150    HB3  LEU  21           HB3      LEU  21 -20.869  13.446   0.582
  151    HG   LEU  21           HG       LEU  21 -20.702  10.759   1.323
  152   HD11  LEU  21          HD11      LEU  21 -22.631   9.652   0.176
  153   HD12  LEU  21          HD12      LEU  21 -23.115  10.595   1.588
  154   HD13  LEU  21          HD13      LEU  21 -23.346  11.266  -0.062
  155   HD21  LEU  21          HD21      LEU  21 -19.619  11.639  -0.650
  156   HD22  LEU  21          HD22      LEU  21 -20.460  10.121  -0.933
  157   HD23  LEU  21          HD23      LEU  21 -21.189  11.648  -1.503
  158    H    MET  22           H        MET  22 -18.971  12.425   1.127
  159    HA   MET  22           HA       MET  22 -17.021  14.255   2.361
  160    HB2  MET  22           HB2      MET  22 -16.856  12.053   3.540
  161    HB3  MET  22           HB3      MET  22 -16.973  11.234   2.000
  162    HG2  MET  22           HG2      MET  22 -14.655  12.805   1.740
  163    HG3  MET  22           HG3      MET  22 -14.658  12.140   3.390
  164    HE1  MET  22           HE1      MET  22 -14.626  11.698  -0.269
  165    HE2  MET  22           HE2      MET  22 -14.091  10.022  -0.523
  166    HE3  MET  22           HE3      MET  22 -15.845  10.407  -0.257
  167    H    TYR  23           H        TYR  23 -15.603  14.966   0.676
  168    HA   TYR  23           HA       TYR  23 -16.061  13.813  -2.037
  169    HB2  TYR  23           HB2      TYR  23 -16.142  16.770  -1.389
  170    HB3  TYR  23           HB3      TYR  23 -16.404  16.020  -2.960
  171    HD1  TYR  23           HD1      TYR  23 -18.363  13.921  -2.607
  172    HD2  TYR  23           HD2      TYR  23 -18.114  17.726  -0.589
  173    HE1  TYR  23           HE1      TYR  23 -20.796  13.799  -2.072
  174    HE2  TYR  23           HE2      TYR  23 -20.531  17.627  -0.086
  175    HH   TYR  23           HH       TYR  23 -22.599  14.864  -1.115
  176    H    GLU  24           H        GLU  24 -14.464  14.826  -3.612
  177    HA   GLU  24           HA       GLU  24 -11.873  13.991  -2.570
  178    HB2  GLU  24           HB2      GLU  24 -12.829  14.970  -5.298
  179    HB3  GLU  24           HB3      GLU  24 -11.151  14.563  -4.948
  180    HG2  GLU  24           HG2      GLU  24 -11.731  12.578  -5.803
  181    HG3  GLU  24           HG3      GLU  24 -12.236  12.241  -4.155
  182    H    ALA  25           H        ALA  25 -10.098  15.092  -2.343
  183    HA   ALA  25           HA       ALA  25 -10.185  18.038  -2.453
  184    HB1  ALA  25           HB1      ALA  25 -10.468  17.498  -0.129
  185    HB2  ALA  25           HB2      ALA  25  -9.345  16.184  -0.198
  186    HB3  ALA  25           HB3      ALA  25  -8.730  17.832  -0.286
  187    H    LYS  26           H        LYS  26  -8.000  18.910  -2.916
  188    HA   LYS  26           HA       LYS  26  -5.996  16.971  -3.959
  189    HB2  LYS  26           HB2      LYS  26  -7.624  17.644  -5.768
  190    HB3  LYS  26           HB3      LYS  26  -7.143  19.312  -5.509
  191    HG2  LYS  26           HG2      LYS  26  -4.682  18.323  -5.941
  192    HG3  LYS  26           HG3      LYS  26  -5.597  16.994  -6.672
  193    HD2  LYS  26           HD2      LYS  26  -5.069  18.484  -8.449
  194    HD3  LYS  26           HD3      LYS  26  -6.790  18.741  -8.097
  195    HE2  LYS  26           HE2      LYS  26  -6.077  20.722  -6.631
  196    HE3  LYS  26           HE3      LYS  26  -4.427  20.465  -7.198
  197    HZ1  LYS  26           HZ1      LYS  26  -5.480  22.131  -8.560
  198    HZ2  LYS  26           HZ2      LYS  26  -5.238  20.820  -9.478
  199    HZ3  LYS  26           HZ3      LYS  26  -6.748  21.168  -8.915
  200    H    ILE  27           H        ILE  27  -4.434  17.523  -2.464
  201    HA   ILE  27           HA       ILE  27  -4.394  20.079  -1.157
  202    HB   ILE  27           HB       ILE  27  -2.301  17.864  -1.249
  203   HG12  ILE  27          HG12      ILE  27  -4.288  18.376   0.985
  204   HG13  ILE  27          HG13      ILE  27  -4.641  17.229  -0.292
  205   HG21  ILE  27          HG21      ILE  27  -1.515  18.894   0.907
  206   HG22  ILE  27          HG22      ILE  27  -1.348  19.998  -0.443
  207   HG23  ILE  27          HG23      ILE  27  -2.687  20.204   0.701
  208   HD11  ILE  27          HD11      ILE  27  -2.054  16.830   1.213
  209   HD12  ILE  27          HD12      ILE  27  -3.620  16.486   1.994
  210   HD13  ILE  27          HD13      ILE  27  -3.107  15.662   0.431
  211    H    LEU  28           H        LEU  28  -3.313  21.916  -1.712
  212    HA   LEU  28           HA       LEU  28  -0.985  21.726  -3.572
  213    HB2  LEU  28           HB2      LEU  28  -2.936  22.467  -4.742
  214    HB3  LEU  28           HB3      LEU  28  -3.434  23.558  -3.464
  215    HG   LEU  28           HG       LEU  28  -0.884  24.044  -5.057
  216   HD11  LEU  28          HD11      LEU  28  -3.784  24.793  -5.546
  217   HD12  LEU  28          HD12      LEU  28  -2.408  25.473  -6.468
  218   HD13  LEU  28          HD13      LEU  28  -2.771  23.746  -6.567
  219   HD21  LEU  28          HD21      LEU  28  -2.766  25.942  -3.503
  220   HD22  LEU  28          HD22      LEU  28  -1.100  25.556  -3.088
  221   HD23  LEU  28          HD23      LEU  28  -1.434  26.464  -4.543
  222    H    LYS  29           H        LYS  29  -2.674  23.990  -1.339
  223    HA   LYS  29           HA       LYS  29   0.022  24.898  -0.477
  224    HB2  LYS  29           HB2      LYS  29  -2.293  26.333  -1.140
  225    HB3  LYS  29           HB3      LYS  29  -2.340  26.320   0.623
  226    HG2  LYS  29           HG2      LYS  29  -0.527  27.672   0.831
  227    HG3  LYS  29           HG3      LYS  29   0.275  27.016  -0.585
  228    HD2  LYS  29           HD2      LYS  29  -0.291  29.300  -1.042
  229    HD3  LYS  29           HD3      LYS  29  -1.240  28.239  -2.092
  230    HE2  LYS  29           HE2      LYS  29  -3.189  28.446  -0.532
  231    HE3  LYS  29           HE3      LYS  29  -2.164  29.496   0.506
  232    HZ1  LYS  29           HZ1      LYS  29  -3.125  30.137  -2.213
  233    HZ2  LYS  29           HZ2      LYS  29  -3.503  30.926  -0.818
  234    HZ3  LYS  29           HZ3      LYS  29  -2.002  31.027  -1.407
  235    H    ILE  30           H        ILE  30   0.662  24.453   1.658
  236    HA   ILE  30           HA       ILE  30  -1.441  23.369   3.393
  237    HB   ILE  30           HB       ILE  30  -0.183  21.651   4.352
  238   HG12  ILE  30          HG12      ILE  30   2.136  22.518   4.074
  239   HG13  ILE  30          HG13      ILE  30   1.909  20.801   3.761
  240   HG21  ILE  30          HG21      ILE  30  -0.223  21.328   1.334
  241   HG22  ILE  30          HG22      ILE  30  -0.237  20.033   2.558
  242   HG23  ILE  30          HG23      ILE  30  -1.580  21.203   2.437
  243   HD11  ILE  30          HD11      ILE  30   1.956  21.151   1.353
  244   HD12  ILE  30          HD12      ILE  30   2.056  22.911   1.584
  245   HD13  ILE  30          HD13      ILE  30   3.399  21.863   2.113
  246    H    TRP  31           H        TRP  31  -0.895  23.355   5.449
  247    HA   TRP  31           HA       TRP  31   0.654  25.796   6.310
  248    HB2  TRP  31           HB2      TRP  31  -1.371  26.818   5.971
  249    HB3  TRP  31           HB3      TRP  31  -2.290  25.391   6.326
  250    HD1  TRP  31           HD1      TRP  31  -2.377  24.743   9.106
  251    HE1  TRP  31           HE1      TRP  31  -2.879  26.345  11.040
  252    HE3  TRP  31           HE3      TRP  31  -1.157  29.197   6.870
  253    HZ2  TRP  31           HZ2      TRP  31  -2.596  29.091  11.627
  254    HZ3  TRP  31           HZ3      TRP  31  -1.359  31.308   8.168
  255    HH2  TRP  31           HH2      TRP  31  -2.125  31.266  10.531
  256    H    ASP  32           H        ASP  32   1.038  26.030   8.512
  257    HA   ASP  32           HA       ASP  32   1.042  23.615  10.150
  258    HB2  ASP  32           HB2      ASP  32   2.978  23.361   8.633
  259    HB3  ASP  32           HB3      ASP  32   3.539  24.976   9.048
  260    HA   PRO  33           HA       PRO  33   0.548  27.405  12.686
  261    HB2  PRO  33           HB2      PRO  33   0.129  26.114  15.118
  262    HB3  PRO  33           HB3      PRO  33  -1.122  26.447  13.892
  263    HG2  PRO  33           HG2      PRO  33   0.518  23.916  14.253
  264    HG3  PRO  33           HG3      PRO  33  -1.260  24.050  14.024
  265    HD2  PRO  33           HD2      PRO  33   0.364  23.405  12.040
  266    HD3  PRO  33           HD3      PRO  33  -0.985  24.549  11.732
  267    H    SER  34           H        SER  34   3.035  24.992  12.806
  268    HA   SER  34           HA       SER  34   4.573  26.041  14.998
  269    HB2  SER  34           HB2      SER  34   5.694  24.691  12.521
  270    HB3  SER  34           HB3      SER  34   6.372  24.728  14.151
  271    HG   SER  34           HG       SER  34   4.177  23.282  13.115
  272    H    SER  35           H        SER  35   4.036  27.116  11.694
  273    HA   SER  35           HA       SER  35   5.829  29.464  12.183
  274    HB2  SER  35           HB2      SER  35   5.071  28.228   9.508
  275    HB3  SER  35           HB3      SER  35   6.171  29.591   9.788
  276    HG   SER  35           HG       SER  35   7.290  27.603   9.485
  277    H    LYS  36           H        LYS  36   2.635  28.336  11.671
  278    HA   LYS  36           HA       LYS  36   0.663  29.212  11.325
  279    HB2  LYS  36           HB2      LYS  36   1.718  30.460  13.491
  280    HB3  LYS  36           HB3      LYS  36   1.322  31.882  12.548
  281    HG2  LYS  36           HG2      LYS  36  -1.000  31.428  12.575
  282    HG3  LYS  36           HG3      LYS  36  -0.778  29.697  12.799
  283    HD2  LYS  36           HD2      LYS  36  -0.133  31.729  14.961
  284    HD3  LYS  36           HD3      LYS  36  -1.679  30.865  14.812
  285    HE2  LYS  36           HE2      LYS  36  -0.517  28.694  14.936
  286    HE3  LYS  36           HE3      LYS  36   1.044  29.494  15.034
  287    HZ1  LYS  36           HZ1      LYS  36   0.279  28.840  17.216
  288    HZ2  LYS  36           HZ2      LYS  36   0.346  30.466  17.155
  289    HZ3  LYS  36           HZ3      LYS  36  -1.101  29.704  17.075
  290    H    MET  37           H        MET  37   2.122  29.259   9.184
  291    HA   MET  37           HA       MET  37   0.890  31.166   7.439
  292    HB2  MET  37           HB2      MET  37   3.917  30.896   7.643
  293    HB3  MET  37           HB3      MET  37   3.072  31.681   6.307
  294    HG2  MET  37           HG2      MET  37   2.055  33.285   7.996
  295    HG3  MET  37           HG3      MET  37   3.126  32.580   9.204
  296    HE1  MET  37           HE1      MET  37   6.611  33.439   7.266
  297    HE2  MET  37           HE2      MET  37   5.821  32.228   8.359
  298    HE3  MET  37           HE3      MET  37   5.479  32.246   6.630
  299    H    TYR  38           H        TYR  38   1.915  30.303   5.125
  300    HA   TYR  38           HA       TYR  38   1.393  27.378   5.217
  301    HB2  TYR  38           HB2      TYR  38   0.181  27.707   3.146
  302    HB3  TYR  38           HB3      TYR  38  -0.432  28.724   4.455
  303    HD1  TYR  38           HD1      TYR  38   1.655  28.860   1.320
  304    HD2  TYR  38           HD2      TYR  38  -0.375  30.965   4.453
  305    HE1  TYR  38           HE1      TYR  38   2.015  30.960   0.085
  306    HE2  TYR  38           HE2      TYR  38   0.051  33.128   3.253
  307    HH   TYR  38           HH       TYR  38   1.044  34.159   1.526
  308    H    THR  39           H        THR  39   1.867  26.835   2.543
  309    HA   THR  39           HA       THR  39   4.497  27.356   1.638
  310    HB   THR  39           HB       THR  39   5.123  24.844   1.934
  311    HG1  THR  39           HG1      THR  39   2.945  25.057   3.593
  312   HG21  THR  39          HG21      THR  39   5.315  26.344   4.547
  313   HG22  THR  39          HG22      THR  39   6.472  25.220   3.799
  314   HG23  THR  39          HG23      THR  39   6.238  26.844   3.114
  315    H    SER  40           H        SER  40   4.701  26.043  -0.406
  316    HA   SER  40           HA       SER  40   2.367  24.457  -1.297
  317    HB2  SER  40           HB2      SER  40   2.028  27.115  -1.596
  318    HB3  SER  40           HB3      SER  40   3.013  26.766  -3.022
  319    HG   SER  40           HG       SER  40   0.851  26.537  -3.499
  320    H    ILE  41           H        ILE  41   2.787  23.747  -3.583
  321    HA   ILE  41           HA       ILE  41   5.441  24.282  -4.663
  322    HB   ILE  41           HB       ILE  41   5.756  21.822  -5.206
  323   HG12  ILE  41          HG12      ILE  41   4.849  20.152  -3.697
  324   HG13  ILE  41          HG13      ILE  41   3.714  21.334  -3.010
  325   HG21  ILE  41          HG21      ILE  41   6.873  21.315  -3.163
  326   HG22  ILE  41          HG22      ILE  41   7.056  23.037  -3.510
  327   HG23  ILE  41          HG23      ILE  41   5.912  22.501  -2.265
  328   HD11  ILE  41          HD11      ILE  41   2.959  19.632  -4.840
  329   HD12  ILE  41          HD12      ILE  41   2.371  21.302  -4.870
  330   HD13  ILE  41          HD13      ILE  41   3.712  20.823  -5.945
  331    HA   PRO  42           HA       PRO  42   2.947  24.679  -8.241
  332    HB2  PRO  42           HB2      PRO  42   4.793  24.811 -10.276
  333    HB3  PRO  42           HB3      PRO  42   4.703  26.014  -8.969
  334    HG2  PRO  42           HG2      PRO  42   6.424  23.492  -8.973
  335    HG3  PRO  42           HG3      PRO  42   6.981  25.192  -8.850
  336    HD2  PRO  42           HD2      PRO  42   6.521  23.915  -6.550
  337    HD3  PRO  42           HD3      PRO  42   5.699  25.507  -6.794
  338    H    ASN  43           H        ASN  43   2.901  21.877  -7.368
  339    HA   ASN  43           HA       ASN  43   3.403  20.090  -9.576
  340    HB2  ASN  43           HB2      ASN  43   3.126  19.139  -7.360
  341    HB3  ASN  43           HB3      ASN  43   1.511  19.863  -7.194
  342   HD21  ASN  43          HD21      ASN  43   3.403  17.484  -9.173
  343   HD22  ASN  43          HD22      ASN  43   2.021  16.488  -9.555
  344    H    ASP  44           H        ASP  44   0.563  22.063  -8.622
  345    HA   ASP  44           HA       ASP  44  -0.449  22.032 -11.329
  346    HB2  ASP  44           HB2      ASP  44  -1.358  19.860 -10.375
  347    HB3  ASP  44           HB3      ASP  44  -2.166  20.810  -9.124
  348    H    LYS  45           H        LYS  45  -2.428  23.457 -11.414
  349    HA   LYS  45           HA       LYS  45  -2.218  25.792  -9.654
  350    HB2  LYS  45           HB2      LYS  45  -3.940  26.732 -11.121
  351    HB3  LYS  45           HB3      LYS  45  -2.647  26.039 -12.093
  352    HG2  LYS  45           HG2      LYS  45  -4.118  23.970 -12.377
  353    HG3  LYS  45           HG3      LYS  45  -5.423  24.884 -11.602
  354    HD2  LYS  45           HD2      LYS  45  -5.215  26.629 -13.387
  355    HD3  LYS  45           HD3      LYS  45  -3.924  25.678 -14.146
  356    HE2  LYS  45           HE2      LYS  45  -5.493  23.760 -14.393
  357    HE3  LYS  45           HE3      LYS  45  -6.793  24.729 -13.692
  358    HZ1  LYS  45           HZ1      LYS  45  -6.888  24.747 -16.094
  359    HZ2  LYS  45           HZ2      LYS  45  -6.563  26.261 -15.581
  360    HZ3  LYS  45           HZ3      LYS  45  -5.374  25.337 -16.219
  361    HA   PRO  46           HA       PRO  46  -5.561  24.560  -6.928
  362    HB2  PRO  46           HB2      PRO  46  -6.877  27.223  -7.288
  363    HB3  PRO  46           HB3      PRO  46  -6.315  26.417  -5.801
  364    HG2  PRO  46           HG2      PRO  46  -4.963  28.538  -6.918
  365    HG3  PRO  46           HG3      PRO  46  -4.128  27.207  -6.076
  366    HD2  PRO  46           HD2      PRO  46  -4.484  27.621  -9.054
  367    HD3  PRO  46           HD3      PRO  46  -3.034  27.082  -8.156
  368    H    GLY  47           H        GLY  47  -7.012  26.826  -9.267
  369    HA2  GLY  47           HA2      GLY  47  -8.162  24.750 -10.954
  370    HA3  GLY  47           HA3      GLY  47  -9.313  25.610  -9.912
  371    H    GLY  48           H        GLY  48  -6.455  27.347 -11.064
  372    HA2  GLY  48           HA2      GLY  48  -7.295  28.312 -13.528
  373    HA3  GLY  48           HA3      GLY  48  -8.078  29.369 -12.338
  374    H    SER  49           H        SER  49  -5.916  29.368 -10.369
  375    HA   SER  49           HA       SER  49  -4.411  31.521 -11.258
  376    HB2  SER  49           HB2      SER  49  -3.544  29.698  -9.005
  377    HB3  SER  49           HB3      SER  49  -3.437  31.457  -9.112
  378    HG   SER  49           HG       SER  49  -5.155  30.951  -7.776
  379    H    SER  50           H        SER  50  -1.905  31.614 -11.015
  380    HA   SER  50           HA       SER  50  -0.758  30.078 -13.124
  381    HB2  SER  50           HB2      SER  50   0.607  31.961 -11.209
  382    HB3  SER  50           HB3      SER  50   1.128  31.474 -12.832
  383    HG   SER  50           HG       SER  50   0.084  33.551 -12.816
  384    H    GLN  51           H        GLN  51  -1.224  28.122 -12.001
  385    HA   GLN  51           HA       GLN  51  -0.629  26.148 -11.009
  386    HB2  GLN  51           HB2      GLN  51   0.524  26.565 -13.286
  387    HB3  GLN  51           HB3      GLN  51   2.021  26.651 -12.347
  388    HG2  GLN  51           HG2      GLN  51   1.374  24.359 -11.374
  389    HG3  GLN  51           HG3      GLN  51   0.034  24.339 -12.520
  390   HE21  GLN  51          HE21      GLN  51   3.129  23.159 -12.086
  391   HE22  GLN  51          HE22      GLN  51   3.594  22.983 -13.766
  392    H    ALA  52           H        ALA  52  -0.363  27.940  -8.894
  393    HA   ALA  52           HA       ALA  52   0.589  28.227  -6.861
  394    HB1  ALA  52           HB1      ALA  52   1.392  26.086  -5.816
  395    HB2  ALA  52           HB2      ALA  52  -0.202  26.002  -6.618
  396    HB3  ALA  52           HB3      ALA  52   1.202  25.334  -7.430
  397    H    THR  53           H        THR  53   2.286  28.730  -9.135
  398    HA   THR  53           HA       THR  53   4.211  29.624  -9.665
  399    HB   THR  53           HB       THR  53   4.468  30.334  -6.753
  400    HG1  THR  53           HG1      THR  53   3.005  31.962  -7.197
  401   HG21  THR  53          HG21      THR  53   6.324  31.009  -8.281
  402   HG22  THR  53          HG22      THR  53   5.150  31.776  -9.358
  403   HG23  THR  53          HG23      THR  53   5.415  32.418  -7.709
  404    H    LYS  54           H        LYS  54   5.325  28.208  -6.556
  405    HA   LYS  54           HA       LYS  54   7.639  26.890  -7.728
  406    HB2  LYS  54           HB2      LYS  54   9.320  28.361  -6.641
  407    HB3  LYS  54           HB3      LYS  54   8.436  29.226  -7.912
  408    HG2  LYS  54           HG2      LYS  54   7.002  30.234  -6.105
  409    HG3  LYS  54           HG3      LYS  54   7.954  29.341  -4.920
  410    HD2  LYS  54           HD2      LYS  54  10.034  30.474  -6.126
  411    HD3  LYS  54           HD3      LYS  54   8.848  31.638  -6.725
  412    HE2  LYS  54           HE2      LYS  54   9.177  30.821  -3.822
  413    HE3  LYS  54           HE3      LYS  54  10.120  32.139  -4.546
  414    HZ1  LYS  54           HZ1      LYS  54   7.155  32.128  -4.339
  415    HZ2  LYS  54           HZ2      LYS  54   8.177  33.030  -3.433
  416    HZ3  LYS  54           HZ3      LYS  54   8.062  33.309  -5.028
  417    H    GLU  55           H        GLU  55   9.252  26.556  -5.555
  418    HA   GLU  55           HA       GLU  55   7.612  25.314  -3.513
  419    HB2  GLU  55           HB2      GLU  55  10.562  26.092  -3.470
  420    HB3  GLU  55           HB3      GLU  55   9.707  25.125  -2.251
  421    HG2  GLU  55           HG2      GLU  55   9.256  23.369  -3.953
  422    HG3  GLU  55           HG3      GLU  55  10.056  24.342  -5.183
  423    H    ILE  56           H        ILE  56   6.221  26.766  -2.576
  424    HA   ILE  56           HA       ILE  56   6.933  29.547  -2.390
  425    HB   ILE  56           HB       ILE  56   4.452  28.248  -1.238
  426   HG12  ILE  56          HG12      ILE  56   5.018  29.568  -3.938
  427   HG13  ILE  56          HG13      ILE  56   4.557  27.903  -3.632
  428   HG21  ILE  56          HG21      ILE  56   3.605  30.655  -1.382
  429   HG22  ILE  56          HG22      ILE  56   4.833  30.383  -0.179
  430   HG23  ILE  56          HG23      ILE  56   5.261  31.162  -1.718
  431   HD11  ILE  56          HD11      ILE  56   2.590  28.772  -4.347
  432   HD12  ILE  56          HD12      ILE  56   2.364  28.970  -2.559
  433   HD13  ILE  56          HD13      ILE  56   2.847  30.351  -3.567
  434    H    LYS  57           H        LYS  57   7.893  30.546  -0.708
  435    HA   LYS  57           HA       LYS  57   8.840  29.052   1.627
  436    HB2  LYS  57           HB2      LYS  57   8.977  31.997   0.798
  437    HB3  LYS  57           HB3      LYS  57   9.733  31.327   2.256
  438    HG2  LYS  57           HG2      LYS  57  11.091  29.783   0.839
  439    HG3  LYS  57           HG3      LYS  57  10.389  30.521  -0.617
  440    HD2  LYS  57           HD2      LYS  57  11.337  32.725   0.068
  441    HD3  LYS  57           HD3      LYS  57  12.097  31.942   1.474
  442    HE2  LYS  57           HE2      LYS  57  13.312  30.398  -0.077
  443    HE3  LYS  57           HE3      LYS  57  12.563  31.211  -1.456
  444    HZ1  LYS  57           HZ1      LYS  57  14.406  32.489   0.484
  445    HZ2  LYS  57           HZ2      LYS  57  14.792  32.045  -1.037
  446    HZ3  LYS  57           HZ3      LYS  57  13.717  33.243  -0.796
  447    HA   PRO  58           HA       PRO  58   5.259  30.271   3.981
  448    HB2  PRO  58           HB2      PRO  58   7.209  30.870   6.204
  449    HB3  PRO  58           HB3      PRO  58   5.686  29.912   6.283
  450    HG2  PRO  58           HG2      PRO  58   8.108  28.697   6.278
  451    HG3  PRO  58           HG3      PRO  58   6.767  28.040   5.289
  452    HD2  PRO  58           HD2      PRO  58   9.014  29.879   4.420
  453    HD3  PRO  58           HD3      PRO  58   8.395  28.375   3.626
  454    H    GLN  59           H        GLN  59   4.239  32.121   3.873
  455    HA   GLN  59           HA       GLN  59   5.547  34.697   4.456
  456    HB2  GLN  59           HB2      GLN  59   4.135  33.973   1.848
  457    HB3  GLN  59           HB3      GLN  59   4.367  35.633   2.381
  458    HG2  GLN  59           HG2      GLN  59   6.641  33.677   1.809
  459    HG3  GLN  59           HG3      GLN  59   6.015  34.868   0.683
  460   HE21  GLN  59          HE21      GLN  59   7.875  34.439   3.685
  461   HE22  GLN  59          HE22      GLN  59   8.547  36.061   3.709
  462    H    LYS  60           H        LYS  60   4.019  36.242   5.056
  463    HA   LYS  60           HA       LYS  60   1.697  35.543   6.416
  464    HB2  LYS  60           HB2      LYS  60   2.470  38.130   5.026
  465    HB3  LYS  60           HB3      LYS  60   0.947  37.972   5.914
  466    HG2  LYS  60           HG2      LYS  60   2.140  37.322   7.974
  467    HG3  LYS  60           HG3      LYS  60   3.678  37.348   7.123
  468    HD2  LYS  60           HD2      LYS  60   3.483  39.385   8.423
  469    HD3  LYS  60           HD3      LYS  60   3.478  39.763   6.706
  470    HE2  LYS  60           HE2      LYS  60   1.852  41.165   7.758
  471    HE3  LYS  60           HE3      LYS  60   0.978  39.989   6.781
  472    HZ1  LYS  60           HZ1      LYS  60  -0.011  40.290   8.972
  473    HZ2  LYS  60           HZ2      LYS  60   0.511  38.753   8.828
  474    HZ3  LYS  60           HZ3      LYS  60   1.364  39.833   9.716
  475    H    LEU  61           H        LEU  61  -0.330  35.723   6.178
  476    HA   LEU  61           HA       LEU  61  -1.430  34.518   3.706
  477    HB2  LEU  61           HB2      LEU  61  -0.828  32.890   5.333
  478    HB3  LEU  61           HB3      LEU  61  -1.251  33.890   6.677
  479    HG   LEU  61           HG       LEU  61  -2.534  31.952   6.464
  480   HD11  LEU  61          HD11      LEU  61  -4.452  34.259   6.192
  481   HD12  LEU  61          HD12      LEU  61  -4.578  32.800   7.188
  482   HD13  LEU  61          HD13      LEU  61  -3.364  34.025   7.582
  483   HD21  LEU  61          HD21      LEU  61  -3.662  32.997   3.886
  484   HD22  LEU  61          HD22      LEU  61  -2.645  31.575   4.174
  485   HD23  LEU  61          HD23      LEU  61  -4.296  31.643   4.835
  486    H    GLY  62           H        GLY  62  -3.668  34.733   3.389
  487    HA2  GLY  62           HA2      GLY  62  -5.802  35.557   4.075
  488    HA3  GLY  62           HA3      GLY  62  -5.058  36.937   4.870
  489    H    GLU  63           H        GLU  63  -4.307  35.666   1.580
  490    HA   GLU  63           HA       GLU  63  -4.758  38.416   0.513
  491    HB2  GLU  63           HB2      GLU  63  -3.391  35.984  -0.717
  492    HB3  GLU  63           HB3      GLU  63  -3.597  37.566  -1.487
  493    HG2  GLU  63           HG2      GLU  63  -2.336  38.581   0.473
  494    HG3  GLU  63           HG3      GLU  63  -1.928  36.939   0.985
  495    H    ASP  64           H        ASP  64  -5.830  35.019   0.249
  496    HA   ASP  64           HA       ASP  64  -8.270  35.843  -1.210
  497    HB2  ASP  64           HB2      ASP  64  -6.446  35.538  -2.941
  498    HB3  ASP  64           HB3      ASP  64  -6.301  33.860  -2.425
  499    H    GLU  65           H        GLU  65  -7.053  34.214   1.274
  500    HA   GLU  65           HA       GLU  65  -9.017  32.014   1.355
  501    HB2  GLU  65           HB2      GLU  65  -7.354  30.372   1.757
  502    HB3  GLU  65           HB3      GLU  65  -6.994  31.106   0.208
  503    HG2  GLU  65           HG2      GLU  65  -5.548  31.672   2.831
  504    HG3  GLU  65           HG3      GLU  65  -5.049  30.593   1.533
  505    H    SER  66           H        SER  66  -8.968  31.127   3.677
  506    HA   SER  66           HA       SER  66  -7.365  32.515   5.665
  507    HB2  SER  66           HB2      SER  66 -10.423  32.718   5.648
  508    HB3  SER  66           HB3      SER  66  -9.410  33.068   7.058
  509    HG   SER  66           HG       SER  66  -8.677  34.361   4.717
  510    H    ILE  67           H        ILE  67  -7.143  31.186   7.479
  511    HA   ILE  67           HA       ILE  67  -8.475  28.532   7.381
  512    HB   ILE  67           HB       ILE  67  -6.597  28.167   9.182
  513   HG12  ILE  67          HG12      ILE  67  -5.409  30.396   8.709
  514   HG13  ILE  67          HG13      ILE  67  -4.456  28.957   8.767
  515   HG21  ILE  67          HG21      ILE  67  -5.174  27.050   7.757
  516   HG22  ILE  67          HG22      ILE  67  -6.860  26.575   7.579
  517   HG23  ILE  67          HG23      ILE  67  -6.109  27.659   6.333
  518   HD11  ILE  67          HD11      ILE  67  -4.186  28.858   6.405
  519   HD12  ILE  67          HD12      ILE  67  -5.429  30.120   6.164
  520   HD13  ILE  67          HD13      ILE  67  -3.881  30.493   6.960
  521    HA   PRO  68           HA       PRO  68 -10.578  30.508  10.990
  522    HB2  PRO  68           HB2      PRO  68 -11.724  27.706  11.005
  523    HB3  PRO  68           HB3      PRO  68 -12.552  29.260  11.349
  524    HG2  PRO  68           HG2      PRO  68 -12.846  28.078   8.931
  525    HG3  PRO  68           HG3      PRO  68 -12.540  29.845   9.017
  526    HD2  PRO  68           HD2      PRO  68 -10.584  27.625   8.441
  527    HD3  PRO  68           HD3      PRO  68 -10.763  29.194   7.614
  528    H    GLU  69           H        GLU  69 -10.281  30.204  13.272
  529    HA   GLU  69           HA       GLU  69  -7.941  28.967  14.156
  530    HB2  GLU  69           HB2      GLU  69 -10.370  29.661  15.805
  531    HB3  GLU  69           HB3      GLU  69  -8.733  29.296  16.406
  532    HG2  GLU  69           HG2      GLU  69  -7.831  31.235  15.154
  533    HG3  GLU  69           HG3      GLU  69  -9.452  31.642  14.594
  534    H    GLU  70           H        GLU  70 -11.113  27.611  13.704
  535    HA   GLU  70           HA       GLU  70 -11.119  25.319  15.297
  536    HB2  GLU  70           HB2      GLU  70 -12.991  26.324  13.940
  537    HB3  GLU  70           HB3      GLU  70 -12.244  25.654  12.474
  538    HG2  GLU  70           HG2      GLU  70 -12.575  23.376  13.306
  539    HG3  GLU  70           HG3      GLU  70 -13.108  23.980  14.877
  540    H    ILE  71           H        ILE  71  -9.519  25.873  12.148
  541    HA   ILE  71           HA       ILE  71  -8.642  23.018  12.090
  542    HB   ILE  71           HB       ILE  71  -8.143  23.423   9.717
  543   HG12  ILE  71          HG12      ILE  71  -9.578  26.093  10.019
  544   HG13  ILE  71          HG13      ILE  71  -7.858  25.882   9.674
  545   HG21  ILE  71          HG21      ILE  71 -10.310  22.465  10.568
  546   HG22  ILE  71          HG22      ILE  71 -11.023  24.091  10.400
  547   HG23  ILE  71          HG23      ILE  71 -10.418  23.235   8.978
  548   HD11  ILE  71          HD11      ILE  71  -9.008  26.375   7.585
  549   HD12  ILE  71          HD12      ILE  71  -8.530  24.675   7.537
  550   HD13  ILE  71          HD13      ILE  71 -10.216  25.141   7.888
  551    H    ILE  72           H        ILE  72  -7.488  26.321  12.334
  552    HA   ILE  72           HA       ILE  72  -4.993  26.244  11.338
  553    HB   ILE  72           HB       ILE  72  -6.587  27.774  13.272
  554   HG12  ILE  72          HG12      ILE  72  -4.832  28.171  10.886
  555   HG13  ILE  72          HG13      ILE  72  -6.587  28.319  11.148
  556   HG21  ILE  72          HG21      ILE  72  -5.002  29.203  14.262
  557   HG22  ILE  72          HG22      ILE  72  -4.818  27.567  14.847
  558   HG23  ILE  72          HG23      ILE  72  -3.646  28.218  13.644
  559   HD11  ILE  72          HD11      ILE  72  -4.464  30.141  12.159
  560   HD12  ILE  72          HD12      ILE  72  -5.503  30.361  10.737
  561   HD13  ILE  72          HD13      ILE  72  -6.246  30.316  12.381
  562    H    ASN  73           H        ASN  73  -5.931  25.033  14.391
  563    HA   ASN  73           HA       ASN  73  -3.389  24.904  15.705
  564    HB2  ASN  73           HB2      ASN  73  -4.715  23.674  17.361
  565    HB3  ASN  73           HB3      ASN  73  -5.530  25.158  16.814
  566   HD21  ASN  73          HD21      ASN  73  -7.603  25.001  15.793
  567   HD22  ASN  73          HD22      ASN  73  -8.337  23.486  15.383
  568    H    GLY  74           H        GLY  74  -4.260  23.264  13.117
  569    HA2  GLY  74           HA2      GLY  74  -2.473  20.979  13.676
  570    HA3  GLY  74           HA3      GLY  74  -4.065  20.617  12.973
  571    H    LYS  75           H        LYS  75  -2.189  19.930  11.465
  572    HA   LYS  75           HA       LYS  75  -1.106  21.761   9.570
  573    HB2  LYS  75           HB2      LYS  75  -2.163  18.993   9.021
  574    HB3  LYS  75           HB3      LYS  75  -1.174  19.955   7.925
  575    HG2  LYS  75           HG2      LYS  75  -0.156  19.200  10.645
  576    HG3  LYS  75           HG3      LYS  75  -0.171  18.031   9.298
  577    HD2  LYS  75           HD2      LYS  75   1.981  18.824   9.188
  578    HD3  LYS  75           HD3      LYS  75   1.142  19.741   7.952
  579    HE2  LYS  75           HE2      LYS  75   2.571  21.251   9.110
  580    HE3  LYS  75           HE3      LYS  75   0.921  21.650   9.595
  581    HZ1  LYS  75           HZ1      LYS  75   2.865  20.055  11.184
  582    HZ2  LYS  75           HZ2      LYS  75   2.474  21.609  11.480
  583    HZ3  LYS  75           HZ3      LYS  75   1.348  20.434  11.683
  584    H    CYS  76           H        CYS  76  -2.128  22.598   7.654
  585    HA   CYS  76           HA       CYS  76  -5.000  21.932   7.292
  586    HB2  CYS  76           HB2      CYS  76  -4.002  24.800   7.187
  587    HB3  CYS  76           HB3      CYS  76  -5.579  24.237   6.644
  588    HG   CYS  76           HG       CYS  76  -4.301  23.763   9.676
  589    H    PHE  77           H        PHE  77  -5.723  22.158   5.185
  590    HA   PHE  77           HA       PHE  77  -3.599  21.976   3.098
  591    HB2  PHE  77           HB2      PHE  77  -5.997  20.124   3.553
  592    HB3  PHE  77           HB3      PHE  77  -4.755  19.987   2.311
  593    HD1  PHE  77           HD1      PHE  77  -5.568  19.551   5.872
  594    HD2  PHE  77           HD2      PHE  77  -2.479  19.354   2.921
  595    HE1  PHE  77           HE1      PHE  77  -4.084  18.503   7.529
  596    HE2  PHE  77           HE2      PHE  77  -0.842  18.649   4.696
  597    HZ   PHE  77           HZ       PHE  77  -1.699  17.990   6.920
  598    H    PHE  78           H        PHE  78  -4.053  23.683   1.831
  599    HA   PHE  78           HA       PHE  78  -6.760  24.588   1.166
  600    HB2  PHE  78           HB2      PHE  78  -4.703  26.109   1.204
  601    HB3  PHE  78           HB3      PHE  78  -4.140  25.217  -0.200
  602    HD1  PHE  78           HD1      PHE  78  -7.125  27.105   1.079
  603    HD2  PHE  78           HD2      PHE  78  -4.762  25.990  -2.344
  604    HE1  PHE  78           HE1      PHE  78  -8.539  28.553  -0.373
  605    HE2  PHE  78           HE2      PHE  78  -6.108  27.528  -3.764
  606    HZ   PHE  78           HZ       PHE  78  -7.973  28.823  -2.769
  607    H    ILE  79           H        ILE  79  -7.916  23.269  -0.049
  608    HA   ILE  79           HA       ILE  79  -6.520  21.473  -1.964
  609    HB   ILE  79           HB       ILE  79  -8.436  19.881  -1.343
  610   HG12  ILE  79          HG12      ILE  79  -8.688  21.545   1.156
  611   HG13  ILE  79          HG13      ILE  79  -9.702  21.859  -0.245
  612   HG21  ILE  79          HG21      ILE  79  -7.270  19.598   1.119
  613   HG22  ILE  79          HG22      ILE  79  -6.579  18.966  -0.372
  614   HG23  ILE  79          HG23      ILE  79  -6.023  20.506   0.317
  615   HD11  ILE  79          HD11      ILE  79  -9.779  19.322   1.313
  616   HD12  ILE  79          HD12      ILE  79 -10.938  20.686   1.312
  617   HD13  ILE  79          HD13      ILE  79 -10.724  19.742  -0.160
  618    H    HIS  80           H        HIS  80  -7.456  21.147  -4.009
  619    HA   HIS  80           HA       HIS  80  -9.777  22.886  -4.657
  620    HB2  HIS  80           HB2      HIS  80  -8.040  22.313  -6.395
  621    HB3  HIS  80           HB3      HIS  80  -8.668  20.653  -6.351
  622    HD2  HIS  80           HD2      HIS  80  -9.564  24.162  -7.498
  623    HE1  HIS  80           HE1      HIS  80 -12.655  21.625  -8.973
  624    HE2  HIS  80           HE2      HIS  80 -11.689  23.973  -9.077
  625    H    TYR  81           H        TYR  81 -11.743  22.223  -4.043
  626    HA   TYR  81           HA       TYR  81 -12.205  19.445  -3.259
  627    HB2  TYR  81           HB2      TYR  81 -13.851  21.949  -3.158
  628    HB3  TYR  81           HB3      TYR  81 -14.658  20.386  -3.176
  629    HD1  TYR  81           HD1      TYR  81 -13.145  18.636  -1.559
  630    HD2  TYR  81           HD2      TYR  81 -13.852  22.788  -0.865
  631    HE1  TYR  81           HE1      TYR  81 -13.510  18.125   0.804
  632    HE2  TYR  81           HE2      TYR  81 -14.046  22.346   1.569
  633    HH   TYR  81           HH       TYR  81 -14.184  20.650   3.233
  634    H    GLN  82           H        GLN  82 -12.041  18.138  -4.962
  635    HA   GLN  82           HA       GLN  82 -12.779  19.021  -7.643
  636    HB2  GLN  82           HB2      GLN  82 -11.981  16.200  -6.883
  637    HB3  GLN  82           HB3      GLN  82 -11.891  16.993  -8.449
  638    HG2  GLN  82           HG2      GLN  82 -10.176  18.586  -7.442
  639    HG3  GLN  82           HG3      GLN  82 -10.183  17.560  -5.997
  640   HE21  GLN  82          HE21      GLN  82  -9.290  15.431  -6.110
  641   HE22  GLN  82          HE22      GLN  82  -8.273  14.946  -7.450
  642    H    GLY  83           H        GLY  83 -14.269  17.801  -9.020
  643    HA2  GLY  83           HA2      GLY  83 -16.357  16.908  -9.474
  644    HA3  GLY  83           HA3      GLY  83 -16.489  16.343  -7.798
  645    H    TRP  84           H        TRP  84 -15.586  19.621  -7.656
  646    HA   TRP  84           HA       TRP  84 -18.345  20.649  -7.828
  647    HB2  TRP  84           HB2      TRP  84 -16.644  20.868  -5.302
  648    HB3  TRP  84           HB3      TRP  84 -18.240  21.581  -5.582
  649    HD1  TRP  84           HD1      TRP  84 -16.773  18.622  -4.023
  650    HE1  TRP  84           HE1      TRP  84 -18.676  17.059  -3.286
  651    HE3  TRP  84           HE3      TRP  84 -20.537  20.623  -6.797
  652    HZ2  TRP  84           HZ2      TRP  84 -21.492  16.852  -3.724
  653    HZ3  TRP  84           HZ3      TRP  84 -22.876  19.742  -6.612
  654    HH2  TRP  84           HH2      TRP  84 -23.366  17.850  -5.065
  655    H    LYS  85           H        LYS  85 -18.244  23.083  -7.228
  656    HA   LYS  85           HA       LYS  85 -16.854  24.245  -9.400
  657    HB2  LYS  85           HB2      LYS  85 -17.952  25.660  -6.930
  658    HB3  LYS  85           HB3      LYS  85 -17.653  26.395  -8.495
  659    HG2  LYS  85           HG2      LYS  85 -19.779  24.322  -7.821
  660    HG3  LYS  85           HG3      LYS  85 -20.043  26.027  -8.141
  661    HD2  LYS  85           HD2      LYS  85 -19.051  23.991 -10.190
  662    HD3  LYS  85           HD3      LYS  85 -20.706  24.589 -10.022
  663    HE2  LYS  85           HE2      LYS  85 -19.887  26.919 -10.430
  664    HE3  LYS  85           HE3      LYS  85 -18.266  26.274 -10.738
  665    HZ1  LYS  85           HZ1      LYS  85 -20.694  25.619 -12.301
  666    HZ2  LYS  85           HZ2      LYS  85 -19.495  26.617 -12.783
  667    HZ3  LYS  85           HZ3      LYS  85 -19.189  25.022 -12.595
  668    H    SER  86           H        SER  86 -14.888  25.305  -9.565
  669    HA   SER  86           HA       SER  86 -12.893  25.063  -7.621
  670    HB2  SER  86           HB2      SER  86 -13.129  27.172  -9.802
  671    HB3  SER  86           HB3      SER  86 -11.626  26.657  -9.005
  672    HG   SER  86           HG       SER  86 -12.084  25.630 -11.078
  673    H    SER  87           H        SER  87 -15.598  27.253  -7.477
  674    HA   SER  87           HA       SER  87 -14.504  29.321  -5.892
  675    HB2  SER  87           HB2      SER  87 -17.242  28.066  -5.535
  676    HB3  SER  87           HB3      SER  87 -16.759  29.754  -5.284
  677    HG   SER  87           HG       SER  87 -17.868  29.516  -7.256
  678    H    TRP  88           H        TRP  88 -15.085  25.919  -5.226
  679    HA   TRP  88           HA       TRP  88 -14.825  26.163  -2.319
  680    HB2  TRP  88           HB2      TRP  88 -15.042  23.753  -4.177
  681    HB3  TRP  88           HB3      TRP  88 -15.025  23.719  -2.432
  682    HD1  TRP  88           HD1      TRP  88 -17.429  26.225  -4.028
  683    HE1  TRP  88           HE1      TRP  88 -19.767  25.463  -3.437
  684    HE3  TRP  88           HE3      TRP  88 -16.249  21.747  -1.950
  685    HZ2  TRP  88           HZ2      TRP  88 -21.054  22.999  -2.442
  686    HZ3  TRP  88           HZ3      TRP  88 -18.051  20.130  -1.288
  687    HH2  TRP  88           HH2      TRP  88 -20.438  20.758  -1.517
  688    H    ASP  89           H        ASP  89 -12.441  26.833  -4.326
  689    HA   ASP  89           HA       ASP  89 -10.406  24.869  -3.560
  690    HB2  ASP  89           HB2      ASP  89 -10.396  27.631  -4.804
  691    HB3  ASP  89           HB3      ASP  89  -8.953  27.040  -4.002
  692    H    GLU  90           H        GLU  90 -10.759  24.549  -1.285
  693    HA   GLU  90           HA       GLU  90 -10.471  27.002   0.439
  694    HB2  GLU  90           HB2      GLU  90 -12.838  26.095   0.010
  695    HB3  GLU  90           HB3      GLU  90 -12.282  24.557   0.714
  696    HG2  GLU  90           HG2      GLU  90 -13.619  25.861   2.284
  697    HG3  GLU  90           HG3      GLU  90 -12.001  25.587   2.874
  698    H    TRP  91           H        TRP  91  -9.239  26.689   2.426
  699    HA   TRP  91           HA       TRP  91  -7.991  24.123   2.658
  700    HB2  TRP  91           HB2      TRP  91  -7.976  25.623   5.171
  701    HB3  TRP  91           HB3      TRP  91  -6.717  24.746   4.336
  702    HD1  TRP  91           HD1      TRP  91  -8.546  28.096   4.116
  703    HE1  TRP  91           HE1      TRP  91  -6.799  29.930   4.028
  704    HE3  TRP  91           HE3      TRP  91  -4.274  25.242   3.880
  705    HZ2  TRP  91           HZ2      TRP  91  -3.987  30.133   3.277
  706    HZ3  TRP  91           HZ3      TRP  91  -2.084  26.328   3.386
  707    HH2  TRP  91           HH2      TRP  91  -2.011  28.818   2.967
  708    H    VAL  92           H        VAL  92  -8.043  22.639   4.230
  709    HA   VAL  92           HA       VAL  92 -10.220  22.720   6.264
  710    HB   VAL  92           HB       VAL  92 -10.391  20.186   5.939
  711   HG11  VAL  92          HG11      VAL  92 -12.208  21.660   5.271
  712   HG12  VAL  92          HG12      VAL  92 -11.441  21.887   3.669
  713   HG13  VAL  92          HG13      VAL  92 -11.989  20.262   4.186
  714   HG21  VAL  92          HG21      VAL  92  -9.940  19.291   3.728
  715   HG22  VAL  92          HG22      VAL  92  -9.224  20.827   3.212
  716   HG23  VAL  92          HG23      VAL  92  -8.442  19.896   4.497
  717    H    GLY  93           H        GLY  93  -9.703  21.249   8.068
  718    HA2  GLY  93           HA2      GLY  93  -6.770  21.002   8.537
  719    HA3  GLY  93           HA3      GLY  93  -8.021  21.037   9.786
  720    H    TYR  94           H        TYR  94  -6.274  19.015   9.842
  721    HA   TYR  94           HA       TYR  94  -6.977  16.629   8.493
  722    HB2  TYR  94           HB2      TYR  94  -5.148  17.510  10.453
  723    HB3  TYR  94           HB3      TYR  94  -6.005  16.136  11.173
  724    HD1  TYR  94           HD1      TYR  94  -6.419  14.166   9.419
  725    HD2  TYR  94           HD2      TYR  94  -3.314  17.117   9.142
  726    HE1  TYR  94           HE1      TYR  94  -5.256  12.765   7.726
  727    HE2  TYR  94           HE2      TYR  94  -2.236  15.800   7.333
  728    HH   TYR  94           HH       TYR  94  -3.387  12.513   6.392
  729    H    ASP  95           H        ASP  95  -8.528  18.258  11.051
  730    HA   ASP  95           HA       ASP  95 -10.195  16.280  12.178
  731    HB2  ASP  95           HB2      ASP  95 -10.074  18.565  13.053
  732    HB3  ASP  95           HB3      ASP  95 -10.765  19.203  11.557
  733    H    ARG  96           H        ARG  96 -10.290  17.716   8.969
  734    HA   ARG  96           HA       ARG  96 -12.777  16.146   8.383
  735    HB2  ARG  96           HB2      ARG  96 -11.737  18.665   7.031
  736    HB3  ARG  96           HB3      ARG  96 -13.146  17.741   6.514
  737    HG2  ARG  96           HG2      ARG  96 -12.856  19.283   9.123
  738    HG3  ARG  96           HG3      ARG  96 -13.831  19.721   7.718
  739    HD2  ARG  96           HD2      ARG  96 -15.138  17.546   8.064
  740    HD3  ARG  96           HD3      ARG  96 -14.271  17.353   9.583
  741    HE   ARG  96           HE       ARG  96 -15.371  19.135  10.538
  742   HH11  ARG  96          HH11      ARG  96 -16.399  18.794   7.131
  743   HH12  ARG  96          HH12      ARG  96 -17.765  19.846   7.306
  744   HH21  ARG  96          HH21      ARG  96 -17.190  20.542  10.739
  745   HH22  ARG  96          HH22      ARG  96 -18.214  20.861   9.390
  746    H    ILE  97           H        ILE  97  -9.426  16.937   7.197
  747    HA   ILE  97           HA       ILE  97 -10.034  15.232   4.898
  748    HB   ILE  97           HB       ILE  97  -9.193  17.592   4.841
  749   HG12  ILE  97          HG12      ILE  97  -7.711  15.486   3.256
  750   HG13  ILE  97          HG13      ILE  97  -9.192  16.315   2.796
  751   HG21  ILE  97          HG21      ILE  97  -6.347  16.639   5.030
  752   HG22  ILE  97          HG22      ILE  97  -7.132  18.243   5.123
  753   HG23  ILE  97          HG23      ILE  97  -7.215  17.145   6.516
  754   HD11  ILE  97          HD11      ILE  97  -6.376  17.431   2.898
  755   HD12  ILE  97          HD12      ILE  97  -7.541  17.430   1.570
  756   HD13  ILE  97          HD13      ILE  97  -7.806  18.479   2.951
  757    H    ARG  98           H        ARG  98  -8.738  13.600   4.108
  758    HA   ARG  98           HA       ARG  98  -6.228  12.908   5.489
  759    HB2  ARG  98           HB2      ARG  98  -8.409  10.959   4.848
  760    HB3  ARG  98           HB3      ARG  98  -6.710  10.565   5.263
  761    HG2  ARG  98           HG2      ARG  98  -7.199  11.716   7.538
  762    HG3  ARG  98           HG3      ARG  98  -8.923  11.711   7.043
  763    HD2  ARG  98           HD2      ARG  98  -8.544   9.292   6.401
  764    HD3  ARG  98           HD3      ARG  98  -6.999   9.381   7.231
  765    HE   ARG  98           HE       ARG  98  -8.287   9.882   9.323
  766   HH11  ARG  98          HH11      ARG  98 -10.031   8.274   6.643
  767   HH12  ARG  98          HH12      ARG  98 -11.180   7.521   7.684
  768   HH21  ARG  98          HH21      ARG  98  -9.813   8.837  10.691
  769   HH22  ARG  98          HH22      ARG  98 -11.037   7.824  10.021
  770    H    ALA  99           H        ALA  99  -4.856  11.730   4.023
  771    HA   ALA  99           HA       ALA  99  -4.970  12.616   1.322
  772    HB1  ALA  99           HB1      ALA  99  -3.012  12.356   2.784
  773    HB2  ALA  99           HB2      ALA  99  -3.178  10.599   2.554
  774    HB3  ALA  99           HB3      ALA  99  -2.809  11.724   1.149
  775    H    TYR 100           H        TYR 100  -4.504  11.352  -0.527
  776    HA   TYR 100           HA       TYR 100  -6.870   9.766  -0.914
  777    HB2  TYR 100           HB2      TYR 100  -5.626  11.234  -2.524
  778    HB3  TYR 100           HB3      TYR 100  -4.648   9.836  -2.900
  779    HD1  TYR 100           HD1      TYR 100  -7.950  11.438  -3.174
  780    HD2  TYR 100           HD2      TYR 100  -5.682   7.893  -4.090
  781    HE1  TYR 100           HE1      TYR 100  -9.732  10.713  -4.729
  782    HE2  TYR 100           HE2      TYR 100  -7.450   7.152  -5.653
  783    HH   TYR 100           HH       TYR 100  -9.519   7.654  -6.610
  784    H    ASN 101           H        ASN 101  -7.086   7.841  -0.080
  785    HA   ASN 101           HA       ASN 101  -5.442   5.631  -0.944
  786    HB2  ASN 101           HB2      ASN 101  -4.334   4.975   0.980
  787    HB3  ASN 101           HB3      ASN 101  -4.114   6.717   0.992
  788   HD21  ASN 101          HD21      ASN 101  -5.547   8.015   2.417
  789   HD22  ASN 101          HD22      ASN 101  -5.983   7.302   3.946
  790    H    GLU 102           H        GLU 102  -5.974   3.568   0.260
  791    HA   GLU 102           HA       GLU 102  -8.523   2.889  -0.498
  792    HB2  GLU 102           HB2      GLU 102  -6.501   1.409  -0.238
  793    HB3  GLU 102           HB3      GLU 102  -6.743   1.445   1.520
  794    HG2  GLU 102           HG2      GLU 102  -8.949   0.354   1.248
  795    HG3  GLU 102           HG3      GLU 102  -8.774   0.414  -0.510
  796    H    GLU 103           H        GLU 103  -7.409   3.805   2.781
  797    HA   GLU 103           HA       GLU 103  -9.729   2.987   4.224
  798    HB2  GLU 103           HB2      GLU 103  -7.639   3.534   5.302
  799    HB3  GLU 103           HB3      GLU 103  -7.648   5.177   4.639
  800    HG2  GLU 103           HG2      GLU 103  -9.452   5.865   5.999
  801    HG3  GLU 103           HG3      GLU 103  -9.815   4.207   6.512
  802    H    ASN 104           H        ASN 104  -9.082   5.818   2.145
  803    HA   ASN 104           HA       ASN 104 -11.420   7.257   3.275
  804    HB2  ASN 104           HB2      ASN 104  -9.360   8.154   1.359
  805    HB3  ASN 104           HB3      ASN 104 -10.759   9.089   1.977
  806   HD21  ASN 104          HD21      ASN 104  -7.628   9.161   2.365
  807   HD22  ASN 104          HD22      ASN 104  -7.450   9.223   4.092
  808    H    ILE 105           H        ILE 105 -10.361   5.348   0.550
  809    HA   ILE 105           HA       ILE 105 -12.711   5.888  -1.068
  810    HB   ILE 105           HB       ILE 105 -10.356   4.053  -0.951
  811   HG12  ILE 105          HG12      ILE 105  -9.539   5.349  -2.659
  812   HG13  ILE 105          HG13      ILE 105 -11.153   5.679  -3.339
  813   HG21  ILE 105          HG21      ILE 105 -12.694   3.839  -2.825
  814   HG22  ILE 105          HG22      ILE 105 -11.080   3.123  -3.149
  815   HG23  ILE 105          HG23      ILE 105 -12.016   2.609  -1.730
  816   HD11  ILE 105          HD11      ILE 105  -9.970   7.745  -2.694
  817   HD12  ILE 105          HD12      ILE 105 -11.457   7.563  -1.736
  818   HD13  ILE 105          HD13      ILE 105  -9.859   7.196  -1.031
  819    H    ALA 106           H        ALA 106 -11.866   3.674   1.589
  820    HA   ALA 106           HA       ALA 106 -14.209   2.023   1.316
  821    HB1  ALA 106           HB1      ALA 106 -13.555   1.221   3.530
  822    HB2  ALA 106           HB2      ALA 106 -12.103   1.410   2.505
  823    HB3  ALA 106           HB3      ALA 106 -12.468   2.610   3.756
  824    H    MET 107           H        MET 107 -13.305   4.927   3.213
  825    HA   MET 107           HA       MET 107 -15.807   5.624   4.371
  826    HB2  MET 107           HB2      MET 107 -13.408   7.066   3.391
  827    HB3  MET 107           HB3      MET 107 -14.861   8.053   3.279
  828    HG2  MET 107           HG2      MET 107 -15.195   8.208   5.368
  829    HG3  MET 107           HG3      MET 107 -14.282   6.726   5.814
  830    HE1  MET 107           HE1      MET 107 -11.729  10.322   4.155
  831    HE2  MET 107           HE2      MET 107 -12.677   9.203   3.154
  832    HE3  MET 107           HE3      MET 107 -13.495  10.446   4.151
  833    H    LYS 108           H        LYS 108 -14.472   6.566   1.175
  834    HA   LYS 108           HA       LYS 108 -16.509   8.066   0.514
  835    HB2  LYS 108           HB2      LYS 108 -14.516   8.032  -0.947
  836    HB3  LYS 108           HB3      LYS 108 -14.728   6.344  -1.303
  837    HG2  LYS 108           HG2      LYS 108 -15.221   7.563  -3.284
  838    HG3  LYS 108           HG3      LYS 108 -16.654   6.745  -2.723
  839    HD2  LYS 108           HD2      LYS 108 -17.601   8.780  -3.213
  840    HD3  LYS 108           HD3      LYS 108 -17.170   9.092  -1.539
  841    HE2  LYS 108           HE2      LYS 108 -16.128  10.921  -2.403
  842    HE3  LYS 108           HE3      LYS 108 -14.802   9.780  -2.734
  843    HZ1  LYS 108           HZ1      LYS 108 -15.528  11.222  -4.611
  844    HZ2  LYS 108           HZ2      LYS 108 -15.579   9.609  -4.988
  845    HZ3  LYS 108           HZ3      LYS 108 -16.955  10.448  -4.672
  846    H    LYS 109           H        LYS 109 -16.026   4.631  -0.530
  847    HA   LYS 109           HA       LYS 109 -18.463   4.423  -1.953
  848    HB2  LYS 109           HB2      LYS 109 -17.874   2.199  -2.384
  849    HB3  LYS 109           HB3      LYS 109 -16.331   3.039  -2.170
  850    HG2  LYS 109           HG2      LYS 109 -16.182   2.159   0.127
  851    HG3  LYS 109           HG3      LYS 109 -17.640   1.178  -0.180
  852    HD2  LYS 109           HD2      LYS 109 -16.541   0.035  -2.057
  853    HD3  LYS 109           HD3      LYS 109 -15.194   1.186  -2.027
  854    HE2  LYS 109           HE2      LYS 109 -14.354  -0.725  -1.034
  855    HE3  LYS 109           HE3      LYS 109 -14.616   0.494   0.219
  856    HZ1  LYS 109           HZ1      LYS 109 -16.618  -0.712   0.894
  857    HZ2  LYS 109           HZ2      LYS 109 -16.409  -1.821  -0.294
  858    HZ3  LYS 109           HZ3      LYS 109 -15.340  -1.728   0.930
  859    H    ARG 110           H        ARG 110 -17.726   3.656   1.458
  860    HA   ARG 110           HA       ARG 110 -20.215   2.391   2.099
  861    HB2  ARG 110           HB2      ARG 110 -18.146   2.372   3.465
  862    HB3  ARG 110           HB3      ARG 110 -18.334   4.086   3.825
  863    HG2  ARG 110           HG2      ARG 110 -20.346   1.933   4.630
  864    HG3  ARG 110           HG3      ARG 110 -18.968   2.448   5.616
  865    HD2  ARG 110           HD2      ARG 110 -19.847   4.778   5.605
  866    HD3  ARG 110           HD3      ARG 110 -21.310   4.182   4.774
  867    HE   ARG 110           HE       ARG 110 -20.910   2.581   7.061
  868   HH11  ARG 110          HH11      ARG 110 -21.755   5.957   6.342
  869   HH12  ARG 110          HH12      ARG 110 -22.690   6.176   7.778
  870   HH21  ARG 110          HH21      ARG 110 -22.148   2.872   8.978
  871   HH22  ARG 110          HH22      ARG 110 -22.882   4.391   9.325
  872    H    LEU 111           H        LEU 111 -19.204   5.887   2.214
  873    HA   LEU 111           HA       LEU 111 -21.794   6.805   3.085
  874    HB2  LEU 111           HB2      LEU 111 -19.662   8.191   1.424
  875    HB3  LEU 111           HB3      LEU 111 -21.055   8.949   2.184
  876    HG   LEU 111           HG       LEU 111 -19.052   7.523   3.930
  877   HD11  LEU 111          HD11      LEU 111 -17.744   9.601   4.026
  878   HD12  LEU 111          HD12      LEU 111 -17.859   9.060   2.357
  879   HD13  LEU 111          HD13      LEU 111 -18.889  10.390   2.910
  880   HD21  LEU 111          HD21      LEU 111 -19.897   9.174   5.557
  881   HD22  LEU 111          HD22      LEU 111 -20.945   9.893   4.296
  882   HD23  LEU 111          HD23      LEU 111 -21.233   8.243   4.861
  883    H    ALA 112           H        ALA 112 -20.278   6.495  -0.146
  884    HA   ALA 112           HA       ALA 112 -22.346   7.641  -1.622
  885    HB1  ALA 112           HB1      ALA 112 -21.434   6.463  -3.558
  886    HB2  ALA 112           HB2      ALA 112 -20.144   7.115  -2.540
  887    HB3  ALA 112           HB3      ALA 112 -20.534   5.368  -2.495
  888    H    ASN 113           H        ASN 113 -22.544   4.576   0.064
  889    HA   ASN 113           HA       ASN 113 -24.757   3.552  -1.493
  890    HB2  ASN 113           HB2      ASN 113 -24.649   1.798  -0.154
  891    HB3  ASN 113           HB3      ASN 113 -23.235   2.520   0.586
  892   HD21  ASN 113          HD21      ASN 113 -23.534   3.665   2.661
  893   HD22  ASN 113          HD22      ASN 113 -24.913   3.282   3.671
  894    H    LEU 114           H        LEU 114 -24.507   6.059   0.978
  895    HA   LEU 114           HA       LEU 114 -27.338   6.266   1.567
  896    HB2  LEU 114           HB2      LEU 114 -25.594   6.982   3.163
  897    HB3  LEU 114           HB3      LEU 114 -25.028   8.183   1.996
  898    HG   LEU 114           HG       LEU 114 -27.148   9.393   2.111
  899   HD11  LEU 114          HD11      LEU 114 -27.849   7.381   4.297
  900   HD12  LEU 114          HD12      LEU 114 -28.735   8.891   3.962
  901   HD13  LEU 114          HD13      LEU 114 -28.701   7.606   2.753
  902   HD21  LEU 114          HD21      LEU 114 -25.770   8.903   4.774
  903   HD22  LEU 114          HD22      LEU 114 -25.234   9.998   3.474
  904   HD23  LEU 114          HD23      LEU 114 -26.741  10.335   4.341
  905    H    GLU 115           H        GLU 115 -24.989   8.007  -0.450
  906    HA   GLU 115           HA       GLU 115 -26.496  10.082  -1.451
  907    HB2  GLU 115           HB2      GLU 115 -24.081   9.745  -1.874
  908    HB3  GLU 115           HB3      GLU 115 -24.450   8.451  -3.011
  909    HG2  GLU 115           HG2      GLU 115 -25.674  10.067  -4.454
  910    HG3  GLU 115           HG3      GLU 115 -25.388  11.347  -3.271
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  -1.015  -0.500   1.330
    2    H2   MET   1           H2       MET   1  -2.428   0.237   0.903
    3    H3   MET   1           H3       MET   1  -0.981   0.926   0.498
    4    HA   MET   1           HA       MET   1  -1.772   2.167   2.230
    5    HB2  MET   1           HB2      MET   1  -3.430   0.549   3.079
    6    HB3  MET   1           HB3      MET   1  -2.131  -0.420   3.798
    7    HG2  MET   1           HG2      MET   1  -1.485   1.515   5.213
    8    HG3  MET   1           HG3      MET   1  -2.738   2.500   4.444
    9    HE1  MET   1           HE1      MET   1  -3.507   3.226   6.816
   10    HE2  MET   1           HE2      MET   1  -3.992   2.113   8.108
   11    HE3  MET   1           HE3      MET   1  -2.293   2.176   7.586
   12    H    VAL   2           H        VAL   2   0.011   3.221   2.825
   13    HA   VAL   2           HA       VAL   2   2.112   1.900   4.403
   14    HB   VAL   2           HB       VAL   2   2.749   3.776   2.070
   15   HG11  VAL   2          HG11      VAL   2   4.444   3.829   3.844
   16   HG12  VAL   2          HG12      VAL   2   4.550   2.052   3.836
   17   HG13  VAL   2          HG13      VAL   2   5.085   3.002   2.435
   18   HG21  VAL   2          HG21      VAL   2   3.768   1.829   0.897
   19   HG22  VAL   2          HG22      VAL   2   3.070   0.744   2.117
   20   HG23  VAL   2          HG23      VAL   2   2.024   1.681   1.028
   21    H    ASP   3           H        ASP   3   3.156   3.648   5.763
   22    HA   ASP   3           HA       ASP   3   1.400   5.552   6.831
   23    HB2  ASP   3           HB2      ASP   3   3.402   4.783   7.981
   24    HB3  ASP   3           HB3      ASP   3   4.434   5.498   6.743
   25    H    LEU   4           H        LEU   4   3.768   5.922   4.176
   26    HA   LEU   4           HA       LEU   4   3.523   8.721   3.839
   27    HB2  LEU   4           HB2      LEU   4   5.355   7.312   2.950
   28    HB3  LEU   4           HB3      LEU   4   4.225   6.541   1.831
   29    HG   LEU   4           HG       LEU   4   3.918   8.678   0.625
   30   HD11  LEU   4          HD11      LEU   4   5.929   9.816   2.631
   31   HD12  LEU   4          HD12      LEU   4   5.398  10.611   1.128
   32   HD13  LEU   4          HD13      LEU   4   4.239  10.327   2.422
   33   HD21  LEU   4          HD21      LEU   4   6.163   8.817  -0.347
   34   HD22  LEU   4          HD22      LEU   4   6.852   7.978   1.054
   35   HD23  LEU   4          HD23      LEU   4   5.724   7.135  -0.033
   36    H    GLU   5           H        GLU   5   1.312   6.148   2.905
   37    HA   GLU   5           HA       GLU   5  -0.094   7.818   0.914
   38    HB2  GLU   5           HB2      GLU   5  -0.773   5.063   2.041
   39    HB3  GLU   5           HB3      GLU   5  -1.620   5.901   0.734
   40    HG2  GLU   5           HG2      GLU   5   0.508   5.919  -0.592
   41    HG3  GLU   5           HG3      GLU   5   1.257   4.911   0.652
   42    H    GLN   6           H        GLN   6  -0.026   7.518   4.347
   43    HA   GLN   6           HA       GLN   6  -2.871   8.172   4.737
   44    HB2  GLN   6           HB2      GLN   6  -1.271   6.322   5.996
   45    HB3  GLN   6           HB3      GLN   6  -0.898   7.746   6.978
   46    HG2  GLN   6           HG2      GLN   6  -3.399   8.098   7.197
   47    HG3  GLN   6           HG3      GLN   6  -3.595   6.565   6.327
   48   HE21  GLN   6          HE21      GLN   6  -4.531   5.232   8.048
   49   HE22  GLN   6          HE22      GLN   6  -3.675   4.973   9.552
   50    H    GLU   7           H        GLU   7   0.465   9.238   5.173
   51    HA   GLU   7           HA       GLU   7   0.145  11.752   6.379
   52    HB2  GLU   7           HB2      GLU   7   2.285  10.325   5.675
   53    HB3  GLU   7           HB3      GLU   7   2.055  11.110   4.088
   54    HG2  GLU   7           HG2      GLU   7   3.613  12.377   5.158
   55    HG3  GLU   7           HG3      GLU   7   2.134  13.320   5.300
   56    H    PHE   8           H        PHE   8  -0.468  13.720   5.498
   57    HA   PHE   8           HA       PHE   8  -1.805  13.950   2.977
   58    HB2  PHE   8           HB2      PHE   8  -1.515  16.310   3.171
   59    HB3  PHE   8           HB3      PHE   8  -2.053  15.721   4.747
   60    HD1  PHE   8           HD1      PHE   8  -0.184  15.437   6.596
   61    HD2  PHE   8           HD2      PHE   8   0.496  17.535   2.890
   62    HE1  PHE   8           HE1      PHE   8   1.763  16.585   7.603
   63    HE2  PHE   8           HE2      PHE   8   2.470  18.656   3.897
   64    HZ   PHE   8           HZ       PHE   8   3.097  18.200   6.255
   65    H    ALA   9           H        ALA   9  -1.020  14.779   1.050
   66    HA   ALA   9           HA       ALA   9   1.902  15.370   0.891
   67    HB1  ALA   9           HB1      ALA   9   1.591  12.994   0.472
   68    HB2  ALA   9           HB2      ALA   9   0.204  13.332  -0.572
   69    HB3  ALA   9           HB3      ALA   9   1.855  13.805  -1.116
   70    H    LEU  10           H        LEU  10   2.234  17.152  -0.334
   71    HA   LEU  10           HA       LEU  10   0.110  18.612  -1.588
   72    HB2  LEU  10           HB2      LEU  10   2.342  19.501  -2.926
   73    HB3  LEU  10           HB3      LEU  10   1.631  20.182  -1.480
   74    HG   LEU  10           HG       LEU  10   3.251  18.857  -0.107
   75   HD11  LEU  10          HD11      LEU  10   3.810  17.055  -1.756
   76   HD12  LEU  10          HD12      LEU  10   4.550  18.264  -2.815
   77   HD13  LEU  10          HD13      LEU  10   5.261  17.916  -1.229
   78   HD21  LEU  10          HD21      LEU  10   4.773  20.585  -2.062
   79   HD22  LEU  10          HD22      LEU  10   3.602  21.283  -0.938
   80   HD23  LEU  10          HD23      LEU  10   5.011  20.391  -0.328
   81    H    GLY  11           H        GLY  11   1.699  15.769  -2.541
   82    HA2  GLY  11           HA2      GLY  11   0.369  15.979  -5.171
   83    HA3  GLY  11           HA3      GLY  11   1.919  15.109  -4.970
   84    H    GLY  12           H        GLY  12  -0.449  14.871  -2.342
   85    HA2  GLY  12           HA2      GLY  12  -1.176  12.122  -3.115
   86    HA3  GLY  12           HA3      GLY  12  -1.665  13.036  -1.674
   87    H    ARG  13           H        ARG  13  -3.813  12.333  -2.204
   88    HA   ARG  13           HA       ARG  13  -5.254  14.332  -3.706
   89    HB2  ARG  13           HB2      ARG  13  -4.803  12.531  -5.442
   90    HB3  ARG  13           HB3      ARG  13  -5.653  11.387  -4.398
   91    HG2  ARG  13           HG2      ARG  13  -7.289  13.796  -4.855
   92    HG3  ARG  13           HG3      ARG  13  -6.720  13.115  -6.385
   93    HD2  ARG  13           HD2      ARG  13  -7.478  10.809  -5.309
   94    HD3  ARG  13           HD3      ARG  13  -8.406  11.842  -4.225
   95    HE   ARG  13           HE       ARG  13  -9.926  12.165  -5.970
   96   HH11  ARG  13          HH11      ARG  13  -6.906  10.954  -7.422
   97   HH12  ARG  13          HH12      ARG  13  -7.604  10.727  -8.985
   98   HH21  ARG  13          HH21      ARG  13 -10.837  11.806  -7.959
   99   HH22  ARG  13          HH22      ARG  13  -9.892  11.260  -9.325
  100    H    CYS  14           H        CYS  14  -5.898  14.874  -1.644
  101    HA   CYS  14           HA       CYS  14  -6.471  12.848   0.357
  102    HB2  CYS  14           HB2      CYS  14  -6.423  15.855   0.206
  103    HB3  CYS  14           HB3      CYS  14  -7.511  15.114   1.348
  104    HG   CYS  14           HG       CYS  14  -5.340  15.923   2.527
  105    H    LEU  15           H        LEU  15  -8.561  13.293   1.550
  106    HA   LEU  15           HA       LEU  15 -10.984  13.659  -0.107
  107    HB2  LEU  15           HB2      LEU  15 -10.523  11.520   2.031
  108    HB3  LEU  15           HB3      LEU  15 -12.030  11.876   1.229
  109    HG   LEU  15           HG       LEU  15 -11.311   9.910   0.375
  110   HD11  LEU  15          HD11      LEU  15 -11.143  10.232  -1.997
  111   HD12  LEU  15          HD12      LEU  15 -12.070  11.607  -1.347
  112   HD13  LEU  15          HD13      LEU  15 -10.371  11.809  -1.801
  113   HD21  LEU  15          HD21      LEU  15  -9.275   9.144  -0.316
  114   HD22  LEU  15          HD22      LEU  15  -8.576  10.773  -0.535
  115   HD23  LEU  15          HD23      LEU  15  -8.892  10.120   1.099
  116    H    ALA  16           H        ALA  16 -12.492  14.848   1.200
  117    HA   ALA  16           HA       ALA  16 -11.711  15.361   3.999
  118    HB1  ALA  16           HB1      ALA  16 -10.676  17.284   2.925
  119    HB2  ALA  16           HB2      ALA  16 -12.161  17.599   1.973
  120    HB3  ALA  16           HB3      ALA  16 -12.128  17.823   3.739
  121    H    PHE  17           H        PHE  17 -13.245  15.554   5.367
  122    HA   PHE  17           HA       PHE  17 -15.909  14.671   4.525
  123    HB2  PHE  17           HB2      PHE  17 -14.135  14.331   6.837
  124    HB3  PHE  17           HB3      PHE  17 -15.755  14.790   7.335
  125    HD1  PHE  17           HD1      PHE  17 -17.719  13.419   6.036
  126    HD2  PHE  17           HD2      PHE  17 -13.661  12.071   6.698
  127    HE1  PHE  17           HE1      PHE  17 -18.462  11.109   5.963
  128    HE2  PHE  17           HE2      PHE  17 -14.482   9.716   6.661
  129    HZ   PHE  17           HZ       PHE  17 -16.870   9.235   6.423
  130    H    HIS  18           H        HIS  18 -17.818  15.521   5.124
  131    HA   HIS  18           HA       HIS  18 -17.833  18.369   6.093
  132    HB2  HIS  18           HB2      HIS  18 -19.553  16.993   3.999
  133    HB3  HIS  18           HB3      HIS  18 -20.038  18.473   4.818
  134    HD2  HIS  18           HD2      HIS  18 -17.428  17.180   2.280
  135    HE1  HIS  18           HE1      HIS  18 -17.178  21.438   2.267
  136    HE2  HIS  18           HE2      HIS  18 -16.373  19.308   1.138
  137    H    GLY  19           H        GLY  19 -19.841  15.399   5.750
  138    HA2  GLY  19           HA2      GLY  19 -20.223  14.777   8.401
  139    HA3  GLY  19           HA3      GLY  19 -21.482  15.978   8.064
  140    HA   PRO  20           HA       PRO  20 -23.958  12.947   5.872
  141    HB2  PRO  20           HB2      PRO  20 -23.716  14.551   3.326
  142    HB3  PRO  20           HB3      PRO  20 -25.184  13.897   4.103
  143    HG2  PRO  20           HG2      PRO  20 -24.557  16.536   4.314
  144    HG3  PRO  20           HG3      PRO  20 -25.174  15.640   5.741
  145    HD2  PRO  20           HD2      PRO  20 -22.312  16.358   5.081
  146    HD3  PRO  20           HD3      PRO  20 -23.171  16.447   6.645
  147    H    LEU  21           H        LEU  21 -21.243  14.223   3.904
  148    HA   LEU  21           HA       LEU  21 -20.272  11.534   3.393
  149    HB2  LEU  21           HB2      LEU  21 -21.819  12.816   1.358
  150    HB3  LEU  21           HB3      LEU  21 -20.172  13.124   0.887
  151    HG   LEU  21           HG       LEU  21 -20.022  10.491   1.628
  152   HD11  LEU  21          HD11      LEU  21 -22.000   9.359   0.521
  153   HD12  LEU  21          HD12      LEU  21 -22.452  10.284   1.940
  154   HD13  LEU  21          HD13      LEU  21 -22.724  10.957   0.304
  155   HD21  LEU  21          HD21      LEU  21 -18.929  11.088  -0.355
  156   HD22  LEU  21          HD22      LEU  21 -20.043   9.795  -0.724
  157   HD23  LEU  21          HD23      LEU  21 -20.475  11.473  -1.168
  158    H    MET  22           H        MET  22 -18.249  12.033   1.704
  159    HA   MET  22           HA       MET  22 -16.833  14.441   2.593
  160    HB2  MET  22           HB2      MET  22 -15.004  13.307   3.371
  161    HB3  MET  22           HB3      MET  22 -16.097  11.962   3.631
  162    HG2  MET  22           HG2      MET  22 -14.491  12.438   1.103
  163    HG3  MET  22           HG3      MET  22 -13.877  11.632   2.475
  164    HE1  MET  22           HE1      MET  22 -14.541   9.284  -0.595
  165    HE2  MET  22           HE2      MET  22 -14.841  11.024  -0.796
  166    HE3  MET  22           HE3      MET  22 -13.412  10.412   0.122
  167    H    TYR  23           H        TYR  23 -15.294  15.065   0.840
  168    HA   TYR  23           HA       TYR  23 -15.870  13.746  -1.763
  169    HB2  TYR  23           HB2      TYR  23 -15.949  16.744  -1.335
  170    HB3  TYR  23           HB3      TYR  23 -16.209  15.887  -2.855
  171    HD1  TYR  23           HD1      TYR  23 -18.123  13.889  -2.594
  172    HD2  TYR  23           HD2      TYR  23 -17.895  17.519  -0.264
  173    HE1  TYR  23           HE1      TYR  23 -20.495  13.604  -1.917
  174    HE2  TYR  23           HE2      TYR  23 -20.277  17.275   0.355
  175    HH   TYR  23           HH       TYR  23 -22.251  14.458  -0.731
  176    H    GLU  24           H        GLU  24 -14.252  14.411  -3.415
  177    HA   GLU  24           HA       GLU  24 -11.667  13.757  -2.297
  178    HB2  GLU  24           HB2      GLU  24 -12.787  14.350  -5.052
  179    HB3  GLU  24           HB3      GLU  24 -11.042  14.115  -4.809
  180    HG2  GLU  24           HG2      GLU  24 -11.257  11.906  -4.167
  181    HG3  GLU  24           HG3      GLU  24 -12.932  12.078  -3.636
  182    H    ALA  25           H        ALA  25  -9.881  14.989  -2.055
  183    HA   ALA  25           HA       ALA  25 -10.215  17.922  -2.167
  184    HB1  ALA  25           HB1      ALA  25  -9.094  17.883   0.132
  185    HB2  ALA  25           HB2      ALA  25 -10.744  17.222   0.102
  186    HB3  ALA  25           HB3      ALA  25  -9.336  16.150   0.164
  187    H    LYS  26           H        LYS  26  -8.775  18.231  -3.837
  188    HA   LYS  26           HA       LYS  26  -6.252  16.672  -3.937
  189    HB2  LYS  26           HB2      LYS  26  -7.725  17.127  -5.944
  190    HB3  LYS  26           HB3      LYS  26  -7.265  18.814  -5.814
  191    HG2  LYS  26           HG2      LYS  26  -4.789  17.868  -5.922
  192    HG3  LYS  26           HG3      LYS  26  -5.583  16.388  -6.504
  193    HD2  LYS  26           HD2      LYS  26  -4.847  17.738  -8.385
  194    HD3  LYS  26           HD3      LYS  26  -6.625  17.711  -8.345
  195    HE2  LYS  26           HE2      LYS  26  -6.728  19.952  -7.460
  196    HE3  LYS  26           HE3      LYS  26  -5.009  19.929  -7.026
  197    HZ1  LYS  26           HZ1      LYS  26  -5.384  21.220  -9.027
  198    HZ2  LYS  26           HZ2      LYS  26  -4.446  19.931  -9.308
  199    HZ3  LYS  26           HZ3      LYS  26  -6.029  19.917  -9.812
  200    H    ILE  27           H        ILE  27  -4.789  17.420  -2.416
  201    HA   ILE  27           HA       ILE  27  -4.678  20.080  -1.419
  202    HB   ILE  27           HB       ILE  27  -2.525  17.926  -1.422
  203   HG12  ILE  27          HG12      ILE  27  -4.437  18.541   0.841
  204   HG13  ILE  27          HG13      ILE  27  -4.760  17.275  -0.323
  205   HG21  ILE  27          HG21      ILE  27  -1.667  19.139   0.647
  206   HG22  ILE  27          HG22      ILE  27  -1.592  20.156  -0.780
  207   HG23  ILE  27          HG23      ILE  27  -2.884  20.385   0.410
  208   HD11  ILE  27          HD11      ILE  27  -2.114  17.159   1.119
  209   HD12  ILE  27          HD12      ILE  27  -3.608  16.790   1.991
  210   HD13  ILE  27          HD13      ILE  27  -3.107  15.863   0.492
  211    H    LEU  28           H        LEU  28  -3.586  21.887  -2.064
  212    HA   LEU  28           HA       LEU  28  -1.331  21.668  -3.993
  213    HB2  LEU  28           HB2      LEU  28  -3.345  22.508  -5.055
  214    HB3  LEU  28           HB3      LEU  28  -3.713  23.593  -3.741
  215    HG   LEU  28           HG       LEU  28  -1.242  24.012  -5.475
  216   HD11  LEU  28          HD11      LEU  28  -2.753  25.515  -6.796
  217   HD12  LEU  28          HD12      LEU  28  -3.243  23.811  -6.869
  218   HD13  LEU  28          HD13      LEU  28  -4.122  24.925  -5.803
  219   HD21  LEU  28          HD21      LEU  28  -1.705  26.454  -4.905
  220   HD22  LEU  28          HD22      LEU  28  -2.930  25.926  -3.734
  221   HD23  LEU  28          HD23      LEU  28  -1.235  25.501  -3.520
  222    H    LYS  29           H        LYS  29  -2.845  24.043  -1.767
  223    HA   LYS  29           HA       LYS  29  -0.098  24.887  -1.006
  224    HB2  LYS  29           HB2      LYS  29  -2.642  26.275  -1.400
  225    HB3  LYS  29           HB3      LYS  29  -2.073  26.541   0.257
  226    HG2  LYS  29           HG2      LYS  29  -0.141  27.648  -0.486
  227    HG3  LYS  29           HG3      LYS  29  -0.216  26.852  -2.066
  228    HD2  LYS  29           HD2      LYS  29  -0.725  29.199  -2.297
  229    HD3  LYS  29           HD3      LYS  29  -2.065  28.164  -2.817
  230    HE2  LYS  29           HE2      LYS  29  -3.240  28.533  -0.693
  231    HE3  LYS  29           HE3      LYS  29  -1.836  29.508  -0.117
  232    HZ1  LYS  29           HZ1      LYS  29  -2.286  31.005  -2.047
  233    HZ2  LYS  29           HZ2      LYS  29  -3.688  30.214  -2.326
  234    HZ3  LYS  29           HZ3      LYS  29  -3.459  31.068  -0.943
  235    H    ILE  30           H        ILE  30   0.641  24.469   1.077
  236    HA   ILE  30           HA       ILE  30  -1.435  23.491   2.932
  237    HB   ILE  30           HB       ILE  30  -0.098  21.875   3.958
  238   HG12  ILE  30          HG12      ILE  30   2.181  22.924   3.337
  239   HG13  ILE  30          HG13      ILE  30   2.028  21.176   3.471
  240   HG21  ILE  30          HG21      ILE  30  -0.207  20.153   2.231
  241   HG22  ILE  30          HG22      ILE  30  -1.577  21.293   2.113
  242   HG23  ILE  30          HG23      ILE  30  -0.259  21.383   0.949
  243   HD11  ILE  30          HD11      ILE  30   3.327  21.929   1.472
  244   HD12  ILE  30          HD12      ILE  30   1.937  20.879   1.118
  245   HD13  ILE  30          HD13      ILE  30   1.816  22.623   0.816
  246    H    TRP  31           H        TRP  31  -0.713  23.545   5.031
  247    HA   TRP  31           HA       TRP  31   0.780  26.075   5.712
  248    HB2  TRP  31           HB2      TRP  31  -1.236  27.098   5.365
  249    HB3  TRP  31           HB3      TRP  31  -2.161  25.682   5.761
  250    HD1  TRP  31           HD1      TRP  31  -2.226  25.149   8.581
  251    HE1  TRP  31           HE1      TRP  31  -2.798  26.800  10.429
  252    HE3  TRP  31           HE3      TRP  31  -1.083  29.510   6.156
  253    HZ2  TRP  31           HZ2      TRP  31  -2.631  29.596  10.886
  254    HZ3  TRP  31           HZ3      TRP  31  -1.384  31.667   7.343
  255    HH2  TRP  31           HH2      TRP  31  -2.193  31.725   9.697
  256    H    ASP  32           H        ASP  32   1.122  26.491   7.914
  257    HA   ASP  32           HA       ASP  32   1.186  24.204   9.678
  258    HB2  ASP  32           HB2      ASP  32   3.187  23.936   8.306
  259    HB3  ASP  32           HB3      ASP  32   3.650  25.614   8.628
  260    HA   PRO  33           HA       PRO  33   0.234  28.010  11.960
  261    HB2  PRO  33           HB2      PRO  33  -0.296  26.852  14.418
  262    HB3  PRO  33           HB3      PRO  33  -1.449  26.881  13.057
  263    HG2  PRO  33           HG2      PRO  33   0.538  24.695  13.784
  264    HG3  PRO  33           HG3      PRO  33  -1.217  24.499  13.454
  265    HD2  PRO  33           HD2      PRO  33   0.604  23.981  11.612
  266    HD3  PRO  33           HD3      PRO  33  -0.885  24.854  11.140
  267    H    SER  34           H        SER  34   2.883  25.871  12.335
  268    HA   SER  34           HA       SER  34   4.130  27.020  14.664
  269    HB2  SER  34           HB2      SER  34   5.558  25.735  12.317
  270    HB3  SER  34           HB3      SER  34   6.097  25.844  13.992
  271    HG   SER  34           HG       SER  34   4.097  24.223  12.825
  272    H    SER  35           H        SER  35   3.809  28.039  11.327
  273    HA   SER  35           HA       SER  35   5.369  30.512  11.953
  274    HB2  SER  35           HB2      SER  35   5.008  29.217   9.227
  275    HB3  SER  35           HB3      SER  35   6.006  30.625   9.626
  276    HG   SER  35           HG       SER  35   7.223  28.673   9.464
  277    H    LYS  36           H        LYS  36   2.310  29.172  11.147
  278    HA   LYS  36           HA       LYS  36   0.394  29.886  10.323
  279    HB2  LYS  36           HB2      LYS  36   1.243  32.340  11.878
  280    HB3  LYS  36           HB3      LYS  36  -0.258  32.379  10.979
  281    HG2  LYS  36           HG2      LYS  36  -1.358  30.854  12.255
  282    HG3  LYS  36           HG3      LYS  36   0.094  29.982  12.721
  283    HD2  LYS  36           HD2      LYS  36  -0.581  32.747  13.787
  284    HD3  LYS  36           HD3      LYS  36  -0.974  31.226  14.610
  285    HE2  LYS  36           HE2      LYS  36   1.422  30.587  14.621
  286    HE3  LYS  36           HE3      LYS  36   1.839  32.091  13.805
  287    HZ1  LYS  36           HZ1      LYS  36   2.177  32.257  16.196
  288    HZ2  LYS  36           HZ2      LYS  36   1.009  33.296  15.745
  289    HZ3  LYS  36           HZ3      LYS  36   0.614  31.899  16.503
  290    H    MET  37           H        MET  37   2.177  29.667   8.441
  291    HA   MET  37           HA       MET  37   1.221  31.499   6.405
  292    HB2  MET  37           HB2      MET  37   4.188  31.014   6.872
  293    HB3  MET  37           HB3      MET  37   3.498  31.808   5.446
  294    HG2  MET  37           HG2      MET  37   2.507  33.558   6.965
  295    HG3  MET  37           HG3      MET  37   3.354  32.815   8.310
  296    HE1  MET  37           HE1      MET  37   7.094  33.329   6.725
  297    HE2  MET  37           HE2      MET  37   6.110  32.176   7.708
  298    HE3  MET  37           HE3      MET  37   5.913  32.266   5.951
  299    H    TYR  38           H        TYR  38   2.229  30.462   4.228
  300    HA   TYR  38           HA       TYR  38   1.558  27.572   4.417
  301    HB2  TYR  38           HB2      TYR  38   0.397  27.909   2.290
  302    HB3  TYR  38           HB3      TYR  38  -0.188  28.974   3.552
  303    HD1  TYR  38           HD1      TYR  38   0.277  31.316   3.535
  304    HD2  TYR  38           HD2      TYR  38   1.808  28.825   0.408
  305    HE1  TYR  38           HE1      TYR  38   0.863  33.345   2.180
  306    HE2  TYR  38           HE2      TYR  38   2.212  30.804  -1.015
  307    HH   TYR  38           HH       TYR  38   1.651  34.159   0.279
  308    H    THR  39           H        THR  39   2.013  26.654   1.980
  309    HA   THR  39           HA       THR  39   4.460  27.469   0.739
  310    HB   THR  39           HB       THR  39   5.389  25.102   0.833
  311    HG1  THR  39           HG1      THR  39   4.803  23.822   2.578
  312   HG21  THR  39          HG21      THR  39   6.677  25.434   2.804
  313   HG22  THR  39          HG22      THR  39   6.296  27.058   2.204
  314   HG23  THR  39          HG23      THR  39   5.391  26.391   3.578
  315    H    SER  40           H        SER  40   4.594  26.158  -1.315
  316    HA   SER  40           HA       SER  40   2.347  24.386  -2.006
  317    HB2  SER  40           HB2      SER  40   1.742  26.920  -2.490
  318    HB3  SER  40           HB3      SER  40   2.762  26.617  -3.919
  319    HG   SER  40           HG       SER  40   0.607  26.047  -4.313
  320    H    ILE  41           H        ILE  41   2.694  23.744  -4.354
  321    HA   ILE  41           HA       ILE  41   5.359  24.173  -5.437
  322    HB   ILE  41           HB       ILE  41   5.444  21.665  -6.062
  323   HG12  ILE  41          HG12      ILE  41   4.518  20.095  -4.386
  324   HG13  ILE  41          HG13      ILE  41   3.509  21.378  -3.705
  325   HG21  ILE  41          HG21      ILE  41   6.960  22.778  -4.492
  326   HG22  ILE  41          HG22      ILE  41   5.865  22.410  -3.145
  327   HG23  ILE  41          HG23      ILE  41   6.659  21.098  -4.048
  328   HD11  ILE  41          HD11      ILE  41   2.649  19.614  -5.544
  329   HD12  ILE  41          HD12      ILE  41   2.012  21.267  -5.421
  330   HD13  ILE  41          HD13      ILE  41   3.263  20.887  -6.632
  331    HA   PRO  42           HA       PRO  42   2.770  24.545  -9.113
  332    HB2  PRO  42           HB2      PRO  42   4.666  24.815 -11.032
  333    HB3  PRO  42           HB3      PRO  42   4.520  26.017  -9.717
  334    HG2  PRO  42           HG2      PRO  42   6.347  23.568  -9.775
  335    HG3  PRO  42           HG3      PRO  42   6.832  25.275  -9.562
  336    HD2  PRO  42           HD2      PRO  42   6.366  23.711  -7.381
  337    HD3  PRO  42           HD3      PRO  42   5.682  25.384  -7.412
  338    H    ASN  43           H        ASN  43   4.427  21.698  -8.349
  339    HA   ASN  43           HA       ASN  43   4.060  20.145 -10.724
  340    HB2  ASN  43           HB2      ASN  43   5.437  19.443  -8.730
  341    HB3  ASN  43           HB3      ASN  43   3.943  19.209  -7.814
  342   HD21  ASN  43          HD21      ASN  43   5.539  18.161 -10.914
  343   HD22  ASN  43          HD22      ASN  43   4.880  16.544 -10.859
  344    H    ASP  44           H        ASP  44   1.773  21.632  -8.662
  345    HA   ASP  44           HA       ASP  44  -0.419  20.157  -9.985
  346    HB2  ASP  44           HB2      ASP  44  -0.297  19.375  -7.640
  347    HB3  ASP  44           HB3      ASP  44  -0.395  21.059  -7.083
  348    H    LYS  45           H        LYS  45  -2.454  21.541  -9.902
  349    HA   LYS  45           HA       LYS  45  -1.812  24.393 -10.471
  350    HB2  LYS  45           HB2      LYS  45  -1.796  22.880 -12.515
  351    HB3  LYS  45           HB3      LYS  45  -3.474  22.466 -12.173
  352    HG2  LYS  45           HG2      LYS  45  -4.062  24.913 -12.439
  353    HG3  LYS  45           HG3      LYS  45  -2.360  25.213 -12.845
  354    HD2  LYS  45           HD2      LYS  45  -2.574  23.650 -14.790
  355    HD3  LYS  45           HD3      LYS  45  -4.263  23.360 -14.354
  356    HE2  LYS  45           HE2      LYS  45  -4.269  24.939 -16.147
  357    HE3  LYS  45           HE3      LYS  45  -4.736  25.807 -14.679
  358    HZ1  LYS  45           HZ1      LYS  45  -2.011  25.823 -15.847
  359    HZ2  LYS  45           HZ2      LYS  45  -3.114  27.016 -16.048
  360    HZ3  LYS  45           HZ3      LYS  45  -2.522  26.718 -14.559
  361    HA   PRO  46           HA       PRO  46  -5.488  24.756  -7.923
  362    HB2  PRO  46           HB2      PRO  46  -6.231  27.369  -8.405
  363    HB3  PRO  46           HB3      PRO  46  -4.816  26.904  -7.410
  364    HG2  PRO  46           HG2      PRO  46  -4.874  27.733 -10.323
  365    HG3  PRO  46           HG3      PRO  46  -3.756  28.287  -9.034
  366    HD2  PRO  46           HD2      PRO  46  -3.086  26.341 -10.814
  367    HD3  PRO  46           HD3      PRO  46  -2.523  26.295  -9.118
  368    H    GLY  47           H        GLY  47  -7.757  25.813  -8.169
  369    HA2  GLY  47           HA2      GLY  47  -9.227  24.669 -10.389
  370    HA3  GLY  47           HA3      GLY  47  -9.833  25.576  -8.977
  371    H    GLY  48           H        GLY  48  -7.278  26.790 -11.117
  372    HA2  GLY  48           HA2      GLY  48  -8.972  28.481 -12.710
  373    HA3  GLY  48           HA3      GLY  48  -7.991  29.362 -11.510
  374    H    SER  49           H        SER  49  -7.541  29.716 -14.138
  375    HA   SER  49           HA       SER  49  -5.754  27.920 -15.351
  376    HB2  SER  49           HB2      SER  49  -6.232  30.837 -16.099
  377    HB3  SER  49           HB3      SER  49  -5.718  29.538 -17.186
  378    HG   SER  49           HG       SER  49  -7.966  29.963 -17.365
  379    H    SER  50           H        SER  50  -4.877  29.643 -12.823
  380    HA   SER  50           HA       SER  50  -2.243  30.640 -13.621
  381    HB2  SER  50           HB2      SER  50  -2.261  31.173 -11.102
  382    HB3  SER  50           HB3      SER  50  -3.446  32.016 -12.099
  383    HG   SER  50           HG       SER  50  -4.407  31.202 -10.206
  384    H    GLN  51           H        GLN  51  -1.017  29.769 -11.165
  385    HA   GLN  51           HA       GLN  51  -0.938  26.933 -11.091
  386    HB2  GLN  51           HB2      GLN  51   0.450  27.829 -13.258
  387    HB3  GLN  51           HB3      GLN  51   1.706  28.049 -12.036
  388    HG2  GLN  51           HG2      GLN  51   1.421  25.647 -11.373
  389    HG3  GLN  51           HG3      GLN  51   0.149  25.486 -12.593
  390   HE21  GLN  51          HE21      GLN  51   2.666  23.897 -12.439
  391   HE22  GLN  51          HE22      GLN  51   3.511  24.237 -13.928
  392    H    ALA  52           H        ALA  52   0.472  26.304  -9.427
  393    HA   ALA  52           HA       ALA  52   0.746  28.116  -7.204
  394    HB1  ALA  52           HB1      ALA  52   1.299  25.219  -7.769
  395    HB2  ALA  52           HB2      ALA  52   1.663  25.940  -6.189
  396    HB3  ALA  52           HB3      ALA  52  -0.010  25.915  -6.813
  397    H    THR  53           H        THR  53   2.457  28.553  -9.542
  398    HA   THR  53           HA       THR  53   4.399  29.451 -10.093
  399    HB   THR  53           HB       THR  53   4.573  30.140  -7.164
  400    HG1  THR  53           HG1      THR  53   2.536  30.628  -8.081
  401   HG21  THR  53          HG21      THR  53   6.582  30.786  -8.394
  402   HG22  THR  53          HG22      THR  53   5.611  31.479  -9.704
  403   HG23  THR  53          HG23      THR  53   5.612  32.231  -8.083
  404    H    LYS  54           H        LYS  54   5.553  28.059  -6.977
  405    HA   LYS  54           HA       LYS  54   7.746  26.610  -8.189
  406    HB2  LYS  54           HB2      LYS  54   8.307  29.242  -8.159
  407    HB3  LYS  54           HB3      LYS  54   8.671  28.896  -6.458
  408    HG2  LYS  54           HG2      LYS  54  10.238  27.076  -7.248
  409    HG3  LYS  54           HG3      LYS  54   9.858  27.507  -8.916
  410    HD2  LYS  54           HD2      LYS  54  11.132  29.377  -6.870
  411    HD3  LYS  54           HD3      LYS  54  12.020  28.439  -8.082
  412    HE2  LYS  54           HE2      LYS  54  10.763  29.610  -9.894
  413    HE3  LYS  54           HE3      LYS  54   9.921  30.580  -8.683
  414    HZ1  LYS  54           HZ1      LYS  54  12.848  30.595  -9.150
  415    HZ2  LYS  54           HZ2      LYS  54  11.802  31.762  -9.607
  416    HZ3  LYS  54           HZ3      LYS  54  12.073  31.499  -8.023
  417    H    GLU  55           H        GLU  55   9.368  26.250  -5.959
  418    HA   GLU  55           HA       GLU  55   7.610  25.148  -3.901
  419    HB2  GLU  55           HB2      GLU  55  10.610  25.711  -3.911
  420    HB3  GLU  55           HB3      GLU  55   9.711  24.928  -2.594
  421    HG2  GLU  55           HG2      GLU  55   9.125  23.054  -4.036
  422    HG3  GLU  55           HG3      GLU  55   9.881  23.831  -5.435
  423    H    ILE  56           H        ILE  56   6.316  26.751  -3.118
  424    HA   ILE  56           HA       ILE  56   7.222  29.465  -3.106
  425    HB   ILE  56           HB       ILE  56   4.724  28.559  -1.646
  426   HG12  ILE  56          HG12      ILE  56   5.125  29.199  -4.608
  427   HG13  ILE  56          HG13      ILE  56   4.620  27.665  -3.909
  428   HG21  ILE  56          HG21      ILE  56   5.605  31.188  -2.956
  429   HG22  ILE  56          HG22      ILE  56   4.028  30.922  -2.212
  430   HG23  ILE  56          HG23      ILE  56   5.457  30.878  -1.216
  431   HD11  ILE  56          HD11      ILE  56   2.687  28.625  -4.795
  432   HD12  ILE  56          HD12      ILE  56   2.531  28.880  -3.016
  433   HD13  ILE  56          HD13      ILE  56   3.011  30.217  -4.107
  434    H    LYS  57           H        LYS  57   8.098  30.685  -1.552
  435    HA   LYS  57           HA       LYS  57   9.196  29.406   0.842
  436    HB2  LYS  57           HB2      LYS  57   9.181  32.302  -0.149
  437    HB3  LYS  57           HB3      LYS  57  10.072  31.726   1.259
  438    HG2  LYS  57           HG2      LYS  57  10.579  30.959  -1.656
  439    HG3  LYS  57           HG3      LYS  57  11.554  32.038  -0.661
  440    HD2  LYS  57           HD2      LYS  57  12.097  30.129   0.859
  441    HD3  LYS  57           HD3      LYS  57  11.178  29.043  -0.211
  442    HE2  LYS  57           HE2      LYS  57  12.663  29.623  -2.098
  443    HE3  LYS  57           HE3      LYS  57  13.572  30.726  -1.065
  444    HZ1  LYS  57           HZ1      LYS  57  14.220  28.823   0.293
  445    HZ2  LYS  57           HZ2      LYS  57  13.391  27.798  -0.681
  446    HZ3  LYS  57           HZ3      LYS  57  14.683  28.613  -1.257
  447    HA   PRO  58           HA       PRO  58   5.502  30.382   3.031
  448    HB2  PRO  58           HB2      PRO  58   7.388  30.848   5.363
  449    HB3  PRO  58           HB3      PRO  58   5.843  29.908   5.352
  450    HG2  PRO  58           HG2      PRO  58   8.254  28.679   5.322
  451    HG3  PRO  58           HG3      PRO  58   6.938  28.102   4.257
  452    HD2  PRO  58           HD2      PRO  58   9.248  29.932   3.580
  453    HD3  PRO  58           HD3      PRO  58   8.595  28.530   2.662
  454    H    GLN  59           H        GLN  59   4.378  32.259   3.112
  455    HA   GLN  59           HA       GLN  59   5.812  34.774   3.730
  456    HB2  GLN  59           HB2      GLN  59   5.945  34.411   1.283
  457    HB3  GLN  59           HB3      GLN  59   4.191  34.237   1.209
  458    HG2  GLN  59           HG2      GLN  59   4.899  36.448   0.437
  459    HG3  GLN  59           HG3      GLN  59   3.903  36.599   1.870
  460   HE21  GLN  59          HE21      GLN  59   7.077  37.218   0.498
  461   HE22  GLN  59          HE22      GLN  59   7.757  37.988   1.913
  462    H    LYS  60           H        LYS  60   4.500  36.326   4.631
  463    HA   LYS  60           HA       LYS  60   2.100  35.669   5.946
  464    HB2  LYS  60           HB2      LYS  60   3.192  38.359   5.041
  465    HB3  LYS  60           HB3      LYS  60   1.733  38.207   6.002
  466    HG2  LYS  60           HG2      LYS  60   4.485  37.205   6.847
  467    HG3  LYS  60           HG3      LYS  60   3.779  38.727   7.355
  468    HD2  LYS  60           HD2      LYS  60   2.736  35.938   8.030
  469    HD3  LYS  60           HD3      LYS  60   3.608  37.013   9.103
  470    HE2  LYS  60           HE2      LYS  60   0.859  37.593   7.909
  471    HE3  LYS  60           HE3      LYS  60   1.149  36.938   9.515
  472    HZ1  LYS  60           HZ1      LYS  60   2.339  38.975  10.079
  473    HZ2  LYS  60           HZ2      LYS  60   2.044  39.609   8.598
  474    HZ3  LYS  60           HZ3      LYS  60   0.810  39.307   9.621
  475    H    LEU  61           H        LEU  61   0.294  35.090   5.161
  476    HA   LEU  61           HA       LEU  61  -0.493  35.643   2.437
  477    HB2  LEU  61           HB2      LEU  61  -1.433  33.596   2.570
  478    HB3  LEU  61           HB3      LEU  61  -0.368  33.432   3.943
  479    HG   LEU  61           HG       LEU  61  -3.360  33.940   4.132
  480   HD11  LEU  61          HD11      LEU  61  -3.465  31.742   4.719
  481   HD12  LEU  61          HD12      LEU  61  -2.444  31.756   3.299
  482   HD13  LEU  61          HD13      LEU  61  -1.703  31.542   4.907
  483   HD21  LEU  61          HD21      LEU  61  -2.987  33.521   6.566
  484   HD22  LEU  61          HD22      LEU  61  -1.225  33.648   6.302
  485   HD23  LEU  61          HD23      LEU  61  -2.282  35.048   6.049
  486    H    GLY  62           H        GLY  62  -3.210  35.344   2.462
  487    HA2  GLY  62           HA2      GLY  62  -5.173  36.064   3.561
  488    HA3  GLY  62           HA3      GLY  62  -4.329  37.439   4.275
  489    H    GLU  63           H        GLU  63  -4.220  36.405   0.826
  490    HA   GLU  63           HA       GLU  63  -5.151  39.068  -0.043
  491    HB2  GLU  63           HB2      GLU  63  -4.453  36.527  -1.574
  492    HB3  GLU  63           HB3      GLU  63  -5.039  38.021  -2.309
  493    HG2  GLU  63           HG2      GLU  63  -3.102  39.248  -1.264
  494    HG3  GLU  63           HG3      GLU  63  -2.459  37.689  -0.739
  495    H    ASP  64           H        ASP  64  -6.265  35.697   0.261
  496    HA   ASP  64           HA       ASP  64  -9.081  36.568   0.412
  497    HB2  ASP  64           HB2      ASP  64  -8.644  36.448  -2.050
  498    HB3  ASP  64           HB3      ASP  64  -8.148  34.767  -1.864
  499    H    GLU  65           H        GLU  65  -6.596  34.181   1.031
  500    HA   GLU  65           HA       GLU  65  -8.511  31.988   1.439
  501    HB2  GLU  65           HB2      GLU  65  -6.579  30.595   1.371
  502    HB3  GLU  65           HB3      GLU  65  -6.623  31.625  -0.030
  503    HG2  GLU  65           HG2      GLU  65  -4.875  32.316   2.378
  504    HG3  GLU  65           HG3      GLU  65  -4.379  31.185   1.145
  505    H    SER  66           H        SER  66  -9.067  33.784   3.435
  506    HA   SER  66           HA       SER  66  -7.494  33.584   5.784
  507    HB2  SER  66           HB2      SER  66 -10.522  33.603   5.613
  508    HB3  SER  66           HB3      SER  66  -9.510  34.091   6.986
  509    HG   SER  66           HG       SER  66 -10.241  35.904   5.729
  510    H    ILE  67           H        ILE  67  -6.949  31.836   6.996
  511    HA   ILE  67           HA       ILE  67  -8.529  29.342   6.863
  512    HB   ILE  67           HB       ILE  67  -6.756  28.877   8.769
  513   HG12  ILE  67          HG12      ILE  67  -5.420  30.991   8.498
  514   HG13  ILE  67          HG13      ILE  67  -4.557  29.502   8.407
  515   HG21  ILE  67          HG21      ILE  67  -5.376  27.664   7.409
  516   HG22  ILE  67          HG22      ILE  67  -7.077  27.349   7.096
  517   HG23  ILE  67          HG23      ILE  67  -6.133  28.395   5.944
  518   HD11  ILE  67          HD11      ILE  67  -5.413  30.846   5.873
  519   HD12  ILE  67          HD12      ILE  67  -3.947  31.281   6.769
  520   HD13  ILE  67          HD13      ILE  67  -4.152  29.622   6.150
  521    HA   PRO  68           HA       PRO  68 -10.624  30.931  10.644
  522    HB2  PRO  68           HB2      PRO  68 -11.660  28.086  10.630
  523    HB3  PRO  68           HB3      PRO  68 -12.561  29.610  10.931
  524    HG2  PRO  68           HG2      PRO  68 -12.767  28.340   8.543
  525    HG3  PRO  68           HG3      PRO  68 -12.599  30.129   8.597
  526    HD2  PRO  68           HD2      PRO  68 -10.463  28.051   8.083
  527    HD3  PRO  68           HD3      PRO  68 -10.783  29.573   7.201
  528    H    GLU  69           H        GLU  69  -9.995  30.656  12.845
  529    HA   GLU  69           HA       GLU  69  -7.674  29.366  13.529
  530    HB2  GLU  69           HB2      GLU  69  -9.957  30.068  15.383
  531    HB3  GLU  69           HB3      GLU  69  -8.277  29.711  15.850
  532    HG2  GLU  69           HG2      GLU  69  -7.500  31.643  14.486
  533    HG3  GLU  69           HG3      GLU  69  -9.177  32.051  14.124
  534    H    GLU  70           H        GLU  70 -10.852  27.976  13.324
  535    HA   GLU  70           HA       GLU  70 -10.705  25.693  14.942
  536    HB2  GLU  70           HB2      GLU  70 -12.064  26.114  12.232
  537    HB3  GLU  70           HB3      GLU  70 -12.390  24.771  13.336
  538    HG2  GLU  70           HG2      GLU  70 -13.098  26.395  15.094
  539    HG3  GLU  70           HG3      GLU  70 -12.866  27.718  13.949
  540    H    ILE  71           H        ILE  71  -9.419  26.206  11.631
  541    HA   ILE  71           HA       ILE  71  -8.503  23.370  11.564
  542    HB   ILE  71           HB       ILE  71  -8.045  23.808   9.172
  543   HG12  ILE  71          HG12      ILE  71  -9.572  26.421   9.555
  544   HG13  ILE  71          HG13      ILE  71  -7.862  26.290   9.142
  545   HG21  ILE  71          HG21      ILE  71 -10.152  22.790  10.094
  546   HG22  ILE  71          HG22      ILE  71 -10.915  24.393   9.937
  547   HG23  ILE  71          HG23      ILE  71 -10.320  23.538   8.500
  548   HD11  ILE  71          HD11      ILE  71  -9.107  26.714   7.100
  549   HD12  ILE  71          HD12      ILE  71  -8.564  25.023   7.045
  550   HD13  ILE  71          HD13      ILE  71 -10.253  25.446   7.448
  551    H    ILE  72           H        ILE  72  -7.325  26.648  11.886
  552    HA   ILE  72           HA       ILE  72  -4.890  26.637  10.731
  553    HB   ILE  72           HB       ILE  72  -6.325  27.968  12.936
  554   HG12  ILE  72          HG12      ILE  72  -4.858  28.625  10.383
  555   HG13  ILE  72          HG13      ILE  72  -6.597  28.567  10.742
  556   HG21  ILE  72          HG21      ILE  72  -4.694  29.453  13.717
  557   HG22  ILE  72          HG22      ILE  72  -4.294  27.824  14.185
  558   HG23  ILE  72          HG23      ILE  72  -3.392  28.595  12.829
  559   HD11  ILE  72          HD11      ILE  72  -6.272  30.506  12.215
  560   HD12  ILE  72          HD12      ILE  72  -4.571  30.556  11.630
  561   HD13  ILE  72          HD13      ILE  72  -5.906  30.756  10.479
  562    H    ASN  73           H        ASN  73  -5.615  25.564  13.934
  563    HA   ASN  73           HA       ASN  73  -2.990  25.134  14.932
  564    HB2  ASN  73           HB2      ASN  73  -4.228  24.116  16.779
  565    HB3  ASN  73           HB3      ASN  73  -5.012  25.610  16.272
  566   HD21  ASN  73          HD21      ASN  73  -7.201  25.491  15.347
  567   HD22  ASN  73          HD22      ASN  73  -8.010  23.972  15.117
  568    H    GLY  74           H        GLY  74  -4.569  23.437  12.599
  569    HA2  GLY  74           HA2      GLY  74  -3.401  20.745  13.478
  570    HA3  GLY  74           HA3      GLY  74  -5.073  20.893  12.940
  571    H    LYS  75           H        LYS  75  -2.193  22.460  11.580
  572    HA   LYS  75           HA       LYS  75  -1.358  22.627   9.511
  573    HB2  LYS  75           HB2      LYS  75  -2.484  19.889   8.957
  574    HB3  LYS  75           HB3      LYS  75  -1.385  20.775   7.916
  575    HG2  LYS  75           HG2      LYS  75  -0.574  20.102  10.737
  576    HG3  LYS  75           HG3      LYS  75  -0.569  18.864   9.445
  577    HD2  LYS  75           HD2      LYS  75   1.606  19.555   9.395
  578    HD3  LYS  75           HD3      LYS  75   0.860  20.488   8.101
  579    HE2  LYS  75           HE2      LYS  75   2.216  22.037   9.123
  580    HE3  LYS  75           HE3      LYS  75   0.625  22.385   9.809
  581    HZ1  LYS  75           HZ1      LYS  75   2.454  22.367  11.447
  582    HZ2  LYS  75           HZ2      LYS  75   1.323  21.225  11.829
  583    HZ3  LYS  75           HZ3      LYS  75   2.759  20.796  11.140
  584    H    CYS  76           H        CYS  76  -2.119  23.162   7.236
  585    HA   CYS  76           HA       CYS  76  -5.008  22.667   6.881
  586    HB2  CYS  76           HB2      CYS  76  -4.055  25.525   6.398
  587    HB3  CYS  76           HB3      CYS  76  -5.628  24.825   6.065
  588    HG   CYS  76           HG       CYS  76  -5.498  23.850   8.800
  589    H    PHE  77           H        PHE  77  -5.721  22.568   4.854
  590    HA   PHE  77           HA       PHE  77  -3.656  22.111   2.753
  591    HB2  PHE  77           HB2      PHE  77  -6.056  20.356   3.480
  592    HB3  PHE  77           HB3      PHE  77  -4.833  20.064   2.241
  593    HD1  PHE  77           HD1      PHE  77  -2.512  19.558   2.912
  594    HD2  PHE  77           HD2      PHE  77  -5.653  19.955   5.797
  595    HE1  PHE  77           HE1      PHE  77  -0.903  18.994   4.751
  596    HE2  PHE  77           HE2      PHE  77  -4.163  19.106   7.572
  597    HZ   PHE  77           HZ       PHE  77  -1.760  18.594   7.039
  598    H    PHE  78           H        PHE  78  -4.142  23.758   1.472
  599    HA   PHE  78           HA       PHE  78  -6.837  24.670   0.772
  600    HB2  PHE  78           HB2      PHE  78  -4.667  26.071   0.726
  601    HB3  PHE  78           HB3      PHE  78  -4.251  25.126  -0.689
  602    HD1  PHE  78           HD1      PHE  78  -6.848  27.389   0.760
  603    HD2  PHE  78           HD2      PHE  78  -5.152  25.723  -2.842
  604    HE1  PHE  78           HE1      PHE  78  -8.218  28.942  -0.609
  605    HE2  PHE  78           HE2      PHE  78  -6.485  27.313  -4.192
  606    HZ   PHE  78           HZ       PHE  78  -7.987  28.953  -3.080
  607    H    ILE  79           H        ILE  79  -8.050  23.289  -0.365
  608    HA   ILE  79           HA       ILE  79  -6.719  21.333  -2.171
  609    HB   ILE  79           HB       ILE  79  -8.593  19.787  -1.369
  610   HG12  ILE  79          HG12      ILE  79  -8.876  21.716   0.947
  611   HG13  ILE  79          HG13      ILE  79  -9.876  21.895  -0.480
  612   HG21  ILE  79          HG21      ILE  79  -6.170  20.590   0.174
  613   HG22  ILE  79          HG22      ILE  79  -7.404  19.848   1.136
  614   HG23  ILE  79          HG23      ILE  79  -6.769  18.985  -0.267
  615   HD11  ILE  79          HD11      ILE  79 -11.109  20.935   1.162
  616   HD12  ILE  79          HD12      ILE  79 -10.909  19.778  -0.169
  617   HD13  ILE  79          HD13      ILE  79  -9.978  19.559   1.364
  618    H    HIS  80           H        HIS  80  -7.849  20.762  -4.049
  619    HA   HIS  80           HA       HIS  80 -10.093  22.556  -4.861
  620    HB2  HIS  80           HB2      HIS  80  -8.240  22.040  -6.446
  621    HB3  HIS  80           HB3      HIS  80  -8.674  20.322  -6.318
  622    HD2  HIS  80           HD2      HIS  80 -11.004  23.389  -7.015
  623    HE1  HIS  80           HE1      HIS  80 -11.343  20.661 -10.274
  624    HE2  HIS  80           HE2      HIS  80 -12.150  22.875  -9.351
  625    H    TYR  81           H        TYR  81 -12.018  21.851  -4.258
  626    HA   TYR  81           HA       TYR  81 -12.456  19.099  -3.321
  627    HB2  TYR  81           HB2      TYR  81 -14.220  21.512  -3.420
  628    HB3  TYR  81           HB3      TYR  81 -14.925  19.921  -3.319
  629    HD1  TYR  81           HD1      TYR  81 -14.090  18.289  -1.445
  630    HD2  TYR  81           HD2      TYR  81 -13.508  22.568  -1.346
  631    HE1  TYR  81           HE1      TYR  81 -14.193  18.235   1.010
  632    HE2  TYR  81           HE2      TYR  81 -13.622  22.527   1.118
  633    HH   TYR  81           HH       TYR  81 -14.268  19.506   2.968
  634    H    GLN  82           H        GLN  82 -12.303  17.677  -4.959
  635    HA   GLN  82           HA       GLN  82 -13.090  18.420  -7.675
  636    HB2  GLN  82           HB2      GLN  82 -12.241  15.645  -6.794
  637    HB3  GLN  82           HB3      GLN  82 -12.154  16.391  -8.389
  638    HG2  GLN  82           HG2      GLN  82 -10.548  18.125  -7.199
  639    HG3  GLN  82           HG3      GLN  82 -10.431  16.888  -5.952
  640   HE21  GLN  82          HE21      GLN  82  -9.334  14.977  -6.385
  641   HE22  GLN  82          HE22      GLN  82  -8.345  14.741  -7.819
  642    H    GLY  83           H        GLY  83 -14.627  17.169  -8.946
  643    HA2  GLY  83           HA2      GLY  83 -16.733  16.234  -9.278
  644    HA3  GLY  83           HA3      GLY  83 -16.817  15.783  -7.563
  645    H    TRP  84           H        TRP  84 -15.875  19.015  -7.629
  646    HA   TRP  84           HA       TRP  84 -18.644  20.070  -7.757
  647    HB2  TRP  84           HB2      TRP  84 -16.754  20.504  -5.405
  648    HB3  TRP  84           HB3      TRP  84 -18.353  21.225  -5.651
  649    HD1  TRP  84           HD1      TRP  84 -16.829  18.363  -3.940
  650    HE1  TRP  84           HE1      TRP  84 -18.710  16.901  -2.974
  651    HE3  TRP  84           HE3      TRP  84 -20.725  20.202  -6.647
  652    HZ2  TRP  84           HZ2      TRP  84 -21.555  16.705  -3.238
  653    HZ3  TRP  84           HZ3      TRP  84 -23.056  19.367  -6.275
  654    HH2  TRP  84           HH2      TRP  84 -23.480  17.621  -4.552
  655    H    LYS  85           H        LYS  85 -18.462  22.588  -7.378
  656    HA   LYS  85           HA       LYS  85 -17.221  23.541  -9.771
  657    HB2  LYS  85           HB2      LYS  85 -18.197  25.112  -7.339
  658    HB3  LYS  85           HB3      LYS  85 -17.870  25.791  -8.917
  659    HG2  LYS  85           HG2      LYS  85 -20.122  23.840  -8.247
  660    HG3  LYS  85           HG3      LYS  85 -20.246  25.574  -8.510
  661    HD2  LYS  85           HD2      LYS  85 -20.952  24.816 -10.538
  662    HD3  LYS  85           HD3      LYS  85 -19.238  25.073 -10.885
  663    HE2  LYS  85           HE2      LYS  85 -18.850  22.615 -10.493
  664    HE3  LYS  85           HE3      LYS  85 -20.573  22.407 -10.158
  665    HZ1  LYS  85           HZ1      LYS  85 -20.040  21.827 -12.438
  666    HZ2  LYS  85           HZ2      LYS  85 -21.050  23.108 -12.420
  667    HZ3  LYS  85           HZ3      LYS  85 -19.452  23.312 -12.745
  668    H    SER  86           H        SER  86 -15.249  24.447 -10.148
  669    HA   SER  86           HA       SER  86 -13.142  24.181  -8.315
  670    HB2  SER  86           HB2      SER  86 -13.343  25.962 -10.780
  671    HB3  SER  86           HB3      SER  86 -11.847  25.418  -9.995
  672    HG   SER  86           HG       SER  86 -12.556  24.115 -11.820
  673    H    SER  87           H        SER  87 -15.539  26.678  -8.254
  674    HA   SER  87           HA       SER  87 -14.072  28.749  -6.982
  675    HB2  SER  87           HB2      SER  87 -16.901  27.858  -6.330
  676    HB3  SER  87           HB3      SER  87 -16.226  29.492  -6.244
  677    HG   SER  87           HG       SER  87 -16.147  29.561  -8.487
  678    H    TRP  88           H        TRP  88 -14.998  25.519  -5.890
  679    HA   TRP  88           HA       TRP  88 -14.611  26.035  -3.054
  680    HB2  TRP  88           HB2      TRP  88 -15.066  23.487  -4.646
  681    HB3  TRP  88           HB3      TRP  88 -14.848  23.575  -2.909
  682    HD1  TRP  88           HD1      TRP  88 -17.302  25.771  -4.972
  683    HE1  TRP  88           HE1      TRP  88 -19.594  25.506  -3.914
  684    HE3  TRP  88           HE3      TRP  88 -16.114  22.326  -1.407
  685    HZ2  TRP  88           HZ2      TRP  88 -20.867  23.732  -1.961
  686    HZ3  TRP  88           HZ3      TRP  88 -17.901  21.293  -0.005
  687    HH2  TRP  88           HH2      TRP  88 -20.266  22.004  -0.257
  688    H    ASP  89           H        ASP  89 -12.402  26.921  -4.338
  689    HA   ASP  89           HA       ASP  89 -10.237  24.928  -3.820
  690    HB2  ASP  89           HB2      ASP  89 -10.449  27.370  -5.501
  691    HB3  ASP  89           HB3      ASP  89  -9.042  27.330  -4.455
  692    H    GLU  90           H        GLU  90 -10.442  24.735  -1.566
  693    HA   GLU  90           HA       GLU  90 -10.363  27.202   0.103
  694    HB2  GLU  90           HB2      GLU  90 -12.719  26.443  -0.289
  695    HB3  GLU  90           HB3      GLU  90 -12.261  24.791   0.206
  696    HG2  GLU  90           HG2      GLU  90 -12.317  25.251   2.402
  697    HG3  GLU  90           HG3      GLU  90 -11.740  26.902   2.238
  698    H    TRP  91           H        TRP  91  -9.175  26.824   2.100
  699    HA   TRP  91           HA       TRP  91  -8.042  24.196   2.323
  700    HB2  TRP  91           HB2      TRP  91  -7.742  25.586   4.831
  701    HB3  TRP  91           HB3      TRP  91  -6.564  24.856   3.786
  702    HD1  TRP  91           HD1      TRP  91  -8.615  28.095   3.949
  703    HE1  TRP  91           HE1      TRP  91  -6.977  30.057   3.819
  704    HE3  TRP  91           HE3      TRP  91  -4.170  25.558   3.251
  705    HZ2  TRP  91           HZ2      TRP  91  -4.281  30.490   3.234
  706    HZ3  TRP  91           HZ3      TRP  91  -2.061  26.847   2.896
  707    HH2  TRP  91           HH2      TRP  91  -2.144  29.354   2.810
  708    H    VAL  92           H        VAL  92  -8.071  22.796   3.957
  709    HA   VAL  92           HA       VAL  92 -10.196  22.932   6.042
  710    HB   VAL  92           HB       VAL  92 -10.350  20.373   5.796
  711   HG11  VAL  92          HG11      VAL  92 -12.176  21.844   5.041
  712   HG12  VAL  92          HG12      VAL  92 -11.391  22.001   3.454
  713   HG13  VAL  92          HG13      VAL  92 -11.954  20.405   4.024
  714   HG21  VAL  92          HG21      VAL  92  -9.171  20.932   3.056
  715   HG22  VAL  92          HG22      VAL  92  -8.369  20.084   4.375
  716   HG23  VAL  92          HG23      VAL  92  -9.857  19.401   3.653
  717    H    GLY  93           H        GLY  93  -9.573  21.251   7.790
  718    HA2  GLY  93           HA2      GLY  93  -6.609  21.093   8.110
  719    HA3  GLY  93           HA3      GLY  93  -7.734  21.355   9.452
  720    H    TYR  94           H        TYR  94  -6.140  19.271   9.712
  721    HA   TYR  94           HA       TYR  94  -6.865  16.852   8.474
  722    HB2  TYR  94           HB2      TYR  94  -5.026  17.799  10.422
  723    HB3  TYR  94           HB3      TYR  94  -5.833  16.395  11.129
  724    HD1  TYR  94           HD1      TYR  94  -6.211  14.417   9.433
  725    HD2  TYR  94           HD2      TYR  94  -3.276  17.506   8.962
  726    HE1  TYR  94           HE1      TYR  94  -5.082  13.048   7.706
  727    HE2  TYR  94           HE2      TYR  94  -2.161  16.175   7.183
  728    HH   TYR  94           HH       TYR  94  -3.185  12.821   6.346
  729    H    ASP  95           H        ASP  95  -8.447  18.536  10.936
  730    HA   ASP  95           HA       ASP  95 -10.025  16.567  12.215
  731    HB2  ASP  95           HB2      ASP  95 -10.083  18.896  12.946
  732    HB3  ASP  95           HB3      ASP  95 -10.697  19.413  11.372
  733    H    ARG  96           H        ARG  96 -10.189  17.830   8.935
  734    HA   ARG  96           HA       ARG  96 -12.523  16.032   8.426
  735    HB2  ARG  96           HB2      ARG  96 -11.812  18.715   7.154
  736    HB3  ARG  96           HB3      ARG  96 -13.031  17.610   6.525
  737    HG2  ARG  96           HG2      ARG  96 -13.131  19.119   9.155
  738    HG3  ARG  96           HG3      ARG  96 -14.155  19.310   7.734
  739    HD2  ARG  96           HD2      ARG  96 -14.637  16.699   8.253
  740    HD3  ARG  96           HD3      ARG  96 -14.230  17.206   9.890
  741    HE   ARG  96           HE       ARG  96 -16.548  17.921   8.229
  742   HH11  ARG  96          HH11      ARG  96 -14.780  18.810  11.222
  743   HH12  ARG  96          HH12      ARG  96 -16.202  19.411  11.997
  744   HH21  ARG  96          HH21      ARG  96 -18.413  18.601   9.315
  745   HH22  ARG  96          HH22      ARG  96 -18.305  19.355  10.870
  746    H    ILE  97           H        ILE  97  -9.277  17.076   7.171
  747    HA   ILE  97           HA       ILE  97  -9.834  15.339   4.876
  748    HB   ILE  97           HB       ILE  97  -9.131  17.665   4.701
  749   HG12  ILE  97          HG12      ILE  97  -7.340  15.660   3.348
  750   HG13  ILE  97          HG13      ILE  97  -8.870  16.256   2.711
  751   HG21  ILE  97          HG21      ILE  97  -6.235  16.950   5.107
  752   HG22  ILE  97          HG22      ILE  97  -7.150  18.491   5.110
  753   HG23  ILE  97          HG23      ILE  97  -7.220  17.404   6.522
  754   HD11  ILE  97          HD11      ILE  97  -6.282  17.786   2.981
  755   HD12  ILE  97          HD12      ILE  97  -7.249  17.469   1.534
  756   HD13  ILE  97          HD13      ILE  97  -7.859  18.562   2.773
  757    H    ARG  98           H        ARG  98  -8.490  13.747   4.097
  758    HA   ARG  98           HA       ARG  98  -6.139  12.851   5.675
  759    HB2  ARG  98           HB2      ARG  98  -8.342  11.032   4.809
  760    HB3  ARG  98           HB3      ARG  98  -6.725  10.566   5.422
  761    HG2  ARG  98           HG2      ARG  98  -7.306  11.557   7.637
  762    HG3  ARG  98           HG3      ARG  98  -8.939  11.985   7.008
  763    HD2  ARG  98           HD2      ARG  98  -9.242   9.665   6.294
  764    HD3  ARG  98           HD3      ARG  98  -7.665   9.232   6.999
  765    HE   ARG  98           HE       ARG  98  -9.020  10.240   9.143
  766   HH11  ARG  98          HH11      ARG  98  -9.947   7.813   6.687
  767   HH12  ARG  98          HH12      ARG  98 -10.956   6.912   7.766
  768   HH21  ARG  98          HH21      ARG  98 -10.385   9.037  10.565
  769   HH22  ARG  98          HH22      ARG  98 -11.196   7.619  10.014
  770    H    ALA  99           H        ALA  99  -4.669  11.667   4.252
  771    HA   ALA  99           HA       ALA  99  -4.592  12.377   1.497
  772    HB1  ALA  99           HB1      ALA  99  -2.719  11.957   3.033
  773    HB2  ALA  99           HB2      ALA  99  -3.107  10.223   2.954
  774    HB3  ALA  99           HB3      ALA  99  -2.555  11.153   1.473
  775    H    TYR 100           H        TYR 100  -4.023  10.693  -0.236
  776    HA   TYR 100           HA       TYR 100  -6.470   9.194  -0.563
  777    HB2  TYR 100           HB2      TYR 100  -4.926  10.026  -2.506
  778    HB3  TYR 100           HB3      TYR 100  -4.006   8.563  -2.183
  779    HD1  TYR 100           HD1      TYR 100  -7.322   9.898  -3.245
  780    HD2  TYR 100           HD2      TYR 100  -4.980   6.323  -2.753
  781    HE1  TYR 100           HE1      TYR 100  -8.907   8.672  -4.696
  782    HE2  TYR 100           HE2      TYR 100  -6.551   5.084  -4.195
  783    HH   TYR 100           HH       TYR 100  -8.465   5.203  -5.521
  784    H    ASN 101           H        ASN 101  -7.078   7.374   0.079
  785    HA   ASN 101           HA       ASN 101  -5.073   5.308   0.820
  786    HB2  ASN 101           HB2      ASN 101  -6.019   7.218   2.621
  787    HB3  ASN 101           HB3      ASN 101  -7.144   5.908   2.899
  788   HD21  ASN 101          HD21      ASN 101  -3.900   7.012   2.921
  789   HD22  ASN 101          HD22      ASN 101  -3.277   5.796   4.032
  790    H    GLU 102           H        GLU 102  -5.815   3.271   1.122
  791    HA   GLU 102           HA       GLU 102  -8.233   2.324  -0.052
  792    HB2  GLU 102           HB2      GLU 102  -6.392   1.318   2.188
  793    HB3  GLU 102           HB3      GLU 102  -7.706   0.332   1.527
  794    HG2  GLU 102           HG2      GLU 102  -6.681   0.440  -0.743
  795    HG3  GLU 102           HG3      GLU 102  -5.366   1.424  -0.112
  796    H    GLU 103           H        GLU 103  -7.326   3.333   3.235
  797    HA   GLU 103           HA       GLU 103  -9.704   2.701   4.623
  798    HB2  GLU 103           HB2      GLU 103  -7.571   4.833   4.904
  799    HB3  GLU 103           HB3      GLU 103  -8.808   4.494   6.158
  800    HG2  GLU 103           HG2      GLU 103  -7.919   2.056   5.910
  801    HG3  GLU 103           HG3      GLU 103  -6.472   2.857   5.204
  802    H    ASN 104           H        ASN 104  -9.059   5.267   2.282
  803    HA   ASN 104           HA       ASN 104 -11.264   6.964   3.375
  804    HB2  ASN 104           HB2      ASN 104  -8.966   7.765   1.682
  805    HB3  ASN 104           HB3      ASN 104 -10.310   8.787   2.270
  806   HD21  ASN 104          HD21      ASN 104  -7.430   9.101   2.904
  807   HD22  ASN 104          HD22      ASN 104  -7.235   8.772   4.614
  808    H    ILE 105           H        ILE 105 -10.308   4.860   0.873
  809    HA   ILE 105           HA       ILE 105 -12.594   5.439  -0.836
  810    HB   ILE 105           HB       ILE 105 -10.201   3.632  -0.659
  811   HG12  ILE 105          HG12      ILE 105  -9.476   4.781  -2.556
  812   HG13  ILE 105          HG13      ILE 105 -11.123   5.232  -3.051
  813   HG21  ILE 105          HG21      ILE 105 -10.931   2.586  -2.793
  814   HG22  ILE 105          HG22      ILE 105 -11.870   2.132  -1.354
  815   HG23  ILE 105          HG23      ILE 105 -12.551   3.311  -2.507
  816   HD11  ILE 105          HD11      ILE 105  -9.442   6.626  -0.922
  817   HD12  ILE 105          HD12      ILE 105  -9.773   7.203  -2.534
  818   HD13  ILE 105          HD13      ILE 105 -11.102   7.101  -1.371
  819    H    ALA 106           H        ALA 106 -11.640   3.340   1.866
  820    HA   ALA 106           HA       ALA 106 -13.924   1.602   1.769
  821    HB1  ALA 106           HB1      ALA 106 -11.937   2.365   4.007
  822    HB2  ALA 106           HB2      ALA 106 -13.135   1.055   4.112
  823    HB3  ALA 106           HB3      ALA 106 -11.810   0.996   2.925
  824    H    MET 107           H        MET 107 -13.050   4.610   3.557
  825    HA   MET 107           HA       MET 107 -15.713   4.943   4.576
  826    HB2  MET 107           HB2      MET 107 -14.999   6.862   5.601
  827    HB3  MET 107           HB3      MET 107 -13.446   6.054   5.301
  828    HG2  MET 107           HG2      MET 107 -13.476   7.476   3.134
  829    HG3  MET 107           HG3      MET 107 -14.705   8.423   3.957
  830    HE1  MET 107           HE1      MET 107 -12.552   9.618   2.750
  831    HE2  MET 107           HE2      MET 107 -13.456  10.557   3.982
  832    HE3  MET 107           HE3      MET 107 -11.677  10.672   3.934
  833    H    LYS 108           H        LYS 108 -14.147   6.184   1.496
  834    HA   LYS 108           HA       LYS 108 -16.234   7.671   0.561
  835    HB2  LYS 108           HB2      LYS 108 -14.160   7.319  -0.833
  836    HB3  LYS 108           HB3      LYS 108 -14.649   5.676  -1.113
  837    HG2  LYS 108           HG2      LYS 108 -15.115   6.824  -3.091
  838    HG3  LYS 108           HG3      LYS 108 -16.617   6.346  -2.370
  839    HD2  LYS 108           HD2      LYS 108 -17.256   8.444  -2.967
  840    HD3  LYS 108           HD3      LYS 108 -16.601   8.877  -1.406
  841    HE2  LYS 108           HE2      LYS 108 -15.628  10.438  -2.869
  842    HE3  LYS 108           HE3      LYS 108 -14.329   9.241  -2.675
  843    HZ1  LYS 108           HZ1      LYS 108 -16.195   9.400  -4.981
  844    HZ2  LYS 108           HZ2      LYS 108 -14.650   9.927  -4.996
  845    HZ3  LYS 108           HZ3      LYS 108 -14.965   8.324  -4.831
  846    H    LYS 109           H        LYS 109 -15.819   4.124  -0.067
  847    HA   LYS 109           HA       LYS 109 -18.314   3.910  -1.382
  848    HB2  LYS 109           HB2      LYS 109 -17.864   1.581  -1.561
  849    HB3  LYS 109           HB3      LYS 109 -16.321   2.436  -1.678
  850    HG2  LYS 109           HG2      LYS 109 -15.892   1.832   0.702
  851    HG3  LYS 109           HG3      LYS 109 -17.332   0.807   0.646
  852    HD2  LYS 109           HD2      LYS 109 -16.387  -0.394  -1.338
  853    HD3  LYS 109           HD3      LYS 109 -14.943   0.661  -1.291
  854    HE2  LYS 109           HE2      LYS 109 -14.366  -0.096   0.883
  855    HE3  LYS 109           HE3      LYS 109 -15.887  -1.014   1.033
  856    HZ1  LYS 109           HZ1      LYS 109 -15.089  -2.478  -0.741
  857    HZ2  LYS 109           HZ2      LYS 109 -13.690  -1.638  -0.873
  858    HZ3  LYS 109           HZ3      LYS 109 -14.023  -2.472   0.491
  859    H    ARG 110           H        ARG 110 -17.487   3.310   2.054
  860    HA   ARG 110           HA       ARG 110 -20.025   2.229   2.783
  861    HB2  ARG 110           HB2      ARG 110 -18.023   2.073   4.160
  862    HB3  ARG 110           HB3      ARG 110 -17.960   3.819   4.382
  863    HG2  ARG 110           HG2      ARG 110 -20.404   2.243   5.267
  864    HG3  ARG 110           HG3      ARG 110 -18.933   2.234   6.240
  865    HD2  ARG 110           HD2      ARG 110 -18.983   4.734   6.326
  866    HD3  ARG 110           HD3      ARG 110 -20.505   4.718   5.453
  867    HE   ARG 110           HE       ARG 110 -21.657   3.975   7.280
  868   HH11  ARG 110          HH11      ARG 110 -18.185   3.919   8.069
  869   HH12  ARG 110          HH12      ARG 110 -18.435   3.708   9.765
  870   HH21  ARG 110          HH21      ARG 110 -21.984   3.672   9.524
  871   HH22  ARG 110          HH22      ARG 110 -20.645   3.547  10.603
  872    H    LEU 111           H        LEU 111 -18.840   5.663   2.664
  873    HA   LEU 111           HA       LEU 111 -21.344   6.737   3.594
  874    HB2  LEU 111           HB2      LEU 111 -19.256   7.998   1.795
  875    HB3  LEU 111           HB3      LEU 111 -20.572   8.814   2.643
  876    HG   LEU 111           HG       LEU 111 -18.548   7.341   4.303
  877   HD11  LEU 111          HD11      LEU 111 -17.435   8.847   2.534
  878   HD12  LEU 111          HD12      LEU 111 -18.160  10.223   3.371
  879   HD13  LEU 111          HD13      LEU 111 -16.985   9.172   4.191
  880   HD21  LEU 111          HD21      LEU 111 -20.641   8.173   5.295
  881   HD22  LEU 111          HD22      LEU 111 -19.233   9.027   5.944
  882   HD23  LEU 111          HD23      LEU 111 -20.280   9.809   4.731
  883    H    ALA 112           H        ALA 112 -19.960   6.170   0.340
  884    HA   ALA 112           HA       ALA 112 -22.053   7.293  -1.139
  885    HB1  ALA 112           HB1      ALA 112 -20.305   4.943  -1.945
  886    HB2  ALA 112           HB2      ALA 112 -21.228   5.991  -3.032
  887    HB3  ALA 112           HB3      ALA 112 -19.889   6.677  -2.096
  888    H    ASN 113           H        ASN 113 -22.276   4.396   0.770
  889    HA   ASN 113           HA       ASN 113 -24.631   3.364  -0.670
  890    HB2  ASN 113           HB2      ASN 113 -23.287   2.671   1.959
  891    HB3  ASN 113           HB3      ASN 113 -24.924   2.141   1.626
  892   HD21  ASN 113          HD21      ASN 113 -21.639   2.141   0.072
  893   HD22  ASN 113          HD22      ASN 113 -21.862   0.575  -0.682
  894    H    LEU 114           H        LEU 114 -23.955   5.800   1.762
  895    HA   LEU 114           HA       LEU 114 -26.714   6.118   2.646
  896    HB2  LEU 114           HB2      LEU 114 -24.772   6.532   4.106
  897    HB3  LEU 114           HB3      LEU 114 -24.292   7.893   3.100
  898    HG   LEU 114           HG       LEU 114 -27.111   7.924   4.140
  899   HD11  LEU 114          HD11      LEU 114 -24.656   8.493   5.857
  900   HD12  LEU 114          HD12      LEU 114 -26.346   8.872   6.302
  901   HD13  LEU 114          HD13      LEU 114 -25.835   7.189   6.103
  902   HD21  LEU 114          HD21      LEU 114 -24.949  10.077   3.908
  903   HD22  LEU 114          HD22      LEU 114 -26.226   9.795   2.714
  904   HD23  LEU 114          HD23      LEU 114 -26.647  10.344   4.340
  905    H    GLU 115           H        GLU 115 -24.490   7.544   0.287
  906    HA   GLU 115           HA       GLU 115 -25.872   9.841  -0.467
  907    HB2  GLU 115           HB2      GLU 115 -23.599   9.164  -1.237
  908    HB3  GLU 115           HB3      GLU 115 -24.330   7.966  -2.308
  909    HG2  GLU 115           HG2      GLU 115 -25.530   9.781  -3.515
  910    HG3  GLU 115           HG3      GLU 115 -24.820  10.970  -2.422
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   3.191  -0.188  -0.079
    2    H2   MET   1           H2       MET   1   2.054   0.935  -0.462
    3    H3   MET   1           H3       MET   1   3.263   1.327   0.566
    4    HA   MET   1           HA       MET   1   1.146  -0.623   1.059
    5    HB2  MET   1           HB2      MET   1   1.953  -0.899   3.295
    6    HB3  MET   1           HB3      MET   1   3.209  -1.327   2.158
    7    HG2  MET   1           HG2      MET   1   3.071   1.298   3.710
    8    HG3  MET   1           HG3      MET   1   4.001  -0.120   4.173
    9    HE1  MET   1           HE1      MET   1   6.900   2.263   3.312
   10    HE2  MET   1           HE2      MET   1   5.399   2.542   4.230
   11    HE3  MET   1           HE3      MET   1   6.298   1.025   4.436
   12    H    VAL   2           H        VAL   2  -0.465   0.008   2.617
   13    HA   VAL   2           HA       VAL   2  -1.577   2.481   2.025
   14    HB   VAL   2           HB       VAL   2  -2.138   0.683   4.419
   15   HG11  VAL   2          HG11      VAL   2  -3.983   2.660   3.010
   16   HG12  VAL   2          HG12      VAL   2  -4.436   1.572   4.329
   17   HG13  VAL   2          HG13      VAL   2  -3.285   2.871   4.632
   18   HG21  VAL   2          HG21      VAL   2  -3.912  -0.308   2.961
   19   HG22  VAL   2          HG22      VAL   2  -3.295   0.632   1.590
   20   HG23  VAL   2          HG23      VAL   2  -2.297  -0.634   2.348
   21    H    ASP   3           H        ASP   3   0.497   1.609   4.805
   22    HA   ASP   3           HA       ASP   3   0.122   3.893   6.393
   23    HB2  ASP   3           HB2      ASP   3   1.297   1.890   7.139
   24    HB3  ASP   3           HB3      ASP   3   2.586   2.168   5.973
   25    H    LEU   4           H        LEU   4   2.149   3.499   3.500
   26    HA   LEU   4           HA       LEU   4   3.577   6.025   3.834
   27    HB2  LEU   4           HB2      LEU   4   4.406   3.949   2.627
   28    HB3  LEU   4           HB3      LEU   4   3.237   4.253   1.362
   29    HG   LEU   4           HG       LEU   4   5.503   4.897   0.775
   30   HD11  LEU   4          HD11      LEU   4   3.908   7.468   0.928
   31   HD12  LEU   4          HD12      LEU   4   5.119   6.985  -0.261
   32   HD13  LEU   4          HD13      LEU   4   3.559   6.151  -0.214
   33   HD21  LEU   4          HD21      LEU   4   5.376   7.047   2.922
   34   HD22  LEU   4          HD22      LEU   4   6.316   5.537   3.020
   35   HD23  LEU   4          HD23      LEU   4   6.695   6.750   1.779
   36    H    GLU   5           H        GLU   5   0.900   4.737   1.827
   37    HA   GLU   5           HA       GLU   5   0.371   7.079   0.342
   38    HB2  GLU   5           HB2      GLU   5  -1.463   4.789   1.161
   39    HB3  GLU   5           HB3      GLU   5  -1.844   5.979  -0.074
   40    HG2  GLU   5           HG2      GLU   5   0.551   4.097  -0.242
   41    HG3  GLU   5           HG3      GLU   5  -1.027   3.763  -0.925
   42    H    GLN   6           H        GLN   6  -0.700   6.149   3.566
   43    HA   GLN   6           HA       GLN   6  -2.719   7.951   4.038
   44    HB2  GLN   6           HB2      GLN   6  -1.504   5.988   5.467
   45    HB3  GLN   6           HB3      GLN   6  -0.755   7.385   6.245
   46    HG2  GLN   6           HG2      GLN   6  -3.113   8.288   6.583
   47    HG3  GLN   6           HG3      GLN   6  -3.709   6.743   5.950
   48   HE21  GLN   6          HE21      GLN   6  -3.539   8.244   8.800
   49   HE22  GLN   6          HE22      GLN   6  -3.128   6.918   9.859
   50    H    GLU   7           H        GLU   7   0.724   8.765   3.760
   51    HA   GLU   7           HA       GLU   7   0.624  11.139   5.421
   52    HB2  GLU   7           HB2      GLU   7   2.551  10.248   3.216
   53    HB3  GLU   7           HB3      GLU   7   2.715  11.720   4.167
   54    HG2  GLU   7           HG2      GLU   7   2.666  10.306   6.281
   55    HG3  GLU   7           HG3      GLU   7   2.817   8.879   5.255
   56    H    PHE   8           H        PHE   8   0.129  13.189   4.815
   57    HA   PHE   8           HA       PHE   8  -1.258  13.832   2.362
   58    HB2  PHE   8           HB2      PHE   8  -0.900  16.122   2.944
   59    HB3  PHE   8           HB3      PHE   8  -1.466  15.278   4.375
   60    HD1  PHE   8           HD1      PHE   8   0.253  14.724   6.244
   61    HD2  PHE   8           HD2      PHE   8   1.312  17.076   2.783
   62    HE1  PHE   8           HE1      PHE   8   2.205  15.643   7.463
   63    HE2  PHE   8           HE2      PHE   8   3.277  17.984   4.011
   64    HZ   PHE   8           HZ       PHE   8   3.726  17.268   6.345
   65    H    ALA   9           H        ALA   9  -0.460  14.631   0.497
   66    HA   ALA   9           HA       ALA   9   2.528  14.929   0.316
   67    HB1  ALA   9           HB1      ALA   9   1.886  12.724  -0.299
   68    HB2  ALA   9           HB2      ALA   9   0.519  13.326  -1.245
   69    HB3  ALA   9           HB3      ALA   9   2.201  13.608  -1.828
   70    H    LEU  10           H        LEU  10   3.311  16.170  -1.376
   71    HA   LEU  10           HA       LEU  10   1.960  18.647  -1.690
   72    HB2  LEU  10           HB2      LEU  10   4.510  17.380  -2.714
   73    HB3  LEU  10           HB3      LEU  10   3.970  18.840  -3.522
   74    HG   LEU  10           HG       LEU  10   5.606  19.158  -1.619
   75   HD11  LEU  10          HD11      LEU  10   4.309  20.947  -2.608
   76   HD12  LEU  10          HD12      LEU  10   2.924  20.604  -1.570
   77   HD13  LEU  10          HD13      LEU  10   4.450  21.217  -0.869
   78   HD21  LEU  10          HD21      LEU  10   4.536  17.519  -0.075
   79   HD22  LEU  10          HD22      LEU  10   4.768  19.119   0.679
   80   HD23  LEU  10          HD23      LEU  10   3.155  18.598   0.118
   81    H    GLY  11           H        GLY  11   1.747  15.849  -3.424
   82    HA2  GLY  11           HA2      GLY  11  -0.273  17.075  -5.122
   83    HA3  GLY  11           HA3      GLY  11   0.992  16.157  -6.001
   84    H    GLY  12           H        GLY  12  -0.295  15.420  -2.660
   85    HA2  GLY  12           HA2      GLY  12  -1.235  12.805  -3.611
   86    HA3  GLY  12           HA3      GLY  12  -1.393  13.496  -1.978
   87    H    ARG  13           H        ARG  13  -3.437  12.375  -3.162
   88    HA   ARG  13           HA       ARG  13  -5.307  14.570  -3.930
   89    HB2  ARG  13           HB2      ARG  13  -5.485  11.548  -4.199
   90    HB3  ARG  13           HB3      ARG  13  -6.938  12.559  -4.081
   91    HG2  ARG  13           HG2      ARG  13  -6.425  13.683  -6.118
   92    HG3  ARG  13           HG3      ARG  13  -4.811  12.917  -6.230
   93    HD2  ARG  13           HD2      ARG  13  -5.822  10.688  -6.314
   94    HD3  ARG  13           HD3      ARG  13  -7.430  11.379  -6.083
   95    HE   ARG  13           HE       ARG  13  -6.126  12.492  -8.413
   96   HH11  ARG  13          HH11      ARG  13  -7.855   9.593  -7.307
   97   HH12  ARG  13          HH12      ARG  13  -8.421   9.155  -8.885
   98   HH21  ARG  13          HH21      ARG  13  -6.871  11.909 -10.512
   99   HH22  ARG  13          HH22      ARG  13  -7.830  10.497 -10.742
  100    H    CYS  14           H        CYS  14  -7.192  14.343  -2.477
  101    HA   CYS  14           HA       CYS  14  -6.654  12.939   0.068
  102    HB2  CYS  14           HB2      CYS  14  -6.731  15.909  -0.362
  103    HB3  CYS  14           HB3      CYS  14  -7.703  15.267   0.966
  104    HG   CYS  14           HG       CYS  14  -4.589  14.517   0.349
  105    H    LEU  15           H        LEU  15  -8.570  13.238   1.464
  106    HA   LEU  15           HA       LEU  15 -11.146  13.595   0.055
  107    HB2  LEU  15           HB2      LEU  15 -10.335  11.121   1.662
  108    HB3  LEU  15           HB3      LEU  15 -12.004  11.524   1.223
  109    HG   LEU  15           HG       LEU  15  -9.752  11.087  -0.778
  110   HD11  LEU  15          HD11      LEU  15  -9.941   9.023   0.118
  111   HD12  LEU  15          HD12      LEU  15 -11.707   9.073   0.272
  112   HD13  LEU  15          HD13      LEU  15 -10.930   8.964  -1.328
  113   HD21  LEU  15          HD21      LEU  15 -12.523  12.037  -1.096
  114   HD22  LEU  15          HD22      LEU  15 -11.133  12.096  -2.184
  115   HD23  LEU  15          HD23      LEU  15 -12.132  10.654  -2.139
  116    H    ALA  16           H        ALA  16 -12.419  14.808   1.366
  117    HA   ALA  16           HA       ALA  16 -11.623  15.086   4.203
  118    HB1  ALA  16           HB1      ALA  16 -12.370  17.622   3.719
  119    HB2  ALA  16           HB2      ALA  16 -10.702  17.081   3.610
  120    HB3  ALA  16           HB3      ALA  16 -11.677  17.226   2.126
  121    H    PHE  17           H        PHE  17 -13.126  15.227   5.626
  122    HA   PHE  17           HA       PHE  17 -15.770  14.268   4.840
  123    HB2  PHE  17           HB2      PHE  17 -14.060  14.245   7.261
  124    HB3  PHE  17           HB3      PHE  17 -15.772  14.463   7.578
  125    HD1  PHE  17           HD1      PHE  17 -17.392  12.826   6.191
  126    HD2  PHE  17           HD2      PHE  17 -13.250  12.040   7.121
  127    HE1  PHE  17           HE1      PHE  17 -17.846  10.461   6.142
  128    HE2  PHE  17           HE2      PHE  17 -13.747   9.603   7.134
  129    HZ   PHE  17           HZ       PHE  17 -16.035   8.796   6.629
  130    H    HIS  18           H        HIS  18 -17.705  15.055   5.471
  131    HA   HIS  18           HA       HIS  18 -17.815  17.988   6.099
  132    HB2  HIS  18           HB2      HIS  18 -19.102  16.507   3.791
  133    HB3  HIS  18           HB3      HIS  18 -19.844  17.945   4.476
  134    HD2  HIS  18           HD2      HIS  18 -16.593  16.892   2.626
  135    HE1  HIS  18           HE1      HIS  18 -17.064  21.099   2.142
  136    HE2  HIS  18           HE2      HIS  18 -15.688  19.072   1.458
  137    H    GLY  19           H        GLY  19 -19.635  14.860   5.961
  138    HA2  GLY  19           HA2      GLY  19 -20.488  14.739   8.518
  139    HA3  GLY  19           HA3      GLY  19 -21.666  15.866   7.840
  140    HA   PRO  20           HA       PRO  20 -23.877  12.415   6.056
  141    HB2  PRO  20           HB2      PRO  20 -24.505  13.224   3.486
  142    HB3  PRO  20           HB3      PRO  20 -25.364  13.791   4.965
  143    HG2  PRO  20           HG2      PRO  20 -23.169  15.175   3.410
  144    HG3  PRO  20           HG3      PRO  20 -24.661  15.888   4.102
  145    HD2  PRO  20           HD2      PRO  20 -22.251  16.093   5.344
  146    HD3  PRO  20           HD3      PRO  20 -23.761  15.888   6.285
  147    H    LEU  21           H        LEU  21 -21.236  13.849   4.120
  148    HA   LEU  21           HA       LEU  21 -20.253  11.206   3.465
  149    HB2  LEU  21           HB2      LEU  21 -21.821  12.605   1.527
  150    HB3  LEU  21           HB3      LEU  21 -20.166  12.923   1.054
  151    HG   LEU  21           HG       LEU  21 -20.111  10.216   1.695
  152   HD11  LEU  21          HD11      LEU  21 -22.037   9.206   0.464
  153   HD12  LEU  21          HD12      LEU  21 -22.534  10.098   1.895
  154   HD13  LEU  21          HD13      LEU  21 -22.716  10.834   0.265
  155   HD21  LEU  21          HD21      LEU  21 -20.012   9.692  -0.689
  156   HD22  LEU  21          HD22      LEU  21 -20.352  11.420  -1.032
  157   HD23  LEU  21          HD23      LEU  21 -18.875  10.913  -0.139
  158    H    MET  22           H        MET  22 -18.232  11.828   1.785
  159    HA   MET  22           HA       MET  22 -16.832  14.175   2.829
  160    HB2  MET  22           HB2      MET  22 -14.965  13.012   3.507
  161    HB3  MET  22           HB3      MET  22 -16.130  11.740   3.829
  162    HG2  MET  22           HG2      MET  22 -14.358  12.119   1.416
  163    HG3  MET  22           HG3      MET  22 -14.117  11.039   2.773
  164    HE1  MET  22           HE1      MET  22 -14.752  10.939  -0.735
  165    HE2  MET  22           HE2      MET  22 -13.502  10.180   0.311
  166    HE3  MET  22           HE3      MET  22 -14.588   9.174  -0.610
  167    H    TYR  23           H        TYR  23 -15.192  14.857   1.138
  168    HA   TYR  23           HA       TYR  23 -15.951  13.883  -1.568
  169    HB2  TYR  23           HB2      TYR  23 -16.048  16.794  -0.710
  170    HB3  TYR  23           HB3      TYR  23 -16.289  16.183  -2.344
  171    HD1  TYR  23           HD1      TYR  23 -18.121  14.020  -2.296
  172    HD2  TYR  23           HD2      TYR  23 -18.071  17.462   0.310
  173    HE1  TYR  23           HE1      TYR  23 -20.486  13.605  -1.721
  174    HE2  TYR  23           HE2      TYR  23 -20.459  17.084   0.846
  175    HH   TYR  23           HH       TYR  23 -22.290  14.289  -0.522
  176    H    GLU  24           H        GLU  24 -14.570  14.793  -3.248
  177    HA   GLU  24           HA       GLU  24 -11.912  13.954  -2.570
  178    HB2  GLU  24           HB2      GLU  24 -13.227  15.022  -5.115
  179    HB3  GLU  24           HB3      GLU  24 -11.529  14.565  -5.021
  180    HG2  GLU  24           HG2      GLU  24 -12.474  12.712  -5.958
  181    HG3  GLU  24           HG3      GLU  24 -12.301  12.240  -4.276
  182    H    ALA  25           H        ALA  25 -10.077  14.973  -2.513
  183    HA   ALA  25           HA       ALA  25 -10.090  17.922  -2.505
  184    HB1  ALA  25           HB1      ALA  25  -8.593  17.639  -0.411
  185    HB2  ALA  25           HB2      ALA  25 -10.318  17.254  -0.198
  186    HB3  ALA  25           HB3      ALA  25  -9.165  15.981  -0.360
  187    H    LYS  26           H        LYS  26  -7.969  18.766  -3.071
  188    HA   LYS  26           HA       LYS  26  -5.970  16.867  -4.192
  189    HB2  LYS  26           HB2      LYS  26  -7.720  17.457  -5.943
  190    HB3  LYS  26           HB3      LYS  26  -7.283  19.138  -5.752
  191    HG2  LYS  26           HG2      LYS  26  -4.810  18.161  -6.247
  192    HG3  LYS  26           HG3      LYS  26  -5.746  16.822  -6.930
  193    HD2  LYS  26           HD2      LYS  26  -5.173  18.400  -8.674
  194    HD3  LYS  26           HD3      LYS  26  -6.928  18.468  -8.414
  195    HE2  LYS  26           HE2      LYS  26  -6.772  20.568  -7.240
  196    HE3  LYS  26           HE3      LYS  26  -5.036  20.373  -6.981
  197    HZ1  LYS  26           HZ1      LYS  26  -5.544  21.978  -8.747
  198    HZ2  LYS  26           HZ2      LYS  26  -4.626  20.746  -9.260
  199    HZ3  LYS  26           HZ3      LYS  26  -6.232  20.791  -9.662
  200    H    ILE  27           H        ILE  27  -4.359  17.496  -2.841
  201    HA   ILE  27           HA       ILE  27  -4.283  20.043  -1.544
  202    HB   ILE  27           HB       ILE  27  -2.197  17.836  -1.742
  203   HG12  ILE  27          HG12      ILE  27  -4.121  18.320   0.535
  204   HG13  ILE  27          HG13      ILE  27  -4.463  17.161  -0.721
  205   HG21  ILE  27          HG21      ILE  27  -1.289  18.838   0.383
  206   HG22  ILE  27          HG22      ILE  27  -1.187  19.954  -0.961
  207   HG23  ILE  27          HG23      ILE  27  -2.469  20.154   0.252
  208   HD11  ILE  27          HD11      ILE  27  -1.862  16.802   0.763
  209   HD12  ILE  27          HD12      ILE  27  -3.419  16.490   1.589
  210   HD13  ILE  27          HD13      ILE  27  -2.928  15.608   0.043
  211    H    LEU  28           H        LEU  28  -3.294  21.910  -2.160
  212    HA   LEU  28           HA       LEU  28  -1.023  21.824  -4.092
  213    HB2  LEU  28           HB2      LEU  28  -3.072  22.541  -5.152
  214    HB3  LEU  28           HB3      LEU  28  -3.505  23.614  -3.839
  215    HG   LEU  28           HG       LEU  28  -1.013  24.149  -5.507
  216   HD11  LEU  28          HD11      LEU  28  -2.912  23.814  -6.991
  217   HD12  LEU  28          HD12      LEU  28  -3.930  24.854  -5.975
  218   HD13  LEU  28          HD13      LEU  28  -2.562  25.547  -6.904
  219   HD21  LEU  28          HD21      LEU  28  -1.193  25.661  -3.555
  220   HD22  LEU  28          HD22      LEU  28  -1.627  26.564  -4.984
  221   HD23  LEU  28          HD23      LEU  28  -2.896  25.985  -3.890
  222    H    LYS  29           H        LYS  29  -2.670  23.986  -1.714
  223    HA   LYS  29           HA       LYS  29   0.023  25.036  -1.028
  224    HB2  LYS  29           HB2      LYS  29  -2.344  26.402  -1.579
  225    HB3  LYS  29           HB3      LYS  29  -2.381  26.312   0.184
  226    HG2  LYS  29           HG2      LYS  29  -0.633  27.725   0.469
  227    HG3  LYS  29           HG3      LYS  29   0.189  27.182  -0.980
  228    HD2  LYS  29           HD2      LYS  29  -0.482  29.482  -1.285
  229    HD3  LYS  29           HD3      LYS  29  -1.339  28.425  -2.421
  230    HE2  LYS  29           HE2      LYS  29  -3.305  28.399  -0.846
  231    HE3  LYS  29           HE3      LYS  29  -2.414  29.536   0.201
  232    HZ1  LYS  29           HZ1      LYS  29  -4.005  30.623  -1.214
  233    HZ2  LYS  29           HZ2      LYS  29  -2.542  31.201  -1.524
  234    HZ3  LYS  29           HZ3      LYS  29  -3.248  30.136  -2.582
  235    H    ILE  30           H        ILE  30   0.777  24.626   1.108
  236    HA   ILE  30           HA       ILE  30  -1.189  23.344   2.890
  237    HB   ILE  30           HB       ILE  30   0.236  21.703   3.741
  238   HG12  ILE  30          HG12      ILE  30   2.463  22.877   3.286
  239   HG13  ILE  30          HG13      ILE  30   2.390  21.124   3.159
  240   HG21  ILE  30          HG21      ILE  30   0.183  20.135   1.901
  241   HG22  ILE  30          HG22      ILE  30  -1.219  21.240   1.846
  242   HG23  ILE  30          HG23      ILE  30   0.093  21.447   0.708
  243   HD11  ILE  30          HD11      ILE  30   3.672  22.209   1.322
  244   HD12  ILE  30          HD12      ILE  30   2.316  21.187   0.774
  245   HD13  ILE  30          HD13      ILE  30   2.150  22.958   0.759
  246    H    TRP  31           H        TRP  31  -0.487  23.262   4.937
  247    HA   TRP  31           HA       TRP  31   0.917  25.797   5.805
  248    HB2  TRP  31           HB2      TRP  31  -1.193  26.675   5.465
  249    HB3  TRP  31           HB3      TRP  31  -2.011  25.187   5.866
  250    HD1  TRP  31           HD1      TRP  31  -2.041  24.562   8.622
  251    HE1  TRP  31           HE1      TRP  31  -2.428  26.127  10.604
  252    HE3  TRP  31           HE3      TRP  31  -1.188  29.100   6.358
  253    HZ2  TRP  31           HZ2      TRP  31  -1.736  28.817  11.271
  254    HZ3  TRP  31           HZ3      TRP  31  -1.489  31.176   7.702
  255    HH2  TRP  31           HH2      TRP  31  -1.880  30.989  10.213
  256    H    ASP  32           H        ASP  32   1.296  26.067   8.019
  257    HA   ASP  32           HA       ASP  32   1.291  23.723   9.738
  258    HB2  ASP  32           HB2      ASP  32   3.387  23.628   8.330
  259    HB3  ASP  32           HB3      ASP  32   3.860  25.188   8.994
  260    HA   PRO  33           HA       PRO  33   0.332  27.497  12.141
  261    HB2  PRO  33           HB2      PRO  33   0.176  26.270  14.650
  262    HB3  PRO  33           HB3      PRO  33  -1.134  26.409  13.458
  263    HG2  PRO  33           HG2      PRO  33   0.831  24.125  13.857
  264    HG3  PRO  33           HG3      PRO  33  -0.955  24.011  13.636
  265    HD2  PRO  33           HD2      PRO  33   0.721  23.497  11.667
  266    HD3  PRO  33           HD3      PRO  33  -0.751  24.474  11.344
  267    H    SER  34           H        SER  34   3.172  25.470  12.535
  268    HA   SER  34           HA       SER  34   4.348  26.638  14.823
  269    HB2  SER  34           HB2      SER  34   5.813  25.550  12.396
  270    HB3  SER  34           HB3      SER  34   6.430  25.680  14.053
  271    HG   SER  34           HG       SER  34   4.442  23.987  12.972
  272    H    SER  35           H        SER  35   4.119  27.877  11.533
  273    HA   SER  35           HA       SER  35   5.481  30.380  12.445
  274    HB2  SER  35           HB2      SER  35   5.272  29.324   9.599
  275    HB3  SER  35           HB3      SER  35   6.165  30.756  10.154
  276    HG   SER  35           HG       SER  35   7.537  28.928   9.866
  277    H    LYS  36           H        LYS  36   2.514  29.008  11.837
  278    HA   LYS  36           HA       LYS  36   0.593  29.539  10.948
  279    HB2  LYS  36           HB2      LYS  36   1.239  31.738  12.815
  280    HB3  LYS  36           HB3      LYS  36  -0.070  32.127  11.729
  281    HG2  LYS  36           HG2      LYS  36  -1.540  30.605  12.537
  282    HG3  LYS  36           HG3      LYS  36  -0.312  29.425  12.977
  283    HD2  LYS  36           HD2      LYS  36  -0.731  32.026  14.501
  284    HD3  LYS  36           HD3      LYS  36  -1.478  30.474  14.938
  285    HE2  LYS  36           HE2      LYS  36   0.727  29.420  15.157
  286    HE3  LYS  36           HE3      LYS  36   1.533  30.895  14.659
  287    HZ1  LYS  36           HZ1      LYS  36   0.653  31.967  16.671
  288    HZ2  LYS  36           HZ2      LYS  36  -0.082  30.575  17.126
  289    HZ3  LYS  36           HZ3      LYS  36   1.548  30.654  17.056
  290    H    MET  37           H        MET  37   2.162  29.476   8.961
  291    HA   MET  37           HA       MET  37   1.048  31.358   7.063
  292    HB2  MET  37           HB2      MET  37   4.038  31.007   7.444
  293    HB3  MET  37           HB3      MET  37   3.308  31.754   6.024
  294    HG2  MET  37           HG2      MET  37   2.232  33.471   7.537
  295    HG3  MET  37           HG3      MET  37   3.111  32.773   8.880
  296    HE1  MET  37           HE1      MET  37   5.945  32.236   8.124
  297    HE2  MET  37           HE2      MET  37   5.612  32.363   6.392
  298    HE3  MET  37           HE3      MET  37   6.802  33.455   7.100
  299    H    TYR  38           H        TYR  38   1.877  30.511   4.806
  300    HA   TYR  38           HA       TYR  38   1.334  27.599   4.840
  301    HB2  TYR  38           HB2      TYR  38   0.110  27.985   2.764
  302    HB3  TYR  38           HB3      TYR  38  -0.513  28.919   4.110
  303    HD1  TYR  38           HD1      TYR  38  -0.253  31.259   4.304
  304    HD2  TYR  38           HD2      TYR  38   1.311  29.176   0.883
  305    HE1  TYR  38           HE1      TYR  38   0.154  33.408   3.164
  306    HE2  TYR  38           HE2      TYR  38   1.546  31.304  -0.334
  307    HH   TYR  38           HH       TYR  38   0.862  34.484   1.275
  308    H    THR  39           H        THR  39   1.757  27.191   2.031
  309    HA   THR  39           HA       THR  39   4.384  27.757   1.137
  310    HB   THR  39           HB       THR  39   4.661  24.974   1.493
  311    HG1  THR  39           HG1      THR  39   3.018  25.334   3.253
  312   HG21  THR  39          HG21      THR  39   6.513  26.430   1.518
  313   HG22  THR  39          HG22      THR  39   5.915  27.313   2.930
  314   HG23  THR  39          HG23      THR  39   6.498  25.635   3.106
  315    H    SER  40           H        SER  40   4.619  26.649  -0.993
  316    HA   SER  40           HA       SER  40   2.382  24.918  -1.899
  317    HB2  SER  40           HB2      SER  40   1.861  27.555  -2.061
  318    HB3  SER  40           HB3      SER  40   2.832  27.346  -3.525
  319    HG   SER  40           HG       SER  40   0.641  27.004  -3.948
  320    H    ILE  41           H        ILE  41   2.613  24.425  -4.210
  321    HA   ILE  41           HA       ILE  41   5.292  24.818  -5.359
  322    HB   ILE  41           HB       ILE  41   5.180  22.448  -6.236
  323   HG12  ILE  41          HG12      ILE  41   3.998  20.756  -4.974
  324   HG13  ILE  41          HG13      ILE  41   3.069  21.984  -4.102
  325   HG21  ILE  41          HG21      ILE  41   5.461  22.817  -3.240
  326   HG22  ILE  41          HG22      ILE  41   6.151  21.514  -4.230
  327   HG23  ILE  41          HG23      ILE  41   6.688  23.176  -4.474
  328   HD11  ILE  41          HD11      ILE  41   2.953  21.927  -7.102
  329   HD12  ILE  41          HD12      ILE  41   2.065  20.706  -6.175
  330   HD13  ILE  41          HD13      ILE  41   1.714  22.417  -5.916
  331    HA   PRO  42           HA       PRO  42   2.771  25.926  -8.908
  332    HB2  PRO  42           HB2      PRO  42   4.695  26.196 -10.827
  333    HB3  PRO  42           HB3      PRO  42   4.599  27.304  -9.440
  334    HG2  PRO  42           HG2      PRO  42   6.324  24.798  -9.728
  335    HG3  PRO  42           HG3      PRO  42   6.858  26.433  -9.224
  336    HD2  PRO  42           HD2      PRO  42   6.279  24.529  -7.377
  337    HD3  PRO  42           HD3      PRO  42   5.764  26.223  -7.096
  338    H    ASN  43           H        ASN  43   4.255  22.883  -8.584
  339    HA   ASN  43           HA       ASN  43   3.826  21.787 -11.192
  340    HB2  ASN  43           HB2      ASN  43   5.351  20.863  -9.383
  341    HB3  ASN  43           HB3      ASN  43   3.911  20.310  -8.526
  342   HD21  ASN  43          HD21      ASN  43   3.867  18.063  -8.803
  343   HD22  ASN  43          HD22      ASN  43   4.105  17.257 -10.335
  344    H    ASP  44           H        ASP  44   1.468  23.068  -9.321
  345    HA   ASP  44           HA       ASP  44  -0.625  21.418 -10.502
  346    HB2  ASP  44           HB2      ASP  44  -0.194  20.393  -8.256
  347    HB3  ASP  44           HB3      ASP  44  -0.524  21.960  -7.508
  348    H    LYS  45           H        LYS  45  -2.782  22.568 -10.033
  349    HA   LYS  45           HA       LYS  45  -2.425  25.519 -10.298
  350    HB2  LYS  45           HB2      LYS  45  -2.546  24.545 -12.527
  351    HB3  LYS  45           HB3      LYS  45  -3.912  23.518 -12.051
  352    HG2  LYS  45           HG2      LYS  45  -5.295  25.520 -11.707
  353    HG3  LYS  45           HG3      LYS  45  -3.967  26.554 -12.249
  354    HD2  LYS  45           HD2      LYS  45  -4.087  25.369 -14.481
  355    HD3  LYS  45           HD3      LYS  45  -5.449  24.417 -13.874
  356    HE2  LYS  45           HE2      LYS  45  -5.340  27.443 -14.198
  357    HE3  LYS  45           HE3      LYS  45  -6.241  26.318 -15.216
  358    HZ1  LYS  45           HZ1      LYS  45  -7.674  27.378 -13.611
  359    HZ2  LYS  45           HZ2      LYS  45  -7.602  25.781 -13.264
  360    HZ3  LYS  45           HZ3      LYS  45  -6.782  26.869 -12.347
  361    HA   PRO  46           HA       PRO  46  -6.020  25.253  -7.550
  362    HB2  PRO  46           HB2      PRO  46  -6.512  27.865  -7.103
  363    HB3  PRO  46           HB3      PRO  46  -5.043  27.065  -6.431
  364    HG2  PRO  46           HG2      PRO  46  -5.271  28.772  -8.915
  365    HG3  PRO  46           HG3      PRO  46  -4.014  28.850  -7.643
  366    HD2  PRO  46           HD2      PRO  46  -3.729  27.498 -10.052
  367    HD3  PRO  46           HD3      PRO  46  -2.878  27.023  -8.552
  368    H    GLY  47           H        GLY  47  -8.211  26.112  -7.482
  369    HA2  GLY  47           HA2      GLY  47  -9.658  26.098  -9.928
  370    HA3  GLY  47           HA3      GLY  47 -10.222  26.562  -8.307
  371    H    GLY  48           H        GLY  48  -8.106  28.762  -8.179
  372    HA2  GLY  48           HA2      GLY  48  -9.849  30.773  -9.494
  373    HA3  GLY  48           HA3      GLY  48  -8.866  30.981  -8.050
  374    H    SER  49           H        SER  49  -6.780  29.490 -10.236
  375    HA   SER  49           HA       SER  49  -5.911  32.007 -11.524
  376    HB2  SER  49           HB2      SER  49  -3.972  30.428  -9.799
  377    HB3  SER  49           HB3      SER  49  -3.740  32.001 -10.554
  378    HG   SER  49           HG       SER  49  -4.148  32.224  -8.328
  379    H    SER  50           H        SER  50  -4.043  31.595 -13.017
  380    HA   SER  50           HA       SER  50  -4.530  29.384 -14.740
  381    HB2  SER  50           HB2      SER  50  -2.314  30.331 -15.746
  382    HB3  SER  50           HB3      SER  50  -3.789  31.311 -15.774
  383    HG   SER  50           HG       SER  50  -1.966  32.505 -15.054
  384    H    GLN  51           H        GLN  51  -2.158  29.923 -12.106
  385    HA   GLN  51           HA       GLN  51  -1.696  27.166 -11.724
  386    HB2  GLN  51           HB2      GLN  51   0.058  28.393 -13.635
  387    HB3  GLN  51           HB3      GLN  51   0.976  28.364 -12.130
  388    HG2  GLN  51           HG2      GLN  51   0.716  25.979 -11.905
  389    HG3  GLN  51           HG3      GLN  51  -0.434  25.903 -13.243
  390   HE21  GLN  51          HE21      GLN  51   2.628  25.006 -12.625
  391   HE22  GLN  51          HE22      GLN  51   3.365  25.285 -14.193
  392    H    ALA  52           H        ALA  52  -0.214  27.010  -9.837
  393    HA   ALA  52           HA       ALA  52  -0.452  29.243  -7.909
  394    HB1  ALA  52           HB1      ALA  52  -0.633  26.938  -7.077
  395    HB2  ALA  52           HB2      ALA  52   0.888  26.498  -7.860
  396    HB3  ALA  52           HB3      ALA  52   0.899  27.632  -6.489
  397    H    THR  53           H        THR  53   1.139  30.894  -7.994
  398    HA   THR  53           HA       THR  53   3.109  30.564 -10.049
  399    HB   THR  53           HB       THR  53   2.942  32.988  -8.255
  400    HG1  THR  53           HG1      THR  53   1.292  33.717  -9.553
  401   HG21  THR  53          HG21      THR  53   3.630  32.464 -11.200
  402   HG22  THR  53          HG22      THR  53   3.661  34.062 -10.407
  403   HG23  THR  53          HG23      THR  53   4.796  32.787  -9.917
  404    H    LYS  54           H        LYS  54   4.904  29.573  -9.817
  405    HA   LYS  54           HA       LYS  54   6.790  28.669  -9.123
  406    HB2  LYS  54           HB2      LYS  54   7.208  31.345  -8.919
  407    HB3  LYS  54           HB3      LYS  54   7.520  30.851  -7.246
  408    HG2  LYS  54           HG2      LYS  54   9.126  29.087  -8.179
  409    HG3  LYS  54           HG3      LYS  54   8.811  29.735  -9.780
  410    HD2  LYS  54           HD2      LYS  54  10.901  30.634  -8.967
  411    HD3  LYS  54           HD3      LYS  54   9.725  31.952  -9.070
  412    HE2  LYS  54           HE2      LYS  54   9.328  31.785  -6.621
  413    HE3  LYS  54           HE3      LYS  54  10.457  30.423  -6.516
  414    HZ1  LYS  54           HZ1      LYS  54  11.513  32.494  -5.888
  415    HZ2  LYS  54           HZ2      LYS  54  12.220  31.914  -7.241
  416    HZ3  LYS  54           HZ3      LYS  54  11.180  33.173  -7.335
  417    H    GLU  55           H        GLU  55   8.277  28.189  -7.084
  418    HA   GLU  55           HA       GLU  55   6.656  26.767  -5.133
  419    HB2  GLU  55           HB2      GLU  55   9.642  27.399  -5.312
  420    HB3  GLU  55           HB3      GLU  55   8.897  26.445  -4.019
  421    HG2  GLU  55           HG2      GLU  55   8.087  24.797  -5.681
  422    HG3  GLU  55           HG3      GLU  55   8.821  25.732  -6.984
  423    H    ILE  56           H        ILE  56   5.971  27.586  -3.219
  424    HA   ILE  56           HA       ILE  56   6.491  30.498  -2.855
  425    HB   ILE  56           HB       ILE  56   4.046  29.056  -1.833
  426   HG12  ILE  56          HG12      ILE  56   4.387  30.468  -4.526
  427   HG13  ILE  56          HG13      ILE  56   4.185  28.731  -4.292
  428   HG21  ILE  56          HG21      ILE  56   3.132  31.402  -1.905
  429   HG22  ILE  56          HG22      ILE  56   4.528  31.273  -0.849
  430   HG23  ILE  56          HG23      ILE  56   4.703  31.981  -2.468
  431   HD11  ILE  56          HD11      ILE  56   1.985  29.460  -2.997
  432   HD12  ILE  56          HD12      ILE  56   2.140  30.857  -4.090
  433   HD13  ILE  56          HD13      ILE  56   2.107  29.197  -4.787
  434    H    LYS  57           H        LYS  57   7.364  31.148  -1.114
  435    HA   LYS  57           HA       LYS  57   8.341  29.303   0.967
  436    HB2  LYS  57           HB2      LYS  57   8.562  32.333   0.588
  437    HB3  LYS  57           HB3      LYS  57   9.394  31.422   1.836
  438    HG2  LYS  57           HG2      LYS  57   9.876  31.187  -1.169
  439    HG3  LYS  57           HG3      LYS  57  10.903  32.018  -0.001
  440    HD2  LYS  57           HD2      LYS  57  11.330  29.855   1.167
  441    HD3  LYS  57           HD3      LYS  57  10.346  29.013  -0.052
  442    HE2  LYS  57           HE2      LYS  57  11.843  29.834  -1.844
  443    HE3  LYS  57           HE3      LYS  57  12.840  30.660  -0.641
  444    HZ1  LYS  57           HZ1      LYS  57  12.442  27.728  -0.802
  445    HZ2  LYS  57           HZ2      LYS  57  13.789  28.541  -1.249
  446    HZ3  LYS  57           HZ3      LYS  57  13.357  28.492   0.321
  447    HA   PRO  58           HA       PRO  58   5.026  30.472   3.721
  448    HB2  PRO  58           HB2      PRO  58   7.178  30.969   5.790
  449    HB3  PRO  58           HB3      PRO  58   5.673  29.993   5.959
  450    HG2  PRO  58           HG2      PRO  58   8.115  28.845   5.689
  451    HG3  PRO  58           HG3      PRO  58   6.692  28.178   4.824
  452    HD2  PRO  58           HD2      PRO  58   8.827  30.068   3.797
  453    HD3  PRO  58           HD3      PRO  58   8.141  28.591   3.021
  454    H    GLN  59           H        GLN  59   4.040  32.330   3.656
  455    HA   GLN  59           HA       GLN  59   5.390  34.834   4.437
  456    HB2  GLN  59           HB2      GLN  59   3.836  34.446   1.833
  457    HB3  GLN  59           HB3      GLN  59   4.242  36.014   2.533
  458    HG2  GLN  59           HG2      GLN  59   6.674  35.400   2.390
  459    HG3  GLN  59           HG3      GLN  59   6.224  33.950   1.500
  460   HE21  GLN  59          HE21      GLN  59   7.888  36.226   0.573
  461   HE22  GLN  59          HE22      GLN  59   7.083  36.858  -0.843
  462    H    LYS  60           H        LYS  60   3.911  36.336   5.261
  463    HA   LYS  60           HA       LYS  60   1.549  35.570   6.537
  464    HB2  LYS  60           HB2      LYS  60   2.846  37.806   6.677
  465    HB3  LYS  60           HB3      LYS  60   1.917  38.284   5.237
  466    HG2  LYS  60           HG2      LYS  60  -0.196  38.007   6.504
  467    HG3  LYS  60           HG3      LYS  60   0.704  37.391   7.893
  468    HD2  LYS  60           HD2      LYS  60   0.089  39.675   8.322
  469    HD3  LYS  60           HD3      LYS  60   1.847  39.585   8.131
  470    HE2  LYS  60           HE2      LYS  60   1.634  40.397   5.786
  471    HE3  LYS  60           HE3      LYS  60  -0.124  40.451   5.960
  472    HZ1  LYS  60           HZ1      LYS  60   0.159  42.147   7.666
  473    HZ2  LYS  60           HZ2      LYS  60   1.788  42.086   7.526
  474    HZ3  LYS  60           HZ3      LYS  60   0.882  42.624   6.283
  475    H    LEU  61           H        LEU  61  -0.687  35.651   5.975
  476    HA   LEU  61           HA       LEU  61  -1.098  35.341   3.072
  477    HB2  LEU  61           HB2      LEU  61  -2.032  33.389   3.388
  478    HB3  LEU  61           HB3      LEU  61  -1.232  33.390   4.946
  479    HG   LEU  61           HG       LEU  61  -4.185  34.060   4.468
  480   HD11  LEU  61          HD11      LEU  61  -3.469  31.822   3.931
  481   HD12  LEU  61          HD12      LEU  61  -2.709  31.641   5.505
  482   HD13  LEU  61          HD13      LEU  61  -4.493  31.833   5.372
  483   HD21  LEU  61          HD21      LEU  61  -4.364  33.818   6.928
  484   HD22  LEU  61          HD22      LEU  61  -2.589  33.678   7.052
  485   HD23  LEU  61          HD23      LEU  61  -3.340  35.204   6.510
  486    H    GLY  62           H        GLY  62  -3.570  35.228   2.590
  487    HA2  GLY  62           HA2      GLY  62  -5.305  37.019   3.898
  488    HA3  GLY  62           HA3      GLY  62  -4.519  37.924   2.584
  489    H    GLU  63           H        GLU  63  -5.114  37.494   0.488
  490    HA   GLU  63           HA       GLU  63  -6.350  36.844  -1.263
  491    HB2  GLU  63           HB2      GLU  63  -5.578  34.084  -0.241
  492    HB3  GLU  63           HB3      GLU  63  -6.084  34.489  -1.883
  493    HG2  GLU  63           HG2      GLU  63  -4.095  36.104  -1.966
  494    HG3  GLU  63           HG3      GLU  63  -3.525  35.333  -0.483
  495    H    ASP  64           H        ASP  64  -7.972  37.043   1.322
  496    HA   ASP  64           HA       ASP  64  -9.939  36.486   2.252
  497    HB2  ASP  64           HB2      ASP  64 -10.787  37.695   0.279
  498    HB3  ASP  64           HB3      ASP  64 -10.887  36.177  -0.612
  499    H    GLU  65           H        GLU  65  -8.088  34.555   2.307
  500    HA   GLU  65           HA       GLU  65  -9.435  31.922   1.909
  501    HB2  GLU  65           HB2      GLU  65  -7.698  32.578   0.255
  502    HB3  GLU  65           HB3      GLU  65  -6.583  32.949   1.579
  503    HG2  GLU  65           HG2      GLU  65  -6.410  30.696   2.211
  504    HG3  GLU  65           HG3      GLU  65  -7.554  30.176   0.945
  505    H    SER  66           H        SER  66  -8.131  34.044   4.120
  506    HA   SER  66           HA       SER  66  -6.381  32.841   5.734
  507    HB2  SER  66           HB2      SER  66  -8.700  34.375   6.894
  508    HB3  SER  66           HB3      SER  66  -7.065  34.189   7.553
  509    HG   SER  66           HG       SER  66  -7.363  36.216   6.420
  510    H    ILE  67           H        ILE  67  -6.180  31.108   6.967
  511    HA   ILE  67           HA       ILE  67  -8.231  29.211   7.103
  512    HB   ILE  67           HB       ILE  67  -6.379  28.625   9.146
  513   HG12  ILE  67          HG12      ILE  67  -4.689  30.254   8.206
  514   HG13  ILE  67          HG13      ILE  67  -4.205  28.597   8.248
  515   HG21  ILE  67          HG21      ILE  67  -5.638  26.892   7.641
  516   HG22  ILE  67          HG22      ILE  67  -7.408  27.050   7.753
  517   HG23  ILE  67          HG23      ILE  67  -6.549  27.717   6.321
  518   HD11  ILE  67          HD11      ILE  67  -5.236  29.814   5.712
  519   HD12  ILE  67          HD12      ILE  67  -3.531  29.772   6.206
  520   HD13  ILE  67          HD13      ILE  67  -4.376  28.263   5.947
  521    HA   PRO  68           HA       PRO  68 -10.089  30.564  11.034
  522    HB2  PRO  68           HB2      PRO  68 -11.935  28.592  11.394
  523    HB3  PRO  68           HB3      PRO  68 -12.137  29.893  10.185
  524    HG2  PRO  68           HG2      PRO  68 -11.170  27.065   9.745
  525    HG3  PRO  68           HG3      PRO  68 -12.331  28.004   8.763
  526    HD2  PRO  68           HD2      PRO  68  -9.650  27.744   8.126
  527    HD3  PRO  68           HD3      PRO  68 -10.622  29.177   7.683
  528    H    GLU  69           H        GLU  69  -9.833  29.956  13.197
  529    HA   GLU  69           HA       GLU  69  -7.596  28.428  13.910
  530    HB2  GLU  69           HB2      GLU  69  -9.969  29.330  15.582
  531    HB3  GLU  69           HB3      GLU  69  -8.466  28.674  16.240
  532    HG2  GLU  69           HG2      GLU  69  -7.176  30.508  15.187
  533    HG3  GLU  69           HG3      GLU  69  -8.669  31.202  14.543
  534    H    GLU  70           H        GLU  70 -10.870  27.403  13.379
  535    HA   GLU  70           HA       GLU  70 -11.077  25.031  14.849
  536    HB2  GLU  70           HB2      GLU  70 -12.156  25.739  12.085
  537    HB3  GLU  70           HB3      GLU  70 -12.703  24.371  13.061
  538    HG2  GLU  70           HG2      GLU  70 -13.395  25.952  14.868
  539    HG3  GLU  70           HG3      GLU  70 -12.930  27.312  13.847
  540    H    ILE  71           H        ILE  71  -9.208  25.679  11.893
  541    HA   ILE  71           HA       ILE  71  -8.413  22.782  11.861
  542    HB   ILE  71           HB       ILE  71  -7.962  23.037   9.483
  543   HG12  ILE  71          HG12      ILE  71  -9.452  25.674   9.622
  544   HG13  ILE  71          HG13      ILE  71  -7.741  25.472   9.274
  545   HG21  ILE  71          HG21      ILE  71 -10.071  22.058  10.425
  546   HG22  ILE  71          HG22      ILE  71 -10.855  23.645  10.142
  547   HG23  ILE  71          HG23      ILE  71 -10.245  22.690   8.785
  548   HD11  ILE  71          HD11      ILE  71 -10.053  24.463   7.543
  549   HD12  ILE  71          HD12      ILE  71  -9.005  25.804   7.163
  550   HD13  ILE  71          HD13      ILE  71  -8.320  24.173   7.214
  551    H    ILE  72           H        ILE  72  -7.368  26.112  11.815
  552    HA   ILE  72           HA       ILE  72  -4.898  25.990  10.829
  553    HB   ILE  72           HB       ILE  72  -6.423  27.885  12.103
  554   HG12  ILE  72          HG12      ILE  72  -3.538  27.998  11.440
  555   HG13  ILE  72          HG13      ILE  72  -4.751  27.869  10.203
  556   HG21  ILE  72          HG21      ILE  72  -5.317  27.407  14.408
  557   HG22  ILE  72          HG22      ILE  72  -3.781  27.959  13.636
  558   HG23  ILE  72          HG23      ILE  72  -5.138  29.054  13.781
  559   HD11  ILE  72          HD11      ILE  72  -5.848  29.889  11.139
  560   HD12  ILE  72          HD12      ILE  72  -4.341  30.182  12.073
  561   HD13  ILE  72          HD13      ILE  72  -4.301  30.150  10.301
  562    H    ASN  73           H        ASN  73  -5.741  24.858  13.911
  563    HA   ASN  73           HA       ASN  73  -3.304  24.747  15.309
  564    HB2  ASN  73           HB2      ASN  73  -4.598  23.225  16.762
  565    HB3  ASN  73           HB3      ASN  73  -5.507  24.686  16.347
  566   HD21  ASN  73          HD21      ASN  73  -7.540  24.443  15.200
  567   HD22  ASN  73          HD22      ASN  73  -8.139  22.883  14.722
  568    H    GLY  74           H        GLY  74  -3.938  23.075  12.584
  569    HA2  GLY  74           HA2      GLY  74  -1.931  20.971  13.162
  570    HA3  GLY  74           HA3      GLY  74  -3.476  20.437  12.469
  571    H    LYS  75           H        LYS  75  -1.669  19.849  11.008
  572    HA   LYS  75           HA       LYS  75  -0.689  21.670   9.015
  573    HB2  LYS  75           HB2      LYS  75  -1.478  18.733   8.947
  574    HB3  LYS  75           HB3      LYS  75  -0.956  19.612   7.509
  575    HG2  LYS  75           HG2      LYS  75   0.788  19.529   9.962
  576    HG3  LYS  75           HG3      LYS  75   0.782  18.210   8.759
  577    HD2  LYS  75           HD2      LYS  75   2.103  19.323   7.363
  578    HD3  LYS  75           HD3      LYS  75   0.977  20.667   7.294
  579    HE2  LYS  75           HE2      LYS  75   3.056  21.557   7.939
  580    HE3  LYS  75           HE3      LYS  75   1.984  21.637   9.340
  581    HZ1  LYS  75           HZ1      LYS  75   3.153  19.702  10.244
  582    HZ2  LYS  75           HZ2      LYS  75   4.128  19.626   8.921
  583    HZ3  LYS  75           HZ3      LYS  75   4.193  20.931   9.914
  584    H    CYS  76           H        CYS  76  -1.774  22.537   7.238
  585    HA   CYS  76           HA       CYS  76  -4.602  21.705   6.864
  586    HB2  CYS  76           HB2      CYS  76  -3.717  24.616   6.808
  587    HB3  CYS  76           HB3      CYS  76  -5.254  24.009   6.225
  588    HG   CYS  76           HG       CYS  76  -5.610  25.158   8.512
  589    H    PHE  77           H        PHE  77  -5.349  21.913   4.799
  590    HA   PHE  77           HA       PHE  77  -3.264  21.930   2.666
  591    HB2  PHE  77           HB2      PHE  77  -5.529  19.915   3.085
  592    HB3  PHE  77           HB3      PHE  77  -4.279  19.907   1.842
  593    HD1  PHE  77           HD1      PHE  77  -1.955  19.392   2.459
  594    HD2  PHE  77           HD2      PHE  77  -5.078  19.301   5.364
  595    HE1  PHE  77           HE1      PHE  77  -0.315  18.671   4.201
  596    HE2  PHE  77           HE2      PHE  77  -3.585  18.205   6.977
  597    HZ   PHE  77           HZ       PHE  77  -1.178  17.788   6.366
  598    H    PHE  78           H        PHE  78  -3.870  23.623   1.467
  599    HA   PHE  78           HA       PHE  78  -6.636  24.447   0.950
  600    HB2  PHE  78           HB2      PHE  78  -4.593  25.991   0.890
  601    HB3  PHE  78           HB3      PHE  78  -4.108  25.114  -0.560
  602    HD1  PHE  78           HD1      PHE  78  -7.034  26.937   0.924
  603    HD2  PHE  78           HD2      PHE  78  -4.839  25.925  -2.649
  604    HE1  PHE  78           HE1      PHE  78  -8.484  28.456  -0.398
  605    HE2  PHE  78           HE2      PHE  78  -6.243  27.503  -3.951
  606    HZ   PHE  78           HZ       PHE  78  -8.031  28.807  -2.808
  607    H    ILE  79           H        ILE  79  -7.838  23.163  -0.287
  608    HA   ILE  79           HA       ILE  79  -6.488  21.374  -2.232
  609    HB   ILE  79           HB       ILE  79  -8.310  19.713  -1.530
  610   HG12  ILE  79          HG12      ILE  79  -8.586  21.330   1.000
  611   HG13  ILE  79          HG13      ILE  79  -9.605  21.676  -0.398
  612   HG21  ILE  79          HG21      ILE  79  -6.501  18.809  -0.542
  613   HG22  ILE  79          HG22      ILE  79  -5.853  20.379  -0.033
  614   HG23  ILE  79          HG23      ILE  79  -7.046  19.586   0.954
  615   HD11  ILE  79          HD11      ILE  79 -10.514  19.478  -0.420
  616   HD12  ILE  79          HD12      ILE  79  -9.631  19.123   1.116
  617   HD13  ILE  79          HD13      ILE  79 -10.853  20.434   1.013
  618    H    HIS  80           H        HIS  80  -7.633  20.979  -4.199
  619    HA   HIS  80           HA       HIS  80  -9.960  22.817  -4.605
  620    HB2  HIS  80           HB2      HIS  80  -8.601  22.434  -6.596
  621    HB3  HIS  80           HB3      HIS  80  -8.903  20.681  -6.462
  622    HD2  HIS  80           HD2      HIS  80 -11.545  23.528  -6.076
  623    HE1  HIS  80           HE1      HIS  80 -12.902  20.917  -9.150
  624    HE2  HIS  80           HE2      HIS  80 -13.544  22.854  -7.640
  625    H    TYR  81           H        TYR  81 -11.899  22.164  -3.910
  626    HA   TYR  81           HA       TYR  81 -12.345  19.401  -3.061
  627    HB2  TYR  81           HB2      TYR  81 -14.018  21.882  -3.026
  628    HB3  TYR  81           HB3      TYR  81 -14.790  20.315  -2.905
  629    HD1  TYR  81           HD1      TYR  81 -13.255  18.682  -1.211
  630    HD2  TYR  81           HD2      TYR  81 -13.934  22.897  -0.830
  631    HE1  TYR  81           HE1      TYR  81 -13.302  18.436   1.244
  632    HE2  TYR  81           HE2      TYR  81 -13.890  22.696   1.634
  633    HH   TYR  81           HH       TYR  81 -13.480  19.529   3.289
  634    H    GLN  82           H        GLN  82 -12.232  18.075  -4.807
  635    HA   GLN  82           HA       GLN  82 -13.097  18.962  -7.451
  636    HB2  GLN  82           HB2      GLN  82 -12.291  16.130  -6.743
  637    HB3  GLN  82           HB3      GLN  82 -12.259  16.922  -8.309
  638    HG2  GLN  82           HG2      GLN  82 -10.472  18.473  -7.420
  639    HG3  GLN  82           HG3      GLN  82 -10.456  17.518  -5.934
  640   HE21  GLN  82          HE21      GLN  82  -9.504  15.476  -5.914
  641   HE22  GLN  82          HE22      GLN  82  -8.559  14.859  -7.258
  642    H    GLY  83           H        GLY  83 -14.628  17.669  -8.769
  643    HA2  GLY  83           HA2      GLY  83 -16.766  16.860  -9.116
  644    HA3  GLY  83           HA3      GLY  83 -16.795  16.229  -7.462
  645    H    TRP  84           H        TRP  84 -15.910  19.551  -7.385
  646    HA   TRP  84           HA       TRP  84 -18.685  20.517  -7.251
  647    HB2  TRP  84           HB2      TRP  84 -16.735  20.730  -4.902
  648    HB3  TRP  84           HB3      TRP  84 -18.342  21.465  -5.020
  649    HD1  TRP  84           HD1      TRP  84 -16.769  18.458  -3.626
  650    HE1  TRP  84           HE1      TRP  84 -18.623  16.882  -2.764
  651    HE3  TRP  84           HE3      TRP  84 -20.731  20.522  -6.053
  652    HZ2  TRP  84           HZ2      TRP  84 -21.468  16.722  -2.955
  653    HZ3  TRP  84           HZ3      TRP  84 -23.057  19.653  -5.689
  654    HH2  TRP  84           HH2      TRP  84 -23.440  17.746  -4.126
  655    H    LYS  85           H        LYS  85 -18.569  22.970  -6.786
  656    HA   LYS  85           HA       LYS  85 -17.458  24.050  -9.072
  657    HB2  LYS  85           HB2      LYS  85 -18.504  25.265  -6.486
  658    HB3  LYS  85           HB3      LYS  85 -17.804  26.318  -7.709
  659    HG2  LYS  85           HG2      LYS  85 -19.975  24.315  -8.408
  660    HG3  LYS  85           HG3      LYS  85 -20.352  25.932  -7.788
  661    HD2  LYS  85           HD2      LYS  85 -19.409  27.038  -9.674
  662    HD3  LYS  85           HD3      LYS  85 -18.499  25.611 -10.177
  663    HE2  LYS  85           HE2      LYS  85 -20.300  25.840 -11.698
  664    HE3  LYS  85           HE3      LYS  85 -20.599  24.423 -10.691
  665    HZ1  LYS  85           HZ1      LYS  85 -22.184  25.746  -9.413
  666    HZ2  LYS  85           HZ2      LYS  85 -21.875  27.077 -10.326
  667    HZ3  LYS  85           HZ3      LYS  85 -22.592  25.776 -10.989
  668    H    SER  86           H        SER  86 -15.687  25.190  -9.640
  669    HA   SER  86           HA       SER  86 -13.238  24.900  -8.362
  670    HB2  SER  86           HB2      SER  86 -14.016  27.260 -10.105
  671    HB3  SER  86           HB3      SER  86 -12.409  26.516  -9.932
  672    HG   SER  86           HG       SER  86 -13.497  25.827 -11.852
  673    H    SER  87           H        SER  87 -15.778  27.244  -7.594
  674    HA   SER  87           HA       SER  87 -14.281  29.115  -6.117
  675    HB2  SER  87           HB2      SER  87 -17.109  28.200  -5.485
  676    HB3  SER  87           HB3      SER  87 -16.404  29.815  -5.274
  677    HG   SER  87           HG       SER  87 -17.724  29.723  -7.140
  678    H    TRP  88           H        TRP  88 -15.246  25.801  -5.301
  679    HA   TRP  88           HA       TRP  88 -14.887  26.104  -2.431
  680    HB2  TRP  88           HB2      TRP  88 -15.291  23.681  -4.239
  681    HB3  TRP  88           HB3      TRP  88 -15.098  23.632  -2.503
  682    HD1  TRP  88           HD1      TRP  88 -17.537  26.095  -4.158
  683    HE1  TRP  88           HE1      TRP  88 -19.799  25.662  -3.104
  684    HE3  TRP  88           HE3      TRP  88 -16.319  21.985  -1.402
  685    HZ2  TRP  88           HZ2      TRP  88 -21.034  23.611  -1.386
  686    HZ3  TRP  88           HZ3      TRP  88 -18.069  20.757  -0.110
  687    HH2  TRP  88           HH2      TRP  88 -20.403  21.579  -0.075
  688    H    ASP  89           H        ASP  89 -12.540  26.879  -4.100
  689    HA   ASP  89           HA       ASP  89 -10.508  24.831  -3.461
  690    HB2  ASP  89           HB2      ASP  89 -10.582  27.407  -4.941
  691    HB3  ASP  89           HB3      ASP  89  -9.190  27.203  -3.891
  692    H    GLU  90           H        GLU  90 -10.686  24.451  -1.241
  693    HA   GLU  90           HA       GLU  90 -10.462  26.791   0.618
  694    HB2  GLU  90           HB2      GLU  90 -12.799  25.960   0.308
  695    HB3  GLU  90           HB3      GLU  90 -12.238  24.310   0.664
  696    HG2  GLU  90           HG2      GLU  90 -12.140  24.628   2.893
  697    HG3  GLU  90           HG3      GLU  90 -11.688  26.319   2.797
  698    H    TRP  91           H        TRP  91  -9.075  26.375   2.441
  699    HA   TRP  91           HA       TRP  91  -7.803  23.798   2.437
  700    HB2  TRP  91           HB2      TRP  91  -7.462  25.124   5.013
  701    HB3  TRP  91           HB3      TRP  91  -6.280  24.458   3.933
  702    HD1  TRP  91           HD1      TRP  91  -8.491  27.591   4.143
  703    HE1  TRP  91           HE1      TRP  91  -7.042  29.628   3.874
  704    HE3  TRP  91           HE3      TRP  91  -3.913  25.340   3.470
  705    HZ2  TRP  91           HZ2      TRP  91  -4.386  30.251   2.902
  706    HZ3  TRP  91           HZ3      TRP  91  -1.932  26.729   2.919
  707    HH2  TRP  91           HH2      TRP  91  -2.202  29.227   2.554
  708    H    VAL  92           H        VAL  92  -7.718  22.282   3.987
  709    HA   VAL  92           HA       VAL  92  -9.728  22.365   6.163
  710    HB   VAL  92           HB       VAL  92  -9.447  19.616   5.566
  711   HG11  VAL  92          HG11      VAL  92 -11.854  19.701   5.244
  712   HG12  VAL  92          HG12      VAL  92 -11.369  20.724   6.606
  713   HG13  VAL  92          HG13      VAL  92 -11.782  21.473   5.040
  714   HG21  VAL  92          HG21      VAL  92 -10.370  19.320   3.372
  715   HG22  VAL  92          HG22      VAL  92 -10.373  21.078   3.084
  716   HG23  VAL  92          HG23      VAL  92  -8.832  20.199   3.232
  717    H    GLY  93           H        GLY  93  -9.099  21.131   7.990
  718    HA2  GLY  93           HA2      GLY  93  -6.162  20.807   8.254
  719    HA3  GLY  93           HA3      GLY  93  -7.333  20.909   9.576
  720    H    TYR  94           H        TYR  94  -5.567  18.910   9.553
  721    HA   TYR  94           HA       TYR  94  -6.369  16.513   8.309
  722    HB2  TYR  94           HB2      TYR  94  -4.325  17.412   9.994
  723    HB3  TYR  94           HB3      TYR  94  -5.086  16.098  10.906
  724    HD1  TYR  94           HD1      TYR  94  -5.768  14.057   9.270
  725    HD2  TYR  94           HD2      TYR  94  -2.642  16.910   8.577
  726    HE1  TYR  94           HE1      TYR  94  -4.952  12.647   7.403
  727    HE2  TYR  94           HE2      TYR  94  -1.848  15.547   6.629
  728    HH   TYR  94           HH       TYR  94  -2.204  13.611   5.317
  729    H    ASP  95           H        ASP  95  -7.785  18.133  10.977
  730    HA   ASP  95           HA       ASP  95  -9.199  16.061  12.248
  731    HB2  ASP  95           HB2      ASP  95  -9.216  18.392  13.042
  732    HB3  ASP  95           HB3      ASP  95 -10.133  18.885  11.609
  733    H    ARG  96           H        ARG  96  -9.761  17.529   9.062
  734    HA   ARG  96           HA       ARG  96 -12.065  15.650   8.704
  735    HB2  ARG  96           HB2      ARG  96 -11.689  18.391   7.442
  736    HB3  ARG  96           HB3      ARG  96 -12.970  17.237   7.067
  737    HG2  ARG  96           HG2      ARG  96 -13.525  17.272   9.589
  738    HG3  ARG  96           HG3      ARG  96 -12.511  18.716   9.686
  739    HD2  ARG  96           HD2      ARG  96 -14.973  18.388   7.904
  740    HD3  ARG  96           HD3      ARG  96 -14.974  19.129   9.486
  741    HE   ARG  96           HE       ARG  96 -13.575  20.913   8.703
  742   HH11  ARG  96          HH11      ARG  96 -15.055  18.998   6.059
  743   HH12  ARG  96          HH12      ARG  96 -15.090  20.337   4.966
  744   HH21  ARG  96          HH21      ARG  96 -13.738  22.680   7.252
  745   HH22  ARG  96          HH22      ARG  96 -14.341  22.442   5.655
  746    H    ILE  97           H        ILE  97  -8.978  16.805   7.189
  747    HA   ILE  97           HA       ILE  97  -9.675  15.150   4.851
  748    HB   ILE  97           HB       ILE  97  -8.862  17.535   4.782
  749   HG12  ILE  97          HG12      ILE  97  -7.436  15.446   3.117
  750   HG13  ILE  97          HG13      ILE  97  -8.983  16.190   2.742
  751   HG21  ILE  97          HG21      ILE  97  -6.771  18.151   4.940
  752   HG22  ILE  97          HG22      ILE  97  -6.744  17.016   6.319
  753   HG23  ILE  97          HG23      ILE  97  -6.025  16.554   4.733
  754   HD11  ILE  97          HD11      ILE  97  -7.637  18.430   2.912
  755   HD12  ILE  97          HD12      ILE  97  -6.204  17.398   2.632
  756   HD13  ILE  97          HD13      ILE  97  -7.505  17.447   1.442
  757    H    ARG  98           H        ARG  98  -8.270  13.549   3.951
  758    HA   ARG  98           HA       ARG  98  -5.797  12.910   5.378
  759    HB2  ARG  98           HB2      ARG  98  -7.732  10.751   4.572
  760    HB3  ARG  98           HB3      ARG  98  -6.150  10.528   5.318
  761    HG2  ARG  98           HG2      ARG  98  -7.602  10.046   7.073
  762    HG3  ARG  98           HG3      ARG  98  -7.335  11.765   7.371
  763    HD2  ARG  98           HD2      ARG  98  -9.456  12.200   5.967
  764    HD3  ARG  98           HD3      ARG  98  -9.627  10.467   5.805
  765    HE   ARG  98           HE       ARG  98 -10.650  10.423   7.843
  766   HH11  ARG  98          HH11      ARG  98  -8.542  13.307   7.916
  767   HH12  ARG  98          HH12      ARG  98  -9.128  13.872   9.416
  768   HH21  ARG  98          HH21      ARG  98 -11.557  11.291   9.798
  769   HH22  ARG  98          HH22      ARG  98 -10.968  12.789  10.424
  770    H    ALA  99           H        ALA  99  -4.293  11.986   3.956
  771    HA   ALA  99           HA       ALA  99  -4.461  12.541   1.178
  772    HB1  ALA  99           HB1      ALA  99  -2.323  11.620   1.052
  773    HB2  ALA  99           HB2      ALA  99  -2.458  12.210   2.732
  774    HB3  ALA  99           HB3      ALA  99  -2.707  10.483   2.444
  775    H    TYR 100           H        TYR 100  -4.330  11.105  -0.573
  776    HA   TYR 100           HA       TYR 100  -6.580   9.391  -0.566
  777    HB2  TYR 100           HB2      TYR 100  -4.896  10.462  -2.487
  778    HB3  TYR 100           HB3      TYR 100  -4.642   8.738  -2.644
  779    HD1  TYR 100           HD1      TYR 100  -7.627  11.027  -2.187
  780    HD2  TYR 100           HD2      TYR 100  -5.941   7.594  -4.196
  781    HE1  TYR 100           HE1      TYR 100  -9.696  10.790  -3.525
  782    HE2  TYR 100           HE2      TYR 100  -8.019   7.335  -5.501
  783    HH   TYR 100           HH       TYR 100 -10.161   8.169  -5.941
  784    H    ASN 101           H        ASN 101  -6.811   7.438   0.390
  785    HA   ASN 101           HA       ASN 101  -5.069   5.299  -0.421
  786    HB2  ASN 101           HB2      ASN 101  -4.155   4.545   1.652
  787    HB3  ASN 101           HB3      ASN 101  -3.701   6.215   1.471
  788   HD21  ASN 101          HD21      ASN 101  -4.706   7.845   2.805
  789   HD22  ASN 101          HD22      ASN 101  -5.418   7.373   4.319
  790    H    GLU 102           H        GLU 102  -5.576   3.198   0.774
  791    HA   GLU 102           HA       GLU 102  -8.107   2.471  -0.068
  792    HB2  GLU 102           HB2      GLU 102  -6.024   1.066   0.146
  793    HB3  GLU 102           HB3      GLU 102  -6.312   0.972   1.893
  794    HG2  GLU 102           HG2      GLU 102  -8.466  -0.161   1.504
  795    HG3  GLU 102           HG3      GLU 102  -8.300   0.047  -0.239
  796    H    GLU 103           H        GLU 103  -7.093   3.313   3.281
  797    HA   GLU 103           HA       GLU 103  -9.548   2.345   4.475
  798    HB2  GLU 103           HB2      GLU 103  -7.956   2.472   6.053
  799    HB3  GLU 103           HB3      GLU 103  -7.114   3.816   5.324
  800    HG2  GLU 103           HG2      GLU 103  -8.634   5.431   6.238
  801    HG3  GLU 103           HG3      GLU 103  -9.724   4.154   6.827
  802    H    ASN 104           H        ASN 104  -8.693   5.238   2.649
  803    HA   ASN 104           HA       ASN 104 -11.038   6.704   3.719
  804    HB2  ASN 104           HB2      ASN 104  -9.006   7.519   1.634
  805    HB3  ASN 104           HB3      ASN 104 -10.322   8.521   2.257
  806   HD21  ASN 104          HD21      ASN 104  -7.256   8.801   2.423
  807   HD22  ASN 104          HD22      ASN 104  -6.975   8.968   4.116
  808    H    ILE 105           H        ILE 105  -9.984   4.760   1.001
  809    HA   ILE 105           HA       ILE 105 -12.362   5.251  -0.598
  810    HB   ILE 105           HB       ILE 105 -10.041   3.365  -0.452
  811   HG12  ILE 105          HG12      ILE 105  -9.150   4.615  -2.091
  812   HG13  ILE 105          HG13      ILE 105 -10.696   4.746  -2.970
  813   HG21  ILE 105          HG21      ILE 105 -12.408   3.110  -2.265
  814   HG22  ILE 105          HG22      ILE 105 -10.818   2.338  -2.577
  815   HG23  ILE 105          HG23      ILE 105 -11.739   1.926  -1.113
  816   HD11  ILE 105          HD11      ILE 105 -11.291   6.777  -1.674
  817   HD12  ILE 105          HD12      ILE 105  -9.752   6.644  -0.783
  818   HD13  ILE 105          HD13      ILE 105  -9.739   6.941  -2.509
  819    H    ALA 106           H        ALA 106 -11.486   3.115   2.111
  820    HA   ALA 106           HA       ALA 106 -13.845   1.487   1.868
  821    HB1  ALA 106           HB1      ALA 106 -12.150   2.085   4.329
  822    HB2  ALA 106           HB2      ALA 106 -13.227   0.699   4.080
  823    HB3  ALA 106           HB3      ALA 106 -11.756   0.890   3.085
  824    H    MET 107           H        MET 107 -12.994   4.448   3.731
  825    HA   MET 107           HA       MET 107 -15.651   4.832   4.733
  826    HB2  MET 107           HB2      MET 107 -14.899   6.717   5.751
  827    HB3  MET 107           HB3      MET 107 -13.329   6.022   5.299
  828    HG2  MET 107           HG2      MET 107 -13.742   7.601   3.177
  829    HG3  MET 107           HG3      MET 107 -14.766   8.440   4.314
  830    HE1  MET 107           HE1      MET 107 -12.757  10.686   4.087
  831    HE2  MET 107           HE2      MET 107 -11.150  10.074   3.661
  832    HE3  MET 107           HE3      MET 107 -12.583   9.472   2.760
  833    H    LYS 108           H        LYS 108 -14.098   5.975   1.665
  834    HA   LYS 108           HA       LYS 108 -16.157   7.475   0.690
  835    HB2  LYS 108           HB2      LYS 108 -14.049   7.229  -0.602
  836    HB3  LYS 108           HB3      LYS 108 -14.409   5.555  -0.899
  837    HG2  LYS 108           HG2      LYS 108 -14.845   6.765  -2.909
  838    HG3  LYS 108           HG3      LYS 108 -16.283   6.004  -2.306
  839    HD2  LYS 108           HD2      LYS 108 -17.313   7.971  -2.743
  840    HD3  LYS 108           HD3      LYS 108 -16.634   8.529  -1.232
  841    HE2  LYS 108           HE2      LYS 108 -15.900  10.182  -2.675
  842    HE3  LYS 108           HE3      LYS 108 -14.492   9.097  -2.702
  843    HZ1  LYS 108           HZ1      LYS 108 -15.226   8.261  -4.815
  844    HZ2  LYS 108           HZ2      LYS 108 -16.646   9.089  -4.742
  845    HZ3  LYS 108           HZ3      LYS 108 -15.245   9.916  -4.884
  846    H    LYS 109           H        LYS 109 -15.632   3.985  -0.093
  847    HA   LYS 109           HA       LYS 109 -18.067   3.752  -1.478
  848    HB2  LYS 109           HB2      LYS 109 -17.535   1.483  -1.779
  849    HB3  LYS 109           HB3      LYS 109 -15.978   2.317  -1.636
  850    HG2  LYS 109           HG2      LYS 109 -15.819   1.565   0.703
  851    HG3  LYS 109           HG3      LYS 109 -17.289   0.590   0.463
  852    HD2  LYS 109           HD2      LYS 109 -16.211  -0.652  -1.368
  853    HD3  LYS 109           HD3      LYS 109 -14.831   0.465  -1.365
  854    HE2  LYS 109           HE2      LYS 109 -14.058  -1.417  -0.268
  855    HE3  LYS 109           HE3      LYS 109 -14.332  -0.143   0.931
  856    HZ1  LYS 109           HZ1      LYS 109 -15.126  -2.325   1.702
  857    HZ2  LYS 109           HZ2      LYS 109 -16.391  -1.304   1.567
  858    HZ3  LYS 109           HZ3      LYS 109 -16.134  -2.458   0.433
  859    H    ARG 110           H        ARG 110 -17.395   3.114   1.974
  860    HA   ARG 110           HA       ARG 110 -19.939   1.947   2.593
  861    HB2  ARG 110           HB2      ARG 110 -17.985   1.795   4.036
  862    HB3  ARG 110           HB3      ARG 110 -17.962   3.539   4.297
  863    HG2  ARG 110           HG2      ARG 110 -20.432   1.945   5.046
  864    HG3  ARG 110           HG3      ARG 110 -18.995   1.875   6.076
  865    HD2  ARG 110           HD2      ARG 110 -18.979   4.313   6.308
  866    HD3  ARG 110           HD3      ARG 110 -20.449   4.439   5.319
  867    HE   ARG 110           HE       ARG 110 -21.055   2.633   7.353
  868   HH11  ARG 110          HH11      ARG 110 -20.101   6.057   7.204
  869   HH12  ARG 110          HH12      ARG 110 -20.964   6.501   8.633
  870   HH21  ARG 110          HH21      ARG 110 -22.182   3.227   9.277
  871   HH22  ARG 110          HH22      ARG 110 -22.151   4.857   9.841
  872    H    LEU 111           H        LEU 111 -18.833   5.425   2.620
  873    HA   LEU 111           HA       LEU 111 -21.415   6.395   3.497
  874    HB2  LEU 111           HB2      LEU 111 -19.259   7.764   1.869
  875    HB3  LEU 111           HB3      LEU 111 -20.646   8.516   2.656
  876    HG   LEU 111           HG       LEU 111 -18.691   7.032   4.392
  877   HD11  LEU 111          HD11      LEU 111 -17.429   8.506   2.794
  878   HD12  LEU 111          HD12      LEU 111 -18.314   9.898   3.425
  879   HD13  LEU 111          HD13      LEU 111 -17.239   8.950   4.484
  880   HD21  LEU 111          HD21      LEU 111 -20.506   9.451   4.738
  881   HD22  LEU 111          HD22      LEU 111 -20.795   7.826   5.356
  882   HD23  LEU 111          HD23      LEU 111 -19.441   8.782   5.996
  883    H    ALA 112           H        ALA 112 -19.870   6.011   0.304
  884    HA   ALA 112           HA       ALA 112 -21.863   7.199  -1.235
  885    HB1  ALA 112           HB1      ALA 112 -20.942   5.942  -3.131
  886    HB2  ALA 112           HB2      ALA 112 -19.663   6.606  -2.099
  887    HB3  ALA 112           HB3      ALA 112 -20.074   4.868  -2.015
  888    H    ASN 113           H        ASN 113 -22.175   4.161   0.487
  889    HA   ASN 113           HA       ASN 113 -24.392   3.170  -1.087
  890    HB2  ASN 113           HB2      ASN 113 -24.345   1.445   0.279
  891    HB3  ASN 113           HB3      ASN 113 -22.924   2.139   1.033
  892   HD21  ASN 113          HD21      ASN 113 -23.231   3.307   3.091
  893   HD22  ASN 113          HD22      ASN 113 -24.644   2.991   4.076
  894    H    LEU 114           H        LEU 114 -24.104   5.711   1.345
  895    HA   LEU 114           HA       LEU 114 -26.941   5.987   1.884
  896    HB2  LEU 114           HB2      LEU 114 -25.219   6.624   3.529
  897    HB3  LEU 114           HB3      LEU 114 -24.602   7.837   2.403
  898    HG   LEU 114           HG       LEU 114 -26.720   9.084   2.498
  899   HD11  LEU 114          HD11      LEU 114 -28.345   8.542   4.326
  900   HD12  LEU 114          HD12      LEU 114 -28.307   7.305   3.062
  901   HD13  LEU 114          HD13      LEU 114 -27.478   7.014   4.609
  902   HD21  LEU 114          HD21      LEU 114 -26.342   9.961   4.760
  903   HD22  LEU 114          HD22      LEU 114 -25.396   8.511   5.176
  904   HD23  LEU 114          HD23      LEU 114 -24.827   9.625   3.906
  905    H    GLU 115           H        GLU 115 -24.505   7.653  -0.049
  906    HA   GLU 115           HA       GLU 115 -25.815   9.826  -1.050
  907    HB2  GLU 115           HB2      GLU 115 -23.459   9.265  -1.494
  908    HB3  GLU 115           HB3      GLU 115 -23.953   8.018  -2.640
  909    HG2  GLU 115           HG2      GLU 115 -25.029   9.750  -4.067
  910    HG3  GLU 115           HG3      GLU 115 -24.591  10.994  -2.894
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1   1.757  -0.171  -3.024
    2    H2   MET   1           H2       MET   1   2.171   0.811  -4.272
    3    H3   MET   1           H3       MET   1   3.219  -0.345  -3.744
    4    HA   MET   1           HA       MET   1   3.448   0.753  -1.627
    5    HB2  MET   1           HB2      MET   1   5.054   1.252  -3.434
    6    HB3  MET   1           HB3      MET   1   4.027   2.566  -4.017
    7    HG2  MET   1           HG2      MET   1   4.328   3.761  -1.874
    8    HG3  MET   1           HG3      MET   1   5.307   2.427  -1.256
    9    HE1  MET   1           HE1      MET   1   7.864   5.391  -1.723
   10    HE2  MET   1           HE2      MET   1   6.152   5.524  -1.267
   11    HE3  MET   1           HE3      MET   1   7.164   4.231  -0.577
   12    H    VAL   2           H        VAL   2   1.964   1.531  -0.191
   13    HA   VAL   2           HA       VAL   2   0.384   3.960  -0.910
   14    HB   VAL   2           HB       VAL   2  -1.570   2.885   0.248
   15   HG11  VAL   2          HG11      VAL   2  -0.745   1.515  -2.341
   16   HG12  VAL   2          HG12      VAL   2  -2.387   1.715  -1.713
   17   HG13  VAL   2          HG13      VAL   2  -1.465   3.135  -2.211
   18   HG21  VAL   2          HG21      VAL   2  -0.385   0.997   1.358
   19   HG22  VAL   2          HG22      VAL   2  -1.766   0.476   0.386
   20   HG23  VAL   2          HG23      VAL   2  -0.116   0.243  -0.229
   21    H    ASP   3           H        ASP   3   2.271   2.291   1.463
   22    HA   ASP   3           HA       ASP   3   1.035   3.165   3.812
   23    HB2  ASP   3           HB2      ASP   3   2.754   1.413   3.753
   24    HB3  ASP   3           HB3      ASP   3   3.972   2.597   3.290
   25    H    LEU   4           H        LEU   4   3.542   4.826   1.916
   26    HA   LEU   4           HA       LEU   4   3.630   7.116   3.753
   27    HB2  LEU   4           HB2      LEU   4   4.678   6.680   0.939
   28    HB3  LEU   4           HB3      LEU   4   4.979   8.127   1.900
   29    HG   LEU   4           HG       LEU   4   5.976   5.312   2.486
   30   HD11  LEU   4          HD11      LEU   4   7.471   7.897   1.877
   31   HD12  LEU   4          HD12      LEU   4   8.184   6.296   2.145
   32   HD13  LEU   4          HD13      LEU   4   7.178   6.586   0.719
   33   HD21  LEU   4          HD21      LEU   4   5.493   6.328   4.656
   34   HD22  LEU   4          HD22      LEU   4   7.234   6.344   4.392
   35   HD23  LEU   4          HD23      LEU   4   6.294   7.842   4.172
   36    H    GLU   5           H        GLU   5   1.709   6.149   0.969
   37    HA   GLU   5           HA       GLU   5   0.902   8.795   0.155
   38    HB2  GLU   5           HB2      GLU   5   0.834   6.458  -1.105
   39    HB3  GLU   5           HB3      GLU   5  -0.718   6.276  -0.294
   40    HG2  GLU   5           HG2      GLU   5  -1.187   7.150  -2.440
   41    HG3  GLU   5           HG3      GLU   5  -1.421   8.494  -1.343
   42    H    GLN   6           H        GLN   6  -0.001   6.737   2.829
   43    HA   GLN   6           HA       GLN   6  -2.575   7.690   3.384
   44    HB2  GLN   6           HB2      GLN   6  -1.108   5.697   4.280
   45    HB3  GLN   6           HB3      GLN   6  -0.480   6.890   5.428
   46    HG2  GLN   6           HG2      GLN   6  -2.834   7.299   6.182
   47    HG3  GLN   6           HG3      GLN   6  -3.357   6.111   4.981
   48   HE21  GLN   6          HE21      GLN   6  -3.761   4.086   5.808
   49   HE22  GLN   6          HE22      GLN   6  -2.965   3.389   7.202
   50    H    GLU   7           H        GLU   7   0.616   9.174   3.871
   51    HA   GLU   7           HA       GLU   7  -0.278  11.159   5.842
   52    HB2  GLU   7           HB2      GLU   7   2.225  10.977   4.062
   53    HB3  GLU   7           HB3      GLU   7   1.925  12.194   5.296
   54    HG2  GLU   7           HG2      GLU   7   1.773  10.413   7.036
   55    HG3  GLU   7           HG3      GLU   7   2.248   9.215   5.827
   56    H    PHE   8           H        PHE   8  -0.634  13.347   5.269
   57    HA   PHE   8           HA       PHE   8  -1.686  14.037   2.718
   58    HB2  PHE   8           HB2      PHE   8  -1.387  16.299   3.256
   59    HB3  PHE   8           HB3      PHE   8  -1.886  15.519   4.755
   60    HD1  PHE   8           HD1      PHE   8  -0.072  15.076   6.551
   61    HD2  PHE   8           HD2      PHE   8   0.793  17.251   2.939
   62    HE1  PHE   8           HE1      PHE   8   1.953  16.050   7.624
   63    HE2  PHE   8           HE2      PHE   8   2.820  18.226   4.009
   64    HZ   PHE   8           HZ       PHE   8   3.395  17.630   6.356
   65    H    ALA   9           H        ALA   9  -0.741  14.664   0.857
   66    HA   ALA   9           HA       ALA   9   2.261  14.590   0.782
   67    HB1  ALA   9           HB1      ALA   9   0.076  13.242  -0.787
   68    HB2  ALA   9           HB2      ALA   9   1.794  13.243  -1.305
   69    HB3  ALA   9           HB3      ALA   9   1.307  12.494   0.257
   70    H    LEU  10           H        LEU  10   3.241  15.661  -0.926
   71    HA   LEU  10           HA       LEU  10   2.034  18.250  -1.427
   72    HB2  LEU  10           HB2      LEU  10   4.735  17.018  -1.835
   73    HB3  LEU  10           HB3      LEU  10   4.279  18.400  -2.825
   74    HG   LEU  10           HG       LEU  10   5.556  18.910  -0.674
   75   HD11  LEU  10          HD11      LEU  10   4.458  20.546  -2.081
   76   HD12  LEU  10          HD12      LEU  10   2.908  20.318  -1.240
   77   HD13  LEU  10          HD13      LEU  10   4.318  21.005  -0.386
   78   HD21  LEU  10          HD21      LEU  10   2.814  18.505   0.622
   79   HD22  LEU  10          HD22      LEU  10   4.233  17.469   0.864
   80   HD23  LEU  10          HD23      LEU  10   4.278  19.165   1.386
   81    H    GLY  11           H        GLY  11   0.338  17.665  -2.476
   82    HA2  GLY  11           HA2      GLY  11  -0.868  17.844  -4.484
   83    HA3  GLY  11           HA3      GLY  11   0.533  17.273  -5.423
   84    H    GLY  12           H        GLY  12  -0.694  15.771  -2.334
   85    HA2  GLY  12           HA2      GLY  12  -1.258  13.273  -3.782
   86    HA3  GLY  12           HA3      GLY  12  -1.516  13.625  -2.053
   87    H    ARG  13           H        ARG  13  -3.515  12.454  -3.213
   88    HA   ARG  13           HA       ARG  13  -5.558  14.539  -3.859
   89    HB2  ARG  13           HB2      ARG  13  -5.350  11.545  -4.330
   90    HB3  ARG  13           HB3      ARG  13  -6.924  12.298  -3.999
   91    HG2  ARG  13           HG2      ARG  13  -6.799  13.596  -5.995
   92    HG3  ARG  13           HG3      ARG  13  -5.129  13.050  -6.331
   93    HD2  ARG  13           HD2      ARG  13  -5.776  10.859  -6.787
   94    HD3  ARG  13           HD3      ARG  13  -7.177  10.926  -5.749
   95    HE   ARG  13           HE       ARG  13  -6.993  11.889  -8.557
   96   HH11  ARG  13          HH11      ARG  13  -9.041  11.290  -5.716
   97   HH12  ARG  13          HH12      ARG  13 -10.535  11.602  -6.550
   98   HH21  ARG  13          HH21      ARG  13  -9.014  12.186  -9.687
   99   HH22  ARG  13          HH22      ARG  13 -10.500  12.050  -8.817
  100    H    CYS  14           H        CYS  14  -7.363  14.191  -2.378
  101    HA   CYS  14           HA       CYS  14  -6.866  12.639   0.076
  102    HB2  CYS  14           HB2      CYS  14  -7.503  14.975   1.240
  103    HB3  CYS  14           HB3      CYS  14  -5.835  14.524   0.917
  104    HG   CYS  14           HG       CYS  14  -6.325  17.056   0.433
  105    H    LEU  15           H        LEU  15  -8.734  13.335   1.637
  106    HA   LEU  15           HA       LEU  15 -11.369  13.454   0.244
  107    HB2  LEU  15           HB2      LEU  15 -10.516  11.480   2.433
  108    HB3  LEU  15           HB3      LEU  15 -12.134  11.742   1.850
  109    HG   LEU  15           HG       LEU  15 -11.505   9.770   0.986
  110   HD11  LEU  15          HD11      LEU  15 -10.862  11.521  -1.416
  111   HD12  LEU  15          HD12      LEU  15 -11.655   9.933  -1.380
  112   HD13  LEU  15          HD13      LEU  15 -12.469  11.375  -0.747
  113   HD21  LEU  15          HD21      LEU  15  -9.472   9.090   0.057
  114   HD22  LEU  15          HD22      LEU  15  -8.909  10.754  -0.189
  115   HD23  LEU  15          HD23      LEU  15  -9.040  10.079   1.452
  116    H    ALA  16           H        ALA  16 -12.682  14.812   1.467
  117    HA   ALA  16           HA       ALA  16 -11.790  15.399   4.231
  118    HB1  ALA  16           HB1      ALA  16 -12.276  17.848   3.864
  119    HB2  ALA  16           HB2      ALA  16 -10.807  17.258   3.097
  120    HB3  ALA  16           HB3      ALA  16 -12.264  17.516   2.112
  121    H    PHE  17           H        PHE  17 -13.233  15.229   5.616
  122    HA   PHE  17           HA       PHE  17 -15.868  14.300   4.866
  123    HB2  PHE  17           HB2      PHE  17 -14.038  14.003   7.089
  124    HB3  PHE  17           HB3      PHE  17 -15.572  14.576   7.706
  125    HD1  PHE  17           HD1      PHE  17 -17.721  13.242   6.587
  126    HD2  PHE  17           HD2      PHE  17 -13.688  11.738   7.006
  127    HE1  PHE  17           HE1      PHE  17 -18.566  10.953   6.637
  128    HE2  PHE  17           HE2      PHE  17 -14.595   9.414   7.042
  129    HZ   PHE  17           HZ       PHE  17 -17.010   9.025   6.931
  130    H    HIS  18           H        HIS  18 -17.830  15.223   5.554
  131    HA   HIS  18           HA       HIS  18 -17.761  18.064   6.521
  132    HB2  HIS  18           HB2      HIS  18 -19.560  16.778   4.426
  133    HB3  HIS  18           HB3      HIS  18 -19.980  18.259   5.275
  134    HD2  HIS  18           HD2      HIS  18 -17.346  16.937   2.752
  135    HE1  HIS  18           HE1      HIS  18 -17.258  21.196   2.588
  136    HE2  HIS  18           HE2      HIS  18 -16.385  19.060   1.535
  137    H    GLY  19           H        GLY  19 -19.669  15.007   6.363
  138    HA2  GLY  19           HA2      GLY  19 -20.194  14.443   8.906
  139    HA3  GLY  19           HA3      GLY  19 -21.272  15.832   8.718
  140    HA   PRO  20           HA       PRO  20 -24.306  13.374   6.475
  141    HB2  PRO  20           HB2      PRO  20 -23.857  15.049   4.013
  142    HB3  PRO  20           HB3      PRO  20 -25.394  14.594   4.809
  143    HG2  PRO  20           HG2      PRO  20 -24.348  17.097   5.127
  144    HG3  PRO  20           HG3      PRO  20 -25.094  16.238   6.515
  145    HD2  PRO  20           HD2      PRO  20 -22.163  16.535   5.841
  146    HD3  PRO  20           HD3      PRO  20 -22.976  16.656   7.431
  147    H    LEU  21           H        LEU  21 -21.485  14.404   4.530
  148    HA   LEU  21           HA       LEU  21 -20.774  11.671   3.964
  149    HB2  LEU  21           HB2      LEU  21 -22.280  13.033   1.973
  150    HB3  LEU  21           HB3      LEU  21 -20.634  13.314   1.465
  151    HG   LEU  21           HG       LEU  21 -20.592  10.659   2.216
  152   HD11  LEU  21          HD11      LEU  21 -23.022  10.621   2.488
  153   HD12  LEU  21          HD12      LEU  21 -23.207  11.175   0.792
  154   HD13  LEU  21          HD13      LEU  21 -22.550   9.560   1.171
  155   HD21  LEU  21          HD21      LEU  21 -20.868  11.748  -0.560
  156   HD22  LEU  21          HD22      LEU  21 -19.417  11.104   0.271
  157   HD23  LEU  21          HD23      LEU  21 -20.674  10.000  -0.204
  158    H    MET  22           H        MET  22 -18.795  12.057   2.170
  159    HA   MET  22           HA       MET  22 -16.973  14.166   3.153
  160    HB2  MET  22           HB2      MET  22 -16.117  12.100   4.061
  161    HB3  MET  22           HB3      MET  22 -16.540  11.198   2.614
  162    HG2  MET  22           HG2      MET  22 -14.370  13.300   2.685
  163    HG3  MET  22           HG3      MET  22 -14.142  11.590   2.920
  164    HE1  MET  22           HE1      MET  22 -14.386   9.903  -0.309
  165    HE2  MET  22           HE2      MET  22 -14.079   9.803   1.428
  166    HE3  MET  22           HE3      MET  22 -15.760  10.034   0.834
  167    H    TYR  23           H        TYR  23 -15.575  14.842   1.326
  168    HA   TYR  23           HA       TYR  23 -16.462  13.954  -1.319
  169    HB2  TYR  23           HB2      TYR  23 -16.426  16.893  -0.580
  170    HB3  TYR  23           HB3      TYR  23 -16.674  16.231  -2.193
  171    HD1  TYR  23           HD1      TYR  23 -18.616  14.141  -2.038
  172    HD2  TYR  23           HD2      TYR  23 -18.443  17.749   0.327
  173    HE1  TYR  23           HE1      TYR  23 -21.000  13.833  -1.405
  174    HE2  TYR  23           HE2      TYR  23 -20.838  17.486   0.899
  175    HH   TYR  23           HH       TYR  23 -22.773  14.668  -0.251
  176    H    GLU  24           H        GLU  24 -14.866  14.310  -2.902
  177    HA   GLU  24           HA       GLU  24 -12.253  13.675  -1.844
  178    HB2  GLU  24           HB2      GLU  24 -13.510  14.125  -4.575
  179    HB3  GLU  24           HB3      GLU  24 -11.740  14.081  -4.440
  180    HG2  GLU  24           HG2      GLU  24 -11.679  11.895  -3.700
  181    HG3  GLU  24           HG3      GLU  24 -13.387  11.865  -3.222
  182    H    ALA  25           H        ALA  25 -10.333  14.767  -2.128
  183    HA   ALA  25           HA       ALA  25 -10.546  17.674  -2.312
  184    HB1  ALA  25           HB1      ALA  25  -9.348  16.069  -0.006
  185    HB2  ALA  25           HB2      ALA  25  -9.051  17.789  -0.259
  186    HB3  ALA  25           HB3      ALA  25 -10.688  17.208   0.051
  187    H    LYS  26           H        LYS  26  -8.255  18.585  -2.784
  188    HA   LYS  26           HA       LYS  26  -6.239  16.588  -3.568
  189    HB2  LYS  26           HB2      LYS  26  -7.752  17.073  -5.592
  190    HB3  LYS  26           HB3      LYS  26  -7.175  18.727  -5.504
  191    HG2  LYS  26           HG2      LYS  26  -4.769  17.594  -5.588
  192    HG3  LYS  26           HG3      LYS  26  -5.681  16.165  -6.119
  193    HD2  LYS  26           HD2      LYS  26  -4.825  17.409  -8.031
  194    HD3  LYS  26           HD3      LYS  26  -6.604  17.472  -8.018
  195    HE2  LYS  26           HE2      LYS  26  -6.616  19.740  -7.216
  196    HE3  LYS  26           HE3      LYS  26  -4.906  19.656  -6.765
  197    HZ1  LYS  26           HZ1      LYS  26  -5.212  20.901  -8.801
  198    HZ2  LYS  26           HZ2      LYS  26  -4.297  19.602  -9.038
  199    HZ3  LYS  26           HZ3      LYS  26  -5.877  19.591  -9.562
  200    H    ILE  27           H        ILE  27  -4.691  17.313  -2.176
  201    HA   ILE  27           HA       ILE  27  -4.577  19.947  -1.079
  202    HB   ILE  27           HB       ILE  27  -2.576  17.640  -1.175
  203   HG12  ILE  27          HG12      ILE  27  -3.604  18.268   1.488
  204   HG13  ILE  27          HG13      ILE  27  -4.903  17.932   0.443
  205   HG21  ILE  27          HG21      ILE  27  -1.355  19.737  -0.704
  206   HG22  ILE  27          HG22      ILE  27  -2.532  20.166   0.567
  207   HG23  ILE  27          HG23      ILE  27  -1.453  18.773   0.762
  208   HD11  ILE  27          HD11      ILE  27  -3.814  15.659  -0.037
  209   HD12  ILE  27          HD12      ILE  27  -2.477  16.122   1.010
  210   HD13  ILE  27          HD13      ILE  27  -4.133  15.989   1.712
  211    H    LEU  28           H        LEU  28  -3.596  21.776  -1.909
  212    HA   LEU  28           HA       LEU  28  -1.304  21.460  -3.802
  213    HB2  LEU  28           HB2      LEU  28  -3.269  22.211  -4.951
  214    HB3  LEU  28           HB3      LEU  28  -3.703  23.359  -3.699
  215    HG   LEU  28           HG       LEU  28  -1.165  23.734  -5.346
  216   HD11  LEU  28          HD11      LEU  28  -3.080  23.422  -6.808
  217   HD12  LEU  28          HD12      LEU  28  -4.048  24.563  -5.853
  218   HD13  LEU  28          HD13      LEU  28  -2.647  25.146  -6.805
  219   HD21  LEU  28          HD21      LEU  28  -1.670  26.184  -4.926
  220   HD22  LEU  28          HD22      LEU  28  -2.956  25.715  -3.796
  221   HD23  LEU  28          HD23      LEU  28  -1.264  25.328  -3.471
  222    H    LYS  29           H        LYS  29  -2.853  23.812  -1.563
  223    HA   LYS  29           HA       LYS  29  -0.110  24.774  -0.926
  224    HB2  LYS  29           HB2      LYS  29  -2.388  26.221  -1.567
  225    HB3  LYS  29           HB3      LYS  29  -2.465  26.219   0.195
  226    HG2  LYS  29           HG2      LYS  29  -0.621  27.541   0.439
  227    HG3  LYS  29           HG3      LYS  29   0.167  26.889  -0.990
  228    HD2  LYS  29           HD2      LYS  29  -0.389  29.199  -1.404
  229    HD3  LYS  29           HD3      LYS  29  -1.311  28.136  -2.481
  230    HE2  LYS  29           HE2      LYS  29  -3.246  28.277  -0.843
  231    HE3  LYS  29           HE3      LYS  29  -2.266  29.467   0.072
  232    HZ1  LYS  29           HZ1      LYS  29  -2.275  30.875  -1.904
  233    HZ2  LYS  29           HZ2      LYS  29  -3.258  29.813  -2.694
  234    HZ3  LYS  29           HZ3      LYS  29  -3.781  30.595  -1.355
  235    H    ILE  30           H        ILE  30   0.598  24.517   1.238
  236    HA   ILE  30           HA       ILE  30  -1.407  23.441   3.083
  237    HB   ILE  30           HB       ILE  30  -0.020  21.828   4.085
  238   HG12  ILE  30          HG12      ILE  30   2.242  22.843   3.530
  239   HG13  ILE  30          HG13      ILE  30   2.095  21.093   3.488
  240   HG21  ILE  30          HG21      ILE  30  -0.221  21.328   1.096
  241   HG22  ILE  30          HG22      ILE  30  -0.136  20.109   2.387
  242   HG23  ILE  30          HG23      ILE  30  -1.512  21.252   2.277
  243   HD11  ILE  30          HD11      ILE  30   1.906  22.812   1.003
  244   HD12  ILE  30          HD12      ILE  30   3.392  22.029   1.590
  245   HD13  ILE  30          HD13      ILE  30   1.991  21.043   1.096
  246    H    TRP  31           H        TRP  31  -0.691  23.488   5.149
  247    HA   TRP  31           HA       TRP  31   0.914  25.916   5.883
  248    HB2  TRP  31           HB2      TRP  31  -0.991  27.113   5.512
  249    HB3  TRP  31           HB3      TRP  31  -2.054  25.786   5.790
  250    HD1  TRP  31           HD1      TRP  31  -2.060  25.126   8.711
  251    HE1  TRP  31           HE1      TRP  31  -2.661  26.764  10.550
  252    HE3  TRP  31           HE3      TRP  31  -1.044  29.491   6.227
  253    HZ2  TRP  31           HZ2      TRP  31  -2.567  29.634  10.949
  254    HZ3  TRP  31           HZ3      TRP  31  -1.347  31.668   7.378
  255    HH2  TRP  31           HH2      TRP  31  -2.105  31.743   9.747
  256    H    ASP  32           H        ASP  32   1.344  26.159   8.099
  257    HA   ASP  32           HA       ASP  32   1.052  23.772   9.737
  258    HB2  ASP  32           HB2      ASP  32   3.059  23.396   8.337
  259    HB3  ASP  32           HB3      ASP  32   3.738  24.928   8.926
  260    HA   PRO  33           HA       PRO  33   0.517  27.439  12.244
  261    HB2  PRO  33           HB2      PRO  33   0.078  26.234  14.704
  262    HB3  PRO  33           HB3      PRO  33  -1.117  26.322  13.383
  263    HG2  PRO  33           HG2      PRO  33   0.821  24.073  13.987
  264    HG3  PRO  33           HG3      PRO  33  -0.949  23.945  13.663
  265    HD2  PRO  33           HD2      PRO  33   0.867  23.419  11.815
  266    HD3  PRO  33           HD3      PRO  33  -0.632  24.313  11.380
  267    H    SER  34           H        SER  34   3.307  25.370  12.573
  268    HA   SER  34           HA       SER  34   4.459  26.687  14.886
  269    HB2  SER  34           HB2      SER  34   5.130  24.442  13.847
  270    HB3  SER  34           HB3      SER  34   5.967  25.379  12.592
  271    HG   SER  34           HG       SER  34   7.316  24.761  14.367
  272    H    SER  35           H        SER  35   4.557  27.184  11.317
  273    HA   SER  35           HA       SER  35   5.916  29.779  11.652
  274    HB2  SER  35           HB2      SER  35   4.767  28.488   9.144
  275    HB3  SER  35           HB3      SER  35   5.930  29.822   9.220
  276    HG   SER  35           HG       SER  35   7.456  28.376  10.088
  277    H    LYS  36           H        LYS  36   2.699  28.465  11.180
  278    HA   LYS  36           HA       LYS  36   0.690  29.309  10.856
  279    HB2  LYS  36           HB2      LYS  36   1.668  30.661  13.040
  280    HB3  LYS  36           HB3      LYS  36   1.170  32.007  12.057
  281    HG2  LYS  36           HG2      LYS  36  -1.100  31.386  12.071
  282    HG3  LYS  36           HG3      LYS  36  -0.757  29.680  12.377
  283    HD2  LYS  36           HD2      LYS  36  -0.337  31.878  14.437
  284    HD3  LYS  36           HD3      LYS  36  -1.760  30.816  14.330
  285    HE2  LYS  36           HE2      LYS  36  -0.234  28.821  14.474
  286    HE3  LYS  36           HE3      LYS  36   1.134  29.890  14.704
  287    HZ1  LYS  36           HZ1      LYS  36  -1.182  29.655  16.549
  288    HZ2  LYS  36           HZ2      LYS  36   0.327  29.091  16.823
  289    HZ3  LYS  36           HZ3      LYS  36   0.062  30.698  16.759
  290    H    MET  37           H        MET  37   2.327  29.356   8.791
  291    HA   MET  37           HA       MET  37   1.133  31.319   7.022
  292    HB2  MET  37           HB2      MET  37   4.127  30.862   7.281
  293    HB3  MET  37           HB3      MET  37   3.358  31.705   5.936
  294    HG2  MET  37           HG2      MET  37   2.414  33.355   7.633
  295    HG3  MET  37           HG3      MET  37   3.406  32.566   8.845
  296    HE1  MET  37           HE1      MET  37   6.948  33.274   6.808
  297    HE2  MET  37           HE2      MET  37   6.170  32.090   7.935
  298    HE3  MET  37           HE3      MET  37   5.724  32.140   6.236
  299    H    TYR  38           H        TYR  38   1.906  30.495   4.728
  300    HA   TYR  38           HA       TYR  38   1.261  27.607   4.738
  301    HB2  TYR  38           HB2      TYR  38   0.139  28.042   2.635
  302    HB3  TYR  38           HB3      TYR  38  -0.459  29.048   3.942
  303    HD1  TYR  38           HD1      TYR  38   0.070  31.380   4.112
  304    HD2  TYR  38           HD2      TYR  38   1.420  29.075   0.758
  305    HE1  TYR  38           HE1      TYR  38   0.543  33.481   2.841
  306    HE2  TYR  38           HE2      TYR  38   1.697  31.119  -0.587
  307    HH   TYR  38           HH       TYR  38   1.204  34.411   0.946
  308    H    THR  39           H        THR  39   1.739  27.079   2.038
  309    HA   THR  39           HA       THR  39   4.412  27.419   1.147
  310    HB   THR  39           HB       THR  39   4.494  24.656   1.674
  311    HG1  THR  39           HG1      THR  39   2.854  25.237   3.383
  312   HG21  THR  39          HG21      THR  39   6.346  25.283   3.278
  313   HG22  THR  39          HG22      THR  39   6.443  26.006   1.659
  314   HG23  THR  39          HG23      THR  39   5.876  26.990   3.016
  315    H    SER  40           H        SER  40   4.560  26.210  -0.919
  316    HA   SER  40           HA       SER  40   2.248  24.539  -1.733
  317    HB2  SER  40           HB2      SER  40   1.865  27.197  -2.062
  318    HB3  SER  40           HB3      SER  40   2.815  26.832  -3.513
  319    HG   SER  40           HG       SER  40   0.637  26.565  -3.924
  320    H    ILE  41           H        ILE  41   2.542  23.846  -4.018
  321    HA   ILE  41           HA       ILE  41   5.250  24.183  -5.077
  322    HB   ILE  41           HB       ILE  41   5.216  21.764  -5.835
  323   HG12  ILE  41          HG12      ILE  41   4.101  20.122  -4.429
  324   HG13  ILE  41          HG13      ILE  41   3.132  21.381  -3.659
  325   HG21  ILE  41          HG21      ILE  41   6.716  22.647  -4.155
  326   HG22  ILE  41          HG22      ILE  41   5.520  22.373  -2.885
  327   HG23  ILE  41          HG23      ILE  41   6.231  20.995  -3.764
  328   HD11  ILE  41          HD11      ILE  41   2.157  19.922  -5.614
  329   HD12  ILE  41          HD12      ILE  41   1.779  21.644  -5.514
  330   HD13  ILE  41          HD13      ILE  41   3.033  21.083  -6.647
  331    HA   PRO  42           HA       PRO  42   2.901  25.033  -8.794
  332    HB2  PRO  42           HB2      PRO  42   4.913  25.329 -10.570
  333    HB3  PRO  42           HB3      PRO  42   4.808  26.406  -9.145
  334    HG2  PRO  42           HG2      PRO  42   6.414  23.805  -9.355
  335    HG3  PRO  42           HG3      PRO  42   7.052  25.417  -8.954
  336    HD2  PRO  42           HD2      PRO  42   6.319  23.739  -6.973
  337    HD3  PRO  42           HD3      PRO  42   5.795  25.464  -6.863
  338    H    ASN  43           H        ASN  43   4.467  22.051  -8.171
  339    HA   ASN  43           HA       ASN  43   4.255  20.746 -10.706
  340    HB2  ASN  43           HB2      ASN  43   5.670  20.005  -8.754
  341    HB3  ASN  43           HB3      ASN  43   4.198  19.537  -7.908
  342   HD21  ASN  43          HD21      ASN  43   4.043  17.290  -7.975
  343   HD22  ASN  43          HD22      ASN  43   4.392  16.310  -9.381
  344    H    ASP  44           H        ASP  44   1.765  22.023  -8.923
  345    HA   ASP  44           HA       ASP  44  -0.242  20.298 -10.170
  346    HB2  ASP  44           HB2      ASP  44   0.034  19.365  -7.892
  347    HB3  ASP  44           HB3      ASP  44  -0.222  20.972  -7.199
  348    H    LYS  45           H        LYS  45  -2.423  21.470  -9.941
  349    HA   LYS  45           HA       LYS  45  -2.064  24.434 -10.153
  350    HB2  LYS  45           HB2      LYS  45  -3.468  22.461 -12.009
  351    HB3  LYS  45           HB3      LYS  45  -3.927  24.158 -11.956
  352    HG2  LYS  45           HG2      LYS  45  -1.696  24.867 -12.609
  353    HG3  LYS  45           HG3      LYS  45  -1.097  23.210 -12.538
  354    HD2  LYS  45           HD2      LYS  45  -1.529  23.984 -14.854
  355    HD3  LYS  45           HD3      LYS  45  -2.434  22.541 -14.415
  356    HE2  LYS  45           HE2      LYS  45  -3.768  24.090 -15.772
  357    HE3  LYS  45           HE3      LYS  45  -4.505  23.801 -14.198
  358    HZ1  LYS  45           HZ1      LYS  45  -3.862  25.955 -13.483
  359    HZ2  LYS  45           HZ2      LYS  45  -2.834  26.186 -14.747
  360    HZ3  LYS  45           HZ3      LYS  45  -4.451  26.185 -14.966
  361    HA   PRO  46           HA       PRO  46  -5.850  24.334  -7.658
  362    HB2  PRO  46           HB2      PRO  46  -6.812  26.863  -8.101
  363    HB3  PRO  46           HB3      PRO  46  -5.399  26.522  -7.051
  364    HG2  PRO  46           HG2      PRO  46  -5.444  27.486  -9.902
  365    HG3  PRO  46           HG3      PRO  46  -4.402  28.044  -8.563
  366    HD2  PRO  46           HD2      PRO  46  -3.606  26.227 -10.494
  367    HD3  PRO  46           HD3      PRO  46  -2.928  26.258  -8.847
  368    H    GLY  47           H        GLY  47  -8.260  25.388  -8.310
  369    HA2  GLY  47           HA2      GLY  47  -9.227  23.827 -10.524
  370    HA3  GLY  47           HA3      GLY  47 -10.104  24.960  -9.478
  371    H    GLY  48           H        GLY  48  -7.286  26.259 -11.074
  372    HA2  GLY  48           HA2      GLY  48  -8.294  27.137 -13.541
  373    HA3  GLY  48           HA3      GLY  48  -8.665  28.371 -12.316
  374    H    SER  49           H        SER  49  -7.214  29.868 -12.933
  375    HA   SER  49           HA       SER  49  -5.322  31.054 -13.186
  376    HB2  SER  49           HB2      SER  49  -4.131  29.097 -11.194
  377    HB3  SER  49           HB3      SER  49  -3.653  30.779 -11.473
  378    HG   SER  49           HG       SER  49  -5.019  30.615  -9.655
  379    H    SER  50           H        SER  50  -2.728  30.881 -13.461
  380    HA   SER  50           HA       SER  50  -2.205  29.258 -15.819
  381    HB2  SER  50           HB2      SER  50   0.136  30.292 -15.366
  382    HB3  SER  50           HB3      SER  50  -1.191  31.355 -15.855
  383    HG   SER  50           HG       SER  50  -0.045  32.231 -14.083
  384    H    GLN  51           H        GLN  51  -0.717  29.467 -12.509
  385    HA   GLN  51           HA       GLN  51  -0.607  26.641 -12.121
  386    HB2  GLN  51           HB2      GLN  51   1.459  27.745 -13.707
  387    HB3  GLN  51           HB3      GLN  51   2.151  27.790 -12.094
  388    HG2  GLN  51           HG2      GLN  51   1.760  25.381 -11.820
  389    HG3  GLN  51           HG3      GLN  51   0.922  25.307 -13.375
  390   HE21  GLN  51          HE21      GLN  51   3.500  23.972 -12.367
  391   HE22  GLN  51          HE22      GLN  51   4.654  24.326 -13.640
  392    H    ALA  52           H        ALA  52   0.502  26.314 -10.020
  393    HA   ALA  52           HA       ALA  52   0.060  28.455  -8.051
  394    HB1  ALA  52           HB1      ALA  52  -0.549  26.219  -7.435
  395    HB2  ALA  52           HB2      ALA  52   1.089  25.642  -7.808
  396    HB3  ALA  52           HB3      ALA  52   0.843  26.771  -6.449
  397    H    THR  53           H        THR  53   1.549  29.542  -9.525
  398    HA   THR  53           HA       THR  53   3.460  30.541 -10.141
  399    HB   THR  53           HB       THR  53   3.799  30.557  -7.139
  400    HG1  THR  53           HG1      THR  53   2.405  32.278  -7.211
  401   HG21  THR  53          HG21      THR  53   5.750  31.483  -8.328
  402   HG22  THR  53          HG22      THR  53   4.687  32.512  -9.303
  403   HG23  THR  53          HG23      THR  53   4.833  32.781  -7.542
  404    H    LYS  54           H        LYS  54   5.153  29.116  -7.405
  405    HA   LYS  54           HA       LYS  54   6.967  27.482  -8.931
  406    HB2  LYS  54           HB2      LYS  54   7.779  30.031  -8.988
  407    HB3  LYS  54           HB3      LYS  54   8.256  29.666  -7.299
  408    HG2  LYS  54           HG2      LYS  54   9.593  27.750  -8.176
  409    HG3  LYS  54           HG3      LYS  54   9.046  28.159  -9.812
  410    HD2  LYS  54           HD2      LYS  54  10.035  30.560  -9.264
  411    HD3  LYS  54           HD3      LYS  54  10.917  29.699  -7.976
  412    HE2  LYS  54           HE2      LYS  54  11.710  28.070  -9.712
  413    HE3  LYS  54           HE3      LYS  54  10.821  29.009 -10.927
  414    HZ1  LYS  54           HZ1      LYS  54  13.108  30.034  -9.333
  415    HZ2  LYS  54           HZ2      LYS  54  13.183  29.574 -10.895
  416    HZ3  LYS  54           HZ3      LYS  54  12.300  30.878 -10.482
  417    H    GLU  55           H        GLU  55   8.672  26.693  -6.910
  418    HA   GLU  55           HA       GLU  55   7.058  25.785  -4.809
  419    HB2  GLU  55           HB2      GLU  55  10.077  26.246  -4.716
  420    HB3  GLU  55           HB3      GLU  55   9.127  25.326  -3.556
  421    HG2  GLU  55           HG2      GLU  55   9.871  23.601  -4.832
  422    HG3  GLU  55           HG3      GLU  55   8.376  23.928  -5.690
  423    H    ILE  56           H        ILE  56   5.939  26.944  -3.324
  424    HA   ILE  56           HA       ILE  56   6.680  29.762  -3.048
  425    HB   ILE  56           HB       ILE  56   4.197  28.472  -1.899
  426   HG12  ILE  56          HG12      ILE  56   4.619  29.744  -4.648
  427   HG13  ILE  56          HG13      ILE  56   4.259  28.053  -4.310
  428   HG21  ILE  56          HG21      ILE  56   3.363  30.854  -2.058
  429   HG22  ILE  56          HG22      ILE  56   4.727  30.686  -0.973
  430   HG23  ILE  56          HG23      ILE  56   4.965  31.358  -2.599
  431   HD11  ILE  56          HD11      ILE  56   2.406  30.372  -4.255
  432   HD12  ILE  56          HD12      ILE  56   2.232  28.717  -4.899
  433   HD13  ILE  56          HD13      ILE  56   2.094  29.030  -3.125
  434    H    LYS  57           H        LYS  57   7.430  30.645  -1.223
  435    HA   LYS  57           HA       LYS  57   8.473  28.870   0.897
  436    HB2  LYS  57           HB2      LYS  57   8.840  31.822   0.171
  437    HB3  LYS  57           HB3      LYS  57   9.475  31.121   1.648
  438    HG2  LYS  57           HG2      LYS  57  11.251  31.268   0.020
  439    HG3  LYS  57           HG3      LYS  57  10.911  29.570   0.376
  440    HD2  LYS  57           HD2      LYS  57   9.698  29.325  -1.717
  441    HD3  LYS  57           HD3      LYS  57   9.873  31.058  -2.075
  442    HE2  LYS  57           HE2      LYS  57  12.347  30.699  -2.223
  443    HE3  LYS  57           HE3      LYS  57  12.087  28.979  -1.876
  444    HZ1  LYS  57           HZ1      LYS  57  11.155  30.462  -4.254
  445    HZ2  LYS  57           HZ2      LYS  57  12.209  29.211  -4.212
  446    HZ3  LYS  57           HZ3      LYS  57  10.606  28.970  -3.887
  447    HA   PRO  58           HA       PRO  58   5.207  30.220   3.628
  448    HB2  PRO  58           HB2      PRO  58   7.354  30.720   5.691
  449    HB3  PRO  58           HB3      PRO  58   5.832  29.777   5.872
  450    HG2  PRO  58           HG2      PRO  58   8.258  28.567   5.639
  451    HG3  PRO  58           HG3      PRO  58   6.818  27.904   4.806
  452    HD2  PRO  58           HD2      PRO  58   8.981  29.717   3.693
  453    HD3  PRO  58           HD3      PRO  58   8.254  28.227   2.973
  454    H    GLN  59           H        GLN  59   4.278  32.107   3.561
  455    HA   GLN  59           HA       GLN  59   5.743  34.570   4.222
  456    HB2  GLN  59           HB2      GLN  59   5.993  34.272   1.747
  457    HB3  GLN  59           HB3      GLN  59   4.239  34.142   1.585
  458    HG2  GLN  59           HG2      GLN  59   5.089  36.346   0.904
  459    HG3  GLN  59           HG3      GLN  59   3.964  36.483   2.238
  460   HE21  GLN  59          HE21      GLN  59   7.311  37.012   1.217
  461   HE22  GLN  59          HE22      GLN  59   7.848  37.745   2.713
  462    H    LYS  60           H        LYS  60   4.318  36.201   4.852
  463    HA   LYS  60           HA       LYS  60   1.875  35.559   6.145
  464    HB2  LYS  60           HB2      LYS  60   2.870  38.182   4.927
  465    HB3  LYS  60           HB3      LYS  60   1.427  38.051   5.943
  466    HG2  LYS  60           HG2      LYS  60   2.817  37.182   7.817
  467    HG3  LYS  60           HG3      LYS  60   4.256  37.298   6.802
  468    HD2  LYS  60           HD2      LYS  60   4.224  39.189   8.266
  469    HD3  LYS  60           HD3      LYS  60   3.947  39.755   6.615
  470    HE2  LYS  60           HE2      LYS  60   1.504  39.908   7.081
  471    HE3  LYS  60           HE3      LYS  60   1.771  39.293   8.716
  472    HZ1  LYS  60           HZ1      LYS  60   2.853  41.841   7.658
  473    HZ2  LYS  60           HZ2      LYS  60   1.588  41.694   8.679
  474    HZ3  LYS  60           HZ3      LYS  60   3.085  41.277   9.176
  475    H    LEU  61           H        LEU  61  -0.132  35.803   5.724
  476    HA   LEU  61           HA       LEU  61  -0.969  35.128   2.972
  477    HB2  LEU  61           HB2      LEU  61  -1.015  33.277   4.348
  478    HB3  LEU  61           HB3      LEU  61  -1.471  34.115   5.768
  479    HG   LEU  61           HG       LEU  61  -3.566  33.935   3.568
  480   HD11  LEU  61          HD11      LEU  61  -2.658  31.856   3.421
  481   HD12  LEU  61          HD12      LEU  61  -2.548  31.661   5.183
  482   HD13  LEU  61          HD13      LEU  61  -4.156  31.764   4.372
  483   HD21  LEU  61          HD21      LEU  61  -3.915  35.220   5.682
  484   HD22  LEU  61          HD22      LEU  61  -5.022  33.862   5.487
  485   HD23  LEU  61          HD23      LEU  61  -3.632  33.725   6.599
  486    H    GLY  62           H        GLY  62  -3.416  35.383   2.736
  487    HA2  GLY  62           HA2      GLY  62  -3.804  38.193   2.558
  488    HA3  GLY  62           HA3      GLY  62  -4.690  36.813   1.856
  489    H    GLU  63           H        GLU  63  -6.490  37.666   2.153
  490    HA   GLU  63           HA       GLU  63  -7.803  37.771   4.822
  491    HB2  GLU  63           HB2      GLU  63  -7.738  40.101   2.850
  492    HB3  GLU  63           HB3      GLU  63  -8.780  40.012   4.269
  493    HG2  GLU  63           HG2      GLU  63  -6.749  39.858   5.731
  494    HG3  GLU  63           HG3      GLU  63  -5.742  40.113   4.304
  495    H    ASP  64           H        ASP  64  -7.920  36.653   1.715
  496    HA   ASP  64           HA       ASP  64 -10.879  36.348   1.729
  497    HB2  ASP  64           HB2      ASP  64 -10.136  38.019   0.027
  498    HB3  ASP  64           HB3      ASP  64  -9.117  36.782  -0.711
  499    H    GLU  65           H        GLU  65  -8.415  34.852   2.638
  500    HA   GLU  65           HA       GLU  65  -9.041  32.136   1.672
  501    HB2  GLU  65           HB2      GLU  65  -7.233  33.287   0.190
  502    HB3  GLU  65           HB3      GLU  65  -6.196  33.258   1.623
  503    HG2  GLU  65           HG2      GLU  65  -6.385  30.799   1.700
  504    HG3  GLU  65           HG3      GLU  65  -7.524  30.818   0.363
  505    H    SER  66           H        SER  66  -9.374  33.883   4.117
  506    HA   SER  66           HA       SER  66  -7.254  33.419   5.969
  507    HB2  SER  66           HB2      SER  66 -10.142  34.048   6.619
  508    HB3  SER  66           HB3      SER  66  -8.699  34.351   7.604
  509    HG   SER  66           HG       SER  66  -9.440  36.243   6.483
  510    H    ILE  67           H        ILE  67  -6.743  31.501   6.790
  511    HA   ILE  67           HA       ILE  67  -8.595  29.320   7.124
  512    HB   ILE  67           HB       ILE  67  -6.713  28.787   8.931
  513   HG12  ILE  67          HG12      ILE  67  -5.280  30.804   8.484
  514   HG13  ILE  67          HG13      ILE  67  -4.509  29.257   8.362
  515   HG21  ILE  67          HG21      ILE  67  -5.543  27.453   7.392
  516   HG22  ILE  67          HG22      ILE  67  -7.280  27.250   7.374
  517   HG23  ILE  67          HG23      ILE  67  -6.499  28.224   6.067
  518   HD11  ILE  67          HD11      ILE  67  -5.490  30.623   5.870
  519   HD12  ILE  67          HD12      ILE  67  -3.944  30.976   6.668
  520   HD13  ILE  67          HD13      ILE  67  -4.286  29.332   6.070
  521    HA   PRO  68           HA       PRO  68 -10.149  31.048  11.101
  522    HB2  PRO  68           HB2      PRO  68 -11.970  29.129  11.750
  523    HB3  PRO  68           HB3      PRO  68 -12.280  30.362  10.498
  524    HG2  PRO  68           HG2      PRO  68 -11.373  27.508  10.110
  525    HG3  PRO  68           HG3      PRO  68 -12.639  28.393   9.217
  526    HD2  PRO  68           HD2      PRO  68 -10.068  28.107   8.263
  527    HD3  PRO  68           HD3      PRO  68 -11.056  29.550   7.923
  528    H    GLU  69           H        GLU  69  -9.615  30.563  13.257
  529    HA   GLU  69           HA       GLU  69  -7.394  29.079  13.786
  530    HB2  GLU  69           HB2      GLU  69  -9.484  29.628  15.894
  531    HB3  GLU  69           HB3      GLU  69  -7.748  29.360  16.081
  532    HG2  GLU  69           HG2      GLU  69  -7.758  31.615  16.251
  533    HG3  GLU  69           HG3      GLU  69  -7.533  31.483  14.513
  534    H    GLU  70           H        GLU  70 -10.633  27.927  13.610
  535    HA   GLU  70           HA       GLU  70 -10.700  25.562  15.070
  536    HB2  GLU  70           HB2      GLU  70 -12.544  26.804  13.792
  537    HB3  GLU  70           HB3      GLU  70 -11.919  26.060  12.324
  538    HG2  GLU  70           HG2      GLU  70 -13.811  24.785  13.048
  539    HG3  GLU  70           HG3      GLU  70 -12.389  23.795  13.335
  540    H    ILE  71           H        ILE  71  -9.164  26.173  11.899
  541    HA   ILE  71           HA       ILE  71  -8.372  23.286  11.779
  542    HB   ILE  71           HB       ILE  71  -8.086  23.620   9.363
  543   HG12  ILE  71          HG12      ILE  71  -9.564  26.258   9.707
  544   HG13  ILE  71          HG13      ILE  71  -7.877  26.115   9.258
  545   HG21  ILE  71          HG21      ILE  71 -10.174  22.711  10.495
  546   HG22  ILE  71          HG22      ILE  71 -10.896  24.327  10.261
  547   HG23  ILE  71          HG23      ILE  71 -10.403  23.354   8.862
  548   HD11  ILE  71          HD11      ILE  71  -9.223  26.460   7.214
  549   HD12  ILE  71          HD12      ILE  71  -8.588  24.810   7.201
  550   HD13  ILE  71          HD13      ILE  71 -10.290  25.143   7.635
  551    H    ILE  72           H        ILE  72  -7.143  26.514  12.104
  552    HA   ILE  72           HA       ILE  72  -4.763  26.453  10.768
  553    HB   ILE  72           HB       ILE  72  -6.017  27.812  13.092
  554   HG12  ILE  72          HG12      ILE  72  -4.751  28.449  10.424
  555   HG13  ILE  72          HG13      ILE  72  -6.465  28.288  10.862
  556   HG21  ILE  72          HG21      ILE  72  -4.294  29.315  13.642
  557   HG22  ILE  72          HG22      ILE  72  -3.887  27.688  14.130
  558   HG23  ILE  72          HG23      ILE  72  -3.096  28.372  12.682
  559   HD11  ILE  72          HD11      ILE  72  -5.849  30.519  10.478
  560   HD12  ILE  72          HD12      ILE  72  -6.272  30.291  12.210
  561   HD13  ILE  72          HD13      ILE  72  -4.558  30.431  11.683
  562    H    ASN  73           H        ASN  73  -5.459  25.337  13.951
  563    HA   ASN  73           HA       ASN  73  -2.738  24.933  14.838
  564    HB2  ASN  73           HB2      ASN  73  -5.506  24.273  15.936
  565    HB3  ASN  73           HB3      ASN  73  -4.011  23.962  16.832
  566   HD21  ASN  73          HD21      ASN  73  -6.277  26.447  15.742
  567   HD22  ASN  73          HD22      ASN  73  -5.500  27.765  16.583
  568    H    GLY  74           H        GLY  74  -4.572  23.276  12.667
  569    HA2  GLY  74           HA2      GLY  74  -3.494  20.537  13.519
  570    HA3  GLY  74           HA3      GLY  74  -5.213  20.750  13.098
  571    H    LYS  75           H        LYS  75  -2.327  22.176  11.705
  572    HA   LYS  75           HA       LYS  75  -1.474  22.285   9.613
  573    HB2  LYS  75           HB2      LYS  75  -2.575  19.456   9.448
  574    HB3  LYS  75           HB3      LYS  75  -1.967  20.278   8.036
  575    HG2  LYS  75           HG2      LYS  75  -0.342  19.919  10.557
  576    HG3  LYS  75           HG3      LYS  75  -0.343  18.786   9.170
  577    HD2  LYS  75           HD2      LYS  75   0.095  21.001   7.764
  578    HD3  LYS  75           HD3      LYS  75   0.750  21.596   9.294
  579    HE2  LYS  75           HE2      LYS  75   1.592  19.091   7.795
  580    HE3  LYS  75           HE3      LYS  75   2.375  20.673   7.674
  581    HZ1  LYS  75           HZ1      LYS  75   2.197  19.117  10.196
  582    HZ2  LYS  75           HZ2      LYS  75   3.523  19.188   9.235
  583    HZ3  LYS  75           HZ3      LYS  75   2.991  20.542   9.976
  584    H    CYS  76           H        CYS  76  -2.130  22.716   7.348
  585    HA   CYS  76           HA       CYS  76  -5.049  22.535   6.930
  586    HB2  CYS  76           HB2      CYS  76  -3.553  25.130   6.972
  587    HB3  CYS  76           HB3      CYS  76  -4.917  24.938   5.879
  588    HG   CYS  76           HG       CYS  76  -5.084  23.970   9.025
  589    H    PHE  77           H        PHE  77  -5.647  22.282   4.936
  590    HA   PHE  77           HA       PHE  77  -3.591  21.981   2.796
  591    HB2  PHE  77           HB2      PHE  77  -5.963  20.150   3.422
  592    HB3  PHE  77           HB3      PHE  77  -4.759  19.948   2.163
  593    HD1  PHE  77           HD1      PHE  77  -2.412  19.467   2.806
  594    HD2  PHE  77           HD2      PHE  77  -5.536  19.603   5.716
  595    HE1  PHE  77           HE1      PHE  77  -0.770  18.804   4.557
  596    HE2  PHE  77           HE2      PHE  77  -3.998  18.718   7.433
  597    HZ   PHE  77           HZ       PHE  77  -1.590  18.287   6.855
  598    H    PHE  78           H        PHE  78  -4.106  23.666   1.549
  599    HA   PHE  78           HA       PHE  78  -6.822  24.586   0.946
  600    HB2  PHE  78           HB2      PHE  78  -4.747  26.042   0.860
  601    HB3  PHE  78           HB3      PHE  78  -4.237  25.074  -0.523
  602    HD1  PHE  78           HD1      PHE  78  -6.971  27.275   0.764
  603    HD2  PHE  78           HD2      PHE  78  -5.063  25.581  -2.717
  604    HE1  PHE  78           HE1      PHE  78  -8.310  28.765  -0.708
  605    HE2  PHE  78           HE2      PHE  78  -6.373  27.107  -4.169
  606    HZ   PHE  78           HZ       PHE  78  -7.962  28.735  -3.162
  607    H    ILE  79           H        ILE  79  -8.055  23.193  -0.124
  608    HA   ILE  79           HA       ILE  79  -6.773  21.296  -2.005
  609    HB   ILE  79           HB       ILE  79  -8.729  19.800  -1.267
  610   HG12  ILE  79          HG12      ILE  79  -8.855  21.550   1.184
  611   HG13  ILE  79          HG13      ILE  79  -9.880  21.890  -0.197
  612   HG21  ILE  79          HG21      ILE  79  -6.323  20.477   0.437
  613   HG22  ILE  79          HG22      ILE  79  -7.562  19.434   1.088
  614   HG23  ILE  79          HG23      ILE  79  -6.768  18.986  -0.421
  615   HD11  ILE  79          HD11      ILE  79 -10.958  19.760  -0.059
  616   HD12  ILE  79          HD12      ILE  79 -10.011  19.378   1.412
  617   HD13  ILE  79          HD13      ILE  79 -11.122  20.787   1.375
  618    H    HIS  80           H        HIS  80  -7.815  20.760  -3.920
  619    HA   HIS  80           HA       HIS  80 -10.140  22.445  -4.693
  620    HB2  HIS  80           HB2      HIS  80  -8.371  21.827  -6.363
  621    HB3  HIS  80           HB3      HIS  80  -8.867  20.133  -6.166
  622    HD2  HIS  80           HD2      HIS  80  -9.996  23.444  -7.658
  623    HE1  HIS  80           HE1      HIS  80 -12.895  20.578  -8.912
  624    HE2  HIS  80           HE2      HIS  80 -12.083  22.979  -9.218
  625    H    TYR  81           H        TYR  81 -12.086  21.759  -4.061
  626    HA   TYR  81           HA       TYR  81 -12.470  19.024  -2.998
  627    HB2  TYR  81           HB2      TYR  81 -14.203  21.461  -3.003
  628    HB3  TYR  81           HB3      TYR  81 -14.968  19.881  -3.019
  629    HD1  TYR  81           HD1      TYR  81 -14.316  18.127  -1.258
  630    HD2  TYR  81           HD2      TYR  81 -13.475  22.335  -0.848
  631    HE1  TYR  81           HE1      TYR  81 -14.392  17.888   1.185
  632    HE2  TYR  81           HE2      TYR  81 -13.569  22.114   1.618
  633    HH   TYR  81           HH       TYR  81 -14.361  18.998   3.242
  634    H    GLN  82           H        GLN  82 -12.470  17.533  -4.546
  635    HA   GLN  82           HA       GLN  82 -13.061  18.227  -7.312
  636    HB2  GLN  82           HB2      GLN  82 -12.534  15.454  -6.190
  637    HB3  GLN  82           HB3      GLN  82 -12.386  16.002  -7.861
  638    HG2  GLN  82           HG2      GLN  82 -10.549  17.588  -7.088
  639    HG3  GLN  82           HG3      GLN  82 -10.665  16.829  -5.486
  640   HE21  GLN  82          HE21      GLN  82  -9.338  15.186  -5.087
  641   HE22  GLN  82          HE22      GLN  82  -8.596  14.171  -6.309
  642    H    GLY  83           H        GLY  83 -14.674  17.185  -8.618
  643    HA2  GLY  83           HA2      GLY  83 -16.848  16.503  -9.050
  644    HA3  GLY  83           HA3      GLY  83 -16.989  15.901  -7.391
  645    H    TRP  84           H        TRP  84 -15.832  19.102  -7.158
  646    HA   TRP  84           HA       TRP  84 -18.569  20.264  -7.271
  647    HB2  TRP  84           HB2      TRP  84 -16.696  20.503  -4.876
  648    HB3  TRP  84           HB3      TRP  84 -18.246  21.342  -5.121
  649    HD1  TRP  84           HD1      TRP  84 -16.989  18.356  -3.446
  650    HE1  TRP  84           HE1      TRP  84 -18.995  16.970  -2.613
  651    HE3  TRP  84           HE3      TRP  84 -20.644  20.508  -6.251
  652    HZ2  TRP  84           HZ2      TRP  84 -21.824  16.987  -2.965
  653    HZ3  TRP  84           HZ3      TRP  84 -23.036  19.819  -5.981
  654    HH2  TRP  84           HH2      TRP  84 -23.640  18.062  -4.322
  655    H    LYS  85           H        LYS  85 -18.407  22.696  -6.907
  656    HA   LYS  85           HA       LYS  85 -17.048  23.678  -9.204
  657    HB2  LYS  85           HB2      LYS  85 -18.166  25.223  -6.806
  658    HB3  LYS  85           HB3      LYS  85 -17.766  25.925  -8.366
  659    HG2  LYS  85           HG2      LYS  85 -19.982  23.916  -7.777
  660    HG3  LYS  85           HG3      LYS  85 -20.179  25.622  -8.140
  661    HD2  LYS  85           HD2      LYS  85 -19.184  23.480 -10.075
  662    HD3  LYS  85           HD3      LYS  85 -20.780  24.231 -10.053
  663    HE2  LYS  85           HE2      LYS  85 -19.756  26.449 -10.510
  664    HE3  LYS  85           HE3      LYS  85 -18.157  25.704 -10.576
  665    HZ1  LYS  85           HZ1      LYS  85 -18.943  24.380 -12.463
  666    HZ2  LYS  85           HZ2      LYS  85 -20.406  25.109 -12.410
  667    HZ3  LYS  85           HZ3      LYS  85 -19.078  25.982 -12.781
  668    H    SER  86           H        SER  86 -15.062  24.633  -9.467
  669    HA   SER  86           HA       SER  86 -13.017  24.480  -7.613
  670    HB2  SER  86           HB2      SER  86 -13.394  26.456  -9.912
  671    HB3  SER  86           HB3      SER  86 -11.853  26.054  -9.139
  672    HG   SER  86           HG       SER  86 -12.326  24.851 -11.089
  673    H    SER  87           H        SER  87 -15.641  26.812  -7.525
  674    HA   SER  87           HA       SER  87 -14.441  28.921  -6.097
  675    HB2  SER  87           HB2      SER  87 -17.206  27.771  -5.577
  676    HB3  SER  87           HB3      SER  87 -16.675  29.448  -5.435
  677    HG   SER  87           HG       SER  87 -17.845  29.127  -7.367
  678    H    TRP  88           H        TRP  88 -15.165  25.606  -5.143
  679    HA   TRP  88           HA       TRP  88 -14.891  26.033  -2.281
  680    HB2  TRP  88           HB2      TRP  88 -15.106  23.543  -4.028
  681    HB3  TRP  88           HB3      TRP  88 -14.925  23.517  -2.299
  682    HD1  TRP  88           HD1      TRP  88 -17.475  25.806  -4.096
  683    HE1  TRP  88           HE1      TRP  88 -19.753  25.277  -3.118
  684    HE3  TRP  88           HE3      TRP  88 -16.115  21.943  -1.091
  685    HZ2  TRP  88           HZ2      TRP  88 -20.945  23.136  -1.480
  686    HZ3  TRP  88           HZ3      TRP  88 -17.847  20.592   0.107
  687    HH2  TRP  88           HH2      TRP  88 -20.254  21.188  -0.073
  688    H    ASP  89           H        ASP  89 -12.518  26.583  -4.378
  689    HA   ASP  89           HA       ASP  89 -10.419  24.824  -3.423
  690    HB2  ASP  89           HB2      ASP  89 -10.468  27.488  -4.875
  691    HB3  ASP  89           HB3      ASP  89  -8.986  26.809  -4.194
  692    H    GLU  90           H        GLU  90 -10.550  24.680  -1.211
  693    HA   GLU  90           HA       GLU  90 -10.271  27.144   0.433
  694    HB2  GLU  90           HB2      GLU  90 -12.702  26.310   0.101
  695    HB3  GLU  90           HB3      GLU  90 -12.177  24.764   0.793
  696    HG2  GLU  90           HG2      GLU  90 -13.406  26.161   2.392
  697    HG3  GLU  90           HG3      GLU  90 -11.796  25.751   2.936
  698    H    TRP  91           H        TRP  91  -9.112  26.741   2.458
  699    HA   TRP  91           HA       TRP  91  -7.879  24.136   2.577
  700    HB2  TRP  91           HB2      TRP  91  -7.483  25.548   5.057
  701    HB3  TRP  91           HB3      TRP  91  -6.343  24.822   3.960
  702    HD1  TRP  91           HD1      TRP  91  -8.491  28.016   4.016
  703    HE1  TRP  91           HE1      TRP  91  -6.927  30.015   3.770
  704    HE3  TRP  91           HE3      TRP  91  -3.956  25.626   3.433
  705    HZ2  TRP  91           HZ2      TRP  91  -4.338  30.509   2.601
  706    HZ3  TRP  91           HZ3      TRP  91  -1.946  26.943   2.810
  707    HH2  TRP  91           HH2      TRP  91  -2.156  29.409   2.349
  708    H    VAL  92           H        VAL  92  -7.973  22.608   4.085
  709    HA   VAL  92           HA       VAL  92 -10.045  22.811   6.223
  710    HB   VAL  92           HB       VAL  92 -10.489  20.350   5.926
  711   HG11  VAL  92          HG11      VAL  92 -11.085  21.948   3.407
  712   HG12  VAL  92          HG12      VAL  92 -11.920  20.510   4.020
  713   HG13  VAL  92          HG13      VAL  92 -12.024  22.051   4.915
  714   HG21  VAL  92          HG21      VAL  92  -8.487  19.758   4.694
  715   HG22  VAL  92          HG22      VAL  92  -9.976  19.258   3.857
  716   HG23  VAL  92          HG23      VAL  92  -9.032  20.655   3.279
  717    H    GLY  93           H        GLY  93  -9.547  21.346   8.034
  718    HA2  GLY  93           HA2      GLY  93  -6.614  20.998   8.427
  719    HA3  GLY  93           HA3      GLY  93  -7.813  21.186   9.710
  720    H    TYR  94           H        TYR  94  -6.129  19.099   9.869
  721    HA   TYR  94           HA       TYR  94  -6.840  16.748   8.478
  722    HB2  TYR  94           HB2      TYR  94  -4.946  17.598  10.384
  723    HB3  TYR  94           HB3      TYR  94  -5.745  16.204  11.119
  724    HD1  TYR  94           HD1      TYR  94  -6.165  14.237   9.392
  725    HD2  TYR  94           HD2      TYR  94  -3.200  17.303   8.983
  726    HE1  TYR  94           HE1      TYR  94  -5.042  12.866   7.643
  727    HE2  TYR  94           HE2      TYR  94  -2.117  15.992   7.135
  728    HH   TYR  94           HH       TYR  94  -3.190  12.675   6.249
  729    H    ASP  95           H        ASP  95  -8.345  18.206  11.229
  730    HA   ASP  95           HA       ASP  95  -9.825  16.043  12.277
  731    HB2  ASP  95           HB2      ASP  95  -9.877  18.292  13.267
  732    HB3  ASP  95           HB3      ASP  95 -10.694  18.929  11.843
  733    H    ARG  96           H        ARG  96 -10.237  17.793   9.227
  734    HA   ARG  96           HA       ARG  96 -12.602  16.088   8.594
  735    HB2  ARG  96           HB2      ARG  96 -11.661  18.770   7.494
  736    HB3  ARG  96           HB3      ARG  96 -12.829  17.745   6.650
  737    HG2  ARG  96           HG2      ARG  96 -14.281  17.716   8.665
  738    HG3  ARG  96           HG3      ARG  96 -13.192  18.853   9.471
  739    HD2  ARG  96           HD2      ARG  96 -14.488  19.429   6.779
  740    HD3  ARG  96           HD3      ARG  96 -15.305  19.771   8.306
  741    HE   ARG  96           HE       ARG  96 -13.069  21.092   8.778
  742   HH11  ARG  96          HH11      ARG  96 -14.986  21.042   5.782
  743   HH12  ARG  96          HH12      ARG  96 -14.711  22.707   5.407
  744   HH21  ARG  96          HH21      ARG  96 -12.744  23.329   8.304
  745   HH22  ARG  96          HH22      ARG  96 -13.346  24.005   6.838
  746    H    ILE  97           H        ILE  97  -9.293  16.985   7.309
  747    HA   ILE  97           HA       ILE  97  -9.923  15.164   5.108
  748    HB   ILE  97           HB       ILE  97  -9.196  17.490   4.845
  749   HG12  ILE  97          HG12      ILE  97  -7.499  15.439   3.365
  750   HG13  ILE  97          HG13      ILE  97  -9.116  15.989   2.917
  751   HG21  ILE  97          HG21      ILE  97  -6.304  16.640   5.083
  752   HG22  ILE  97          HG22      ILE  97  -7.103  18.233   4.990
  753   HG23  ILE  97          HG23      ILE  97  -7.174  17.314   6.512
  754   HD11  ILE  97          HD11      ILE  97  -7.778  17.251   1.565
  755   HD12  ILE  97          HD12      ILE  97  -8.076  18.334   2.903
  756   HD13  ILE  97          HD13      ILE  97  -6.522  17.486   2.807
  757    H    ARG  98           H        ARG  98  -8.518  13.721   4.201
  758    HA   ARG  98           HA       ARG  98  -6.071  12.943   5.643
  759    HB2  ARG  98           HB2      ARG  98  -7.975  10.856   4.596
  760    HB3  ARG  98           HB3      ARG  98  -6.435  10.595   5.416
  761    HG2  ARG  98           HG2      ARG  98  -7.959  10.023   7.076
  762    HG3  ARG  98           HG3      ARG  98  -7.691  11.724   7.469
  763    HD2  ARG  98           HD2      ARG  98  -9.761  12.239   6.022
  764    HD3  ARG  98           HD3      ARG  98  -9.931  10.511   5.783
  765    HE   ARG  98           HE       ARG  98 -10.998  10.371   7.782
  766   HH11  ARG  98          HH11      ARG  98  -8.927  13.282   8.033
  767   HH12  ARG  98          HH12      ARG  98  -9.625  13.823   9.492
  768   HH21  ARG  98          HH21      ARG  98 -11.975  11.148   9.724
  769   HH22  ARG  98          HH22      ARG  98 -11.436  12.631  10.434
  770    H    ALA  99           H        ALA  99  -4.639  11.752   4.108
  771    HA   ALA  99           HA       ALA  99  -4.835  12.740   1.388
  772    HB1  ALA  99           HB1      ALA  99  -2.702  11.769   1.094
  773    HB2  ALA  99           HB2      ALA  99  -2.774  12.329   2.782
  774    HB3  ALA  99           HB3      ALA  99  -3.017  10.601   2.476
  775    H    TYR 100           H        TYR 100  -4.499  11.210  -0.454
  776    HA   TYR 100           HA       TYR 100  -6.820   9.569  -0.540
  777    HB2  TYR 100           HB2      TYR 100  -5.447  10.822  -2.372
  778    HB3  TYR 100           HB3      TYR 100  -4.722   9.260  -2.620
  779    HD1  TYR 100           HD1      TYR 100  -8.052  10.983  -2.379
  780    HD2  TYR 100           HD2      TYR 100  -5.855   7.625  -3.959
  781    HE1  TYR 100           HE1      TYR 100 -10.045  10.291  -3.676
  782    HE2  TYR 100           HE2      TYR 100  -7.824   6.957  -5.299
  783    HH   TYR 100           HH       TYR 100 -10.036   7.445  -5.874
  784    H    ASN 101           H        ASN 101  -7.001   7.598   0.371
  785    HA   ASN 101           HA       ASN 101  -5.316   5.497  -0.618
  786    HB2  ASN 101           HB2      ASN 101  -4.299   4.607   1.357
  787    HB3  ASN 101           HB3      ASN 101  -3.835   6.291   1.253
  788   HD21  ASN 101          HD21      ASN 101  -4.825   7.839   2.703
  789   HD22  ASN 101          HD22      ASN 101  -5.511   7.285   4.203
  790    H    GLU 102           H        GLU 102  -5.798   3.339   0.485
  791    HA   GLU 102           HA       GLU 102  -8.361   2.704  -0.283
  792    HB2  GLU 102           HB2      GLU 102  -6.331   1.233  -0.199
  793    HB3  GLU 102           HB3      GLU 102  -6.537   1.105   1.559
  794    HG2  GLU 102           HG2      GLU 102  -8.738   0.025   1.235
  795    HG3  GLU 102           HG3      GLU 102  -8.622   0.263  -0.510
  796    H    GLU 103           H        GLU 103  -7.220   3.374   3.063
  797    HA   GLU 103           HA       GLU 103  -9.638   2.394   4.327
  798    HB2  GLU 103           HB2      GLU 103  -7.915   2.445   5.798
  799    HB3  GLU 103           HB3      GLU 103  -7.179   3.893   5.131
  800    HG2  GLU 103           HG2      GLU 103  -8.705   5.356   6.219
  801    HG3  GLU 103           HG3      GLU 103  -9.729   3.997   6.750
  802    H    ASN 104           H        ASN 104  -8.833   5.363   2.611
  803    HA   ASN 104           HA       ASN 104 -11.112   6.837   3.850
  804    HB2  ASN 104           HB2      ASN 104  -9.052   7.757   1.914
  805    HB3  ASN 104           HB3      ASN 104 -10.374   8.703   2.654
  806   HD21  ASN 104          HD21      ASN 104  -7.246   8.717   2.895
  807   HD22  ASN 104          HD22      ASN 104  -7.035   8.771   4.626
  808    H    ILE 105           H        ILE 105 -10.158   5.013   1.014
  809    HA   ILE 105           HA       ILE 105 -12.559   5.669  -0.484
  810    HB   ILE 105           HB       ILE 105 -10.236   3.793  -0.572
  811   HG12  ILE 105          HG12      ILE 105  -9.447   5.186  -2.180
  812   HG13  ILE 105          HG13      ILE 105 -11.056   5.476  -2.885
  813   HG21  ILE 105          HG21      ILE 105 -11.965   2.404  -1.324
  814   HG22  ILE 105          HG22      ILE 105 -12.659   3.698  -2.341
  815   HG23  ILE 105          HG23      ILE 105 -11.074   2.957  -2.755
  816   HD11  ILE 105          HD11      ILE 105  -9.853   6.991  -0.540
  817   HD12  ILE 105          HD12      ILE 105  -9.975   7.557  -2.192
  818   HD13  ILE 105          HD13      ILE 105 -11.453   7.333  -1.261
  819    H    ALA 106           H        ALA 106 -11.628   3.285   1.985
  820    HA   ALA 106           HA       ALA 106 -14.001   1.698   1.700
  821    HB1  ALA 106           HB1      ALA 106 -11.886   0.978   2.778
  822    HB2  ALA 106           HB2      ALA 106 -12.178   2.117   4.109
  823    HB3  ALA 106           HB3      ALA 106 -13.304   0.762   3.847
  824    H    MET 107           H        MET 107 -13.058   4.508   3.751
  825    HA   MET 107           HA       MET 107 -15.675   4.822   4.871
  826    HB2  MET 107           HB2      MET 107 -14.830   6.546   6.038
  827    HB3  MET 107           HB3      MET 107 -13.288   5.943   5.441
  828    HG2  MET 107           HG2      MET 107 -13.771   7.668   3.487
  829    HG3  MET 107           HG3      MET 107 -14.881   8.354   4.653
  830    HE1  MET 107           HE1      MET 107 -12.664   9.736   3.181
  831    HE2  MET 107           HE2      MET 107 -13.644  10.530   4.470
  832    HE3  MET 107           HE3      MET 107 -11.865  10.766   4.413
  833    H    LYS 108           H        LYS 108 -14.223   6.217   1.835
  834    HA   LYS 108           HA       LYS 108 -16.379   7.778   1.068
  835    HB2  LYS 108           HB2      LYS 108 -14.310   7.743  -0.288
  836    HB3  LYS 108           HB3      LYS 108 -14.580   6.066  -0.693
  837    HG2  LYS 108           HG2      LYS 108 -15.098   7.315  -2.613
  838    HG3  LYS 108           HG3      LYS 108 -16.540   6.557  -2.022
  839    HD2  LYS 108           HD2      LYS 108 -17.526   8.566  -2.336
  840    HD3  LYS 108           HD3      LYS 108 -16.789   9.038  -0.824
  841    HE2  LYS 108           HE2      LYS 108 -16.096  10.740  -2.255
  842    HE3  LYS 108           HE3      LYS 108 -14.684   9.638  -2.300
  843    HZ1  LYS 108           HZ1      LYS 108 -15.241  10.288  -4.536
  844    HZ2  LYS 108           HZ2      LYS 108 -15.638   8.717  -4.378
  845    HZ3  LYS 108           HZ3      LYS 108 -16.821   9.851  -4.352
  846    H    LYS 109           H        LYS 109 -15.836   4.320   0.066
  847    HA   LYS 109           HA       LYS 109 -18.332   4.192  -1.254
  848    HB2  LYS 109           HB2      LYS 109 -17.902   1.862  -1.590
  849    HB3  LYS 109           HB3      LYS 109 -16.365   2.729  -1.688
  850    HG2  LYS 109           HG2      LYS 109 -15.921   1.972   0.669
  851    HG3  LYS 109           HG3      LYS 109 -17.364   0.948   0.542
  852    HD2  LYS 109           HD2      LYS 109 -16.407  -0.108  -1.530
  853    HD3  LYS 109           HD3      LYS 109 -14.948   0.922  -1.379
  854    HE2  LYS 109           HE2      LYS 109 -14.443   0.007   0.764
  855    HE3  LYS 109           HE3      LYS 109 -15.958  -0.926   0.779
  856    HZ1  LYS 109           HZ1      LYS 109 -14.047  -2.321   0.179
  857    HZ2  LYS 109           HZ2      LYS 109 -15.074  -2.224  -1.091
  858    HZ3  LYS 109           HZ3      LYS 109 -13.682  -1.362  -1.089
  859    H    ARG 110           H        ARG 110 -17.506   3.316   2.119
  860    HA   ARG 110           HA       ARG 110 -20.050   2.185   2.753
  861    HB2  ARG 110           HB2      ARG 110 -18.049   1.901   4.122
  862    HB3  ARG 110           HB3      ARG 110 -18.002   3.613   4.532
  863    HG2  ARG 110           HG2      ARG 110 -20.464   1.939   5.168
  864    HG3  ARG 110           HG3      ARG 110 -19.029   1.820   6.188
  865    HD2  ARG 110           HD2      ARG 110 -19.077   4.141   6.757
  866    HD3  ARG 110           HD3      ARG 110 -20.340   4.508   5.602
  867    HE   ARG 110           HE       ARG 110 -20.633   3.317   8.242
  868   HH11  ARG 110          HH11      ARG 110 -22.290   3.761   5.082
  869   HH12  ARG 110          HH12      ARG 110 -23.860   3.559   5.758
  870   HH21  ARG 110          HH21      ARG 110 -22.743   3.056   9.091
  871   HH22  ARG 110          HH22      ARG 110 -24.127   3.136   8.064
  872    H    LEU 111           H        LEU 111 -18.903   5.607   2.733
  873    HA   LEU 111           HA       LEU 111 -21.359   6.653   3.858
  874    HB2  LEU 111           HB2      LEU 111 -19.212   7.891   2.074
  875    HB3  LEU 111           HB3      LEU 111 -20.561   8.741   2.773
  876    HG   LEU 111           HG       LEU 111 -18.639   7.333   4.598
  877   HD11  LEU 111          HD11      LEU 111 -17.162   9.238   4.599
  878   HD12  LEU 111          HD12      LEU 111 -17.472   8.911   2.911
  879   HD13  LEU 111          HD13      LEU 111 -18.340  10.235   3.719
  880   HD21  LEU 111          HD21      LEU 111 -20.510   9.719   4.913
  881   HD22  LEU 111          HD22      LEU 111 -20.803   8.079   5.499
  882   HD23  LEU 111          HD23      LEU 111 -19.475   9.012   6.191
  883    H    ALA 112           H        ALA 112 -20.051   6.320   0.559
  884    HA   ALA 112           HA       ALA 112 -22.180   7.502  -0.818
  885    HB1  ALA 112           HB1      ALA 112 -20.340   5.277  -1.780
  886    HB2  ALA 112           HB2      ALA 112 -21.283   6.381  -2.806
  887    HB3  ALA 112           HB3      ALA 112 -19.976   7.031  -1.797
  888    H    ASN 113           H        ASN 113 -22.292   4.453   0.812
  889    HA   ASN 113           HA       ASN 113 -24.538   3.341  -0.710
  890    HB2  ASN 113           HB2      ASN 113 -23.322   2.774   2.004
  891    HB3  ASN 113           HB3      ASN 113 -24.932   2.186   1.625
  892   HD21  ASN 113          HD21      ASN 113 -21.628   2.256   0.107
  893   HD22  ASN 113          HD22      ASN 113 -21.784   0.656  -0.593
  894    H    LEU 114           H        LEU 114 -24.162   5.787   1.775
  895    HA   LEU 114           HA       LEU 114 -26.948   5.969   2.574
  896    HB2  LEU 114           HB2      LEU 114 -24.774   6.603   3.839
  897    HB3  LEU 114           HB3      LEU 114 -24.817   8.095   2.908
  898    HG   LEU 114           HG       LEU 114 -27.063   7.138   4.739
  899   HD11  LEU 114          HD11      LEU 114 -24.958   7.478   5.982
  900   HD12  LEU 114          HD12      LEU 114 -24.786   9.097   5.270
  901   HD13  LEU 114          HD13      LEU 114 -26.133   8.744   6.378
  902   HD21  LEU 114          HD21      LEU 114 -26.496   9.822   3.402
  903   HD22  LEU 114          HD22      LEU 114 -27.949   8.807   3.229
  904   HD23  LEU 114          HD23      LEU 114 -27.642   9.624   4.750
  905    H    GLU 115           H        GLU 115 -24.748   7.645   0.341
  906    HA   GLU 115           HA       GLU 115 -26.355   9.782  -0.460
  907    HB2  GLU 115           HB2      GLU 115 -23.943   9.506  -0.973
  908    HB3  GLU 115           HB3      GLU 115 -24.335   8.253  -2.154
  909    HG2  GLU 115           HG2      GLU 115 -25.632   9.892  -3.485
  910    HG3  GLU 115           HG3      GLU 115 -25.329  11.134  -2.274
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1   2.145  -1.231  -0.270
    2    H2   MET   1           H2       MET   1   3.003   0.146  -0.550
    3    H3   MET   1           H3       MET   1   3.673  -1.064   0.323
    4    HA   MET   1           HA       MET   1   1.376   0.578   1.112
    5    HB2  MET   1           HB2      MET   1   2.777  -1.628   2.696
    6    HB3  MET   1           HB3      MET   1   1.578  -0.503   3.323
    7    HG2  MET   1           HG2      MET   1   0.403  -2.465   2.937
    8    HG3  MET   1           HG3      MET   1  -0.061  -1.385   1.624
    9    HE1  MET   1           HE1      MET   1  -1.178  -3.558   0.498
   10    HE2  MET   1           HE2      MET   1  -0.287  -5.063   0.165
   11    HE3  MET   1           HE3      MET   1  -0.595  -4.567   1.841
   12    H    VAL   2           H        VAL   2   2.012   2.559   1.860
   13    HA   VAL   2           HA       VAL   2   4.448   2.739   3.493
   14    HB   VAL   2           HB       VAL   2   5.251   3.151   1.222
   15   HG11  VAL   2          HG11      VAL   2   3.244   4.007   0.112
   16   HG12  VAL   2          HG12      VAL   2   3.315   5.494   1.082
   17   HG13  VAL   2          HG13      VAL   2   4.599   5.126  -0.088
   18   HG21  VAL   2          HG21      VAL   2   6.302   4.342   3.117
   19   HG22  VAL   2          HG22      VAL   2   6.440   5.204   1.579
   20   HG23  VAL   2          HG23      VAL   2   5.268   5.751   2.786
   21    H    ASP   3           H        ASP   3   4.394   4.528   4.916
   22    HA   ASP   3           HA       ASP   3   1.841   5.189   5.935
   23    HB2  ASP   3           HB2      ASP   3   3.933   5.115   7.246
   24    HB3  ASP   3           HB3      ASP   3   4.523   6.546   6.399
   25    H    LEU   4           H        LEU   4   3.712   6.739   3.452
   26    HA   LEU   4           HA       LEU   4   2.572   9.345   3.565
   27    HB2  LEU   4           HB2      LEU   4   4.729   8.677   2.475
   28    HB3  LEU   4           HB3      LEU   4   3.791   7.914   1.183
   29    HG   LEU   4           HG       LEU   4   2.908  10.106   0.496
   30   HD11  LEU   4          HD11      LEU   4   2.770  11.344   2.601
   31   HD12  LEU   4          HD12      LEU   4   4.522  11.219   2.839
   32   HD13  LEU   4          HD13      LEU   4   3.859  12.203   1.519
   33   HD21  LEU   4          HD21      LEU   4   5.002  11.084  -0.309
   34   HD22  LEU   4          HD22      LEU   4   5.924  10.152   0.890
   35   HD23  LEU   4          HD23      LEU   4   5.048   9.320  -0.421
   36    H    GLU   5           H        GLU   5   1.116   6.381   2.633
   37    HA   GLU   5           HA       GLU   5  -0.863   7.521   0.790
   38    HB2  GLU   5           HB2      GLU   5  -0.788   4.928   2.395
   39    HB3  GLU   5           HB3      GLU   5  -2.026   5.344   1.206
   40    HG2  GLU   5           HG2      GLU   5  -0.369   5.418  -0.589
   41    HG3  GLU   5           HG3      GLU   5   0.933   5.089   0.549
   42    H    GLN   6           H        GLN   6  -0.329   7.662   4.247
   43    HA   GLN   6           HA       GLN   6  -3.184   8.107   4.821
   44    HB2  GLN   6           HB2      GLN   6  -2.039   6.004   5.643
   45    HB3  GLN   6           HB3      GLN   6  -0.908   7.033   6.560
   46    HG2  GLN   6           HG2      GLN   6  -2.769   8.055   7.714
   47    HG3  GLN   6           HG3      GLN   6  -3.915   7.078   6.767
   48   HE21  GLN   6          HE21      GLN   6  -3.749   4.616   7.078
   49   HE22  GLN   6          HE22      GLN   6  -3.269   4.024   8.650
   50    H    GLU   7           H        GLU   7   0.201   9.133   5.300
   51    HA   GLU   7           HA       GLU   7  -0.299  11.537   6.765
   52    HB2  GLU   7           HB2      GLU   7   1.936  10.156   6.202
   53    HB3  GLU   7           HB3      GLU   7   1.898  11.102   4.686
   54    HG2  GLU   7           HG2      GLU   7   1.955  13.182   5.961
   55    HG3  GLU   7           HG3      GLU   7   1.757  12.293   7.466
   56    H    PHE   8           H        PHE   8  -0.601  13.626   5.801
   57    HA   PHE   8           HA       PHE   8  -1.758  13.822   3.141
   58    HB2  PHE   8           HB2      PHE   8  -1.484  16.169   3.297
   59    HB3  PHE   8           HB3      PHE   8  -2.007  15.653   4.880
   60    HD1  PHE   8           HD1      PHE   8  -0.148  15.483   6.753
   61    HD2  PHE   8           HD2      PHE   8   0.606  17.202   2.866
   62    HE1  PHE   8           HE1      PHE   8   1.807  16.712   7.671
   63    HE2  PHE   8           HE2      PHE   8   2.568  18.419   3.787
   64    HZ   PHE   8           HZ       PHE   8   3.165  18.181   6.194
   65    H    ALA   9           H        ALA   9  -0.714  14.318   1.243
   66    HA   ALA   9           HA       ALA   9   2.296  14.280   1.284
   67    HB1  ALA   9           HB1      ALA   9   1.293  12.147   0.745
   68    HB2  ALA   9           HB2      ALA   9   0.194  12.944  -0.418
   69    HB3  ALA   9           HB3      ALA   9   1.947  12.878  -0.774
   70    H    LEU  10           H        LEU  10   3.283  15.674  -0.240
   71    HA   LEU  10           HA       LEU  10   1.569  17.845  -1.077
   72    HB2  LEU  10           HB2      LEU  10   4.491  17.464  -0.967
   73    HB3  LEU  10           HB3      LEU  10   3.934  18.281  -2.438
   74    HG   LEU  10           HG       LEU  10   3.286  19.185   0.392
   75   HD11  LEU  10          HD11      LEU  10   5.143  20.327  -1.740
   76   HD12  LEU  10          HD12      LEU  10   4.728  21.126  -0.210
   77   HD13  LEU  10          HD13      LEU  10   5.606  19.591  -0.198
   78   HD21  LEU  10          HD21      LEU  10   2.341  20.122  -2.337
   79   HD22  LEU  10          HD22      LEU  10   1.402  19.873  -0.868
   80   HD23  LEU  10          HD23      LEU  10   2.464  21.267  -0.983
   81    H    GLY  11           H        GLY  11   0.169  17.221  -2.362
   82    HA2  GLY  11           HA2      GLY  11  -0.657  17.161  -4.541
   83    HA3  GLY  11           HA3      GLY  11   0.860  16.425  -5.146
   84    H    GLY  12           H        GLY  12  -0.491  15.259  -2.122
   85    HA2  GLY  12           HA2      GLY  12  -1.209  12.667  -3.306
   86    HA3  GLY  12           HA3      GLY  12  -1.441  13.192  -1.619
   87    H    ARG  13           H        ARG  13  -3.478  12.045  -2.903
   88    HA   ARG  13           HA       ARG  13  -5.337  14.274  -3.569
   89    HB2  ARG  13           HB2      ARG  13  -5.611  11.289  -4.108
   90    HB3  ARG  13           HB3      ARG  13  -7.009  12.366  -3.968
   91    HG2  ARG  13           HG2      ARG  13  -6.488  12.004  -6.281
   92    HG3  ARG  13           HG3      ARG  13  -6.178  13.705  -5.854
   93    HD2  ARG  13           HD2      ARG  13  -3.803  13.277  -5.682
   94    HD3  ARG  13           HD3      ARG  13  -4.060  11.527  -5.908
   95    HE   ARG  13           HE       ARG  13  -5.010  12.247  -8.208
   96   HH11  ARG  13          HH11      ARG  13  -2.202  13.909  -6.665
   97   HH12  ARG  13          HH12      ARG  13  -1.588  14.466  -8.168
   98   HH21  ARG  13          HH21      ARG  13  -4.140  13.025 -10.163
   99   HH22  ARG  13          HH22      ARG  13  -2.682  13.943 -10.183
  100    H    CYS  14           H        CYS  14  -7.173  14.140  -2.242
  101    HA   CYS  14           HA       CYS  14  -6.915  12.585   0.273
  102    HB2  CYS  14           HB2      CYS  14  -7.422  14.936   1.350
  103    HB3  CYS  14           HB3      CYS  14  -5.771  14.425   1.042
  104    HG   CYS  14           HG       CYS  14  -6.211  16.997   0.536
  105    H    LEU  15           H        LEU  15  -8.839  13.295   1.698
  106    HA   LEU  15           HA       LEU  15 -11.341  13.623   0.135
  107    HB2  LEU  15           HB2      LEU  15 -10.661  11.262   1.957
  108    HB3  LEU  15           HB3      LEU  15 -12.269  11.638   1.331
  109    HG   LEU  15           HG       LEU  15  -9.849  11.030  -0.399
  110   HD11  LEU  15          HD11      LEU  15 -10.082   9.028   0.560
  111   HD12  LEU  15          HD12      LEU  15 -11.838   9.121   0.761
  112   HD13  LEU  15          HD13      LEU  15 -11.121   8.857  -0.844
  113   HD21  LEU  15          HD21      LEU  15 -11.882  10.502  -2.061
  114   HD22  LEU  15          HD22      LEU  15 -12.709  11.703  -1.037
  115   HD23  LEU  15          HD23      LEU  15 -11.206  12.097  -1.866
  116    H    ALA  16           H        ALA  16 -12.618  14.946   1.305
  117    HA   ALA  16           HA       ALA  16 -11.991  15.305   4.180
  118    HB1  ALA  16           HB1      ALA  16 -12.516  17.787   3.807
  119    HB2  ALA  16           HB2      ALA  16 -10.981  17.235   3.167
  120    HB3  ALA  16           HB3      ALA  16 -12.345  17.466   2.061
  121    H    PHE  17           H        PHE  17 -13.551  15.538   5.517
  122    HA   PHE  17           HA       PHE  17 -16.172  14.546   4.612
  123    HB2  PHE  17           HB2      PHE  17 -14.381  13.993   6.816
  124    HB3  PHE  17           HB3      PHE  17 -15.919  14.540   7.459
  125    HD1  PHE  17           HD1      PHE  17 -18.046  13.377   6.066
  126    HD2  PHE  17           HD2      PHE  17 -14.087  11.719   6.623
  127    HE1  PHE  17           HE1      PHE  17 -18.933  11.124   5.826
  128    HE2  PHE  17           HE2      PHE  17 -15.051   9.434   6.397
  129    HZ   PHE  17           HZ       PHE  17 -17.474   9.131   6.081
  130    H    HIS  18           H        HIS  18 -18.030  15.466   4.829
  131    HA   HIS  18           HA       HIS  18 -18.152  18.252   5.941
  132    HB2  HIS  18           HB2      HIS  18 -19.698  16.866   3.709
  133    HB3  HIS  18           HB3      HIS  18 -20.237  18.353   4.469
  134    HD2  HIS  18           HD2      HIS  18 -17.012  17.103   2.600
  135    HE1  HIS  18           HE1      HIS  18 -17.606  21.209   1.618
  136    HE2  HIS  18           HE2      HIS  18 -16.176  19.151   1.184
  137    H    GLY  19           H        GLY  19 -19.873  15.107   5.614
  138    HA2  GLY  19           HA2      GLY  19 -20.464  14.474   8.115
  139    HA3  GLY  19           HA3      GLY  19 -21.664  15.749   7.887
  140    HA   PRO  20           HA       PRO  20 -24.388  13.054   5.594
  141    HB2  PRO  20           HB2      PRO  20 -24.104  14.856   3.188
  142    HB3  PRO  20           HB3      PRO  20 -25.596  14.210   3.944
  143    HG2  PRO  20           HG2      PRO  20 -24.826  16.777   4.376
  144    HG3  PRO  20           HG3      PRO  20 -25.451  15.786   5.734
  145    HD2  PRO  20           HD2      PRO  20 -22.577  16.423   5.040
  146    HD3  PRO  20           HD3      PRO  20 -23.391  16.404   6.640
  147    H    LEU  21           H        LEU  21 -21.596  14.260   3.659
  148    HA   LEU  21           HA       LEU  21 -20.725  11.545   3.168
  149    HB2  LEU  21           HB2      LEU  21 -22.188  12.983   1.148
  150    HB3  LEU  21           HB3      LEU  21 -20.524  13.152   0.683
  151    HG   LEU  21           HG       LEU  21 -20.952  10.427   1.501
  152   HD11  LEU  21          HD11      LEU  21 -22.995  11.317  -0.522
  153   HD12  LEU  21          HD12      LEU  21 -22.690   9.650   0.033
  154   HD13  LEU  21          HD13      LEU  21 -23.311  10.845   1.162
  155   HD21  LEU  21          HD21      LEU  21 -19.176  10.937  -0.071
  156   HD22  LEU  21          HD22      LEU  21 -20.346   9.882  -0.864
  157   HD23  LEU  21          HD23      LEU  21 -20.359  11.636  -1.214
  158    H    MET  22           H        MET  22 -18.577  11.947   1.570
  159    HA   MET  22           HA       MET  22 -17.186  14.351   2.561
  160    HB2  MET  22           HB2      MET  22 -15.394  13.213   3.348
  161    HB3  MET  22           HB3      MET  22 -16.493  11.877   3.570
  162    HG2  MET  22           HG2      MET  22 -14.849  12.338   1.061
  163    HG3  MET  22           HG3      MET  22 -14.212  11.607   2.469
  164    HE1  MET  22           HE1      MET  22 -13.623  10.090   0.317
  165    HE2  MET  22           HE2      MET  22 -14.834   9.120  -0.509
  166    HE3  MET  22           HE3      MET  22 -14.929  10.864  -0.689
  167    H    TYR  23           H        TYR  23 -15.472  14.962   0.941
  168    HA   TYR  23           HA       TYR  23 -16.142  13.994  -1.787
  169    HB2  TYR  23           HB2      TYR  23 -16.133  16.918  -0.967
  170    HB3  TYR  23           HB3      TYR  23 -16.280  16.301  -2.614
  171    HD1  TYR  23           HD1      TYR  23 -18.175  14.259  -2.749
  172    HD2  TYR  23           HD2      TYR  23 -18.210  17.637  -0.059
  173    HE1  TYR  23           HE1      TYR  23 -20.573  13.874  -2.300
  174    HE2  TYR  23           HE2      TYR  23 -20.625  17.288   0.348
  175    HH   TYR  23           HH       TYR  23 -22.405  14.504  -1.116
  176    H    GLU  24           H        GLU  24 -14.612  14.666  -3.384
  177    HA   GLU  24           HA       GLU  24 -12.034  13.839  -2.437
  178    HB2  GLU  24           HB2      GLU  24 -13.075  14.733  -5.173
  179    HB3  GLU  24           HB3      GLU  24 -11.429  14.161  -4.876
  180    HG2  GLU  24           HG2      GLU  24 -12.336  12.256  -5.650
  181    HG3  GLU  24           HG3      GLU  24 -12.600  12.008  -3.934
  182    H    ALA  25           H        ALA  25 -10.167  14.843  -2.380
  183    HA   ALA  25           HA       ALA  25 -10.141  17.774  -2.568
  184    HB1  ALA  25           HB1      ALA  25 -10.543  17.182  -0.230
  185    HB2  ALA  25           HB2      ALA  25  -9.241  16.012  -0.232
  186    HB3  ALA  25           HB3      ALA  25  -8.861  17.710  -0.377
  187    H    LYS  26           H        LYS  26  -7.830  18.522  -2.966
  188    HA   LYS  26           HA       LYS  26  -5.836  16.412  -3.464
  189    HB2  LYS  26           HB2      LYS  26  -7.182  16.903  -5.629
  190    HB3  LYS  26           HB3      LYS  26  -6.466  18.505  -5.575
  191    HG2  LYS  26           HG2      LYS  26  -4.177  17.201  -5.421
  192    HG3  LYS  26           HG3      LYS  26  -5.135  15.777  -5.862
  193    HD2  LYS  26           HD2      LYS  26  -4.088  16.751  -7.838
  194    HD3  LYS  26           HD3      LYS  26  -5.859  16.893  -7.952
  195    HE2  LYS  26           HE2      LYS  26  -5.831  19.221  -7.458
  196    HE3  LYS  26           HE3      LYS  26  -4.239  19.125  -6.716
  197    HZ1  LYS  26           HZ1      LYS  26  -4.704  18.851  -9.628
  198    HZ2  LYS  26           HZ2      LYS  26  -4.115  20.186  -8.867
  199    HZ3  LYS  26           HZ3      LYS  26  -3.239  18.842  -8.862
  200    H    ILE  27           H        ILE  27  -4.276  17.117  -2.111
  201    HA   ILE  27           HA       ILE  27  -4.268  19.740  -0.960
  202    HB   ILE  27           HB       ILE  27  -2.317  17.414  -0.950
  203   HG12  ILE  27          HG12      ILE  27  -3.403  18.072   1.670
  204   HG13  ILE  27          HG13      ILE  27  -4.694  17.834   0.568
  205   HG21  ILE  27          HG21      ILE  27  -2.245  19.989   0.716
  206   HG22  ILE  27          HG22      ILE  27  -1.245  18.559   1.045
  207   HG23  ILE  27          HG23      ILE  27  -1.018  19.458  -0.457
  208   HD11  ILE  27          HD11      ILE  27  -3.760  15.500   0.088
  209   HD12  ILE  27          HD12      ILE  27  -2.438  15.835   1.181
  210   HD13  ILE  27          HD13      ILE  27  -4.127  15.835   1.829
  211    H    LEU  28           H        LEU  28  -3.448  21.611  -1.823
  212    HA   LEU  28           HA       LEU  28  -1.044  21.469  -3.583
  213    HB2  LEU  28           HB2      LEU  28  -3.125  22.128  -4.694
  214    HB3  LEU  28           HB3      LEU  28  -3.506  23.311  -3.470
  215    HG   LEU  28           HG       LEU  28  -0.957  23.627  -5.109
  216   HD11  LEU  28          HD11      LEU  28  -3.827  24.373  -5.809
  217   HD12  LEU  28          HD12      LEU  28  -2.381  24.924  -6.718
  218   HD13  LEU  28          HD13      LEU  28  -2.802  23.199  -6.657
  219   HD21  LEU  28          HD21      LEU  28  -1.550  26.088  -4.846
  220   HD22  LEU  28          HD22      LEU  28  -2.863  25.639  -3.754
  221   HD23  LEU  28          HD23      LEU  28  -1.185  25.307  -3.330
  222    H    LYS  29           H        LYS  29  -2.762  23.854  -1.498
  223    HA   LYS  29           HA       LYS  29  -0.082  24.877  -0.718
  224    HB2  LYS  29           HB2      LYS  29  -2.384  26.238  -1.443
  225    HB3  LYS  29           HB3      LYS  29  -2.556  26.200   0.313
  226    HG2  LYS  29           HG2      LYS  29  -0.858  27.639   0.694
  227    HG3  LYS  29           HG3      LYS  29   0.099  27.038  -0.655
  228    HD2  LYS  29           HD2      LYS  29  -0.556  29.307  -1.125
  229    HD3  LYS  29           HD3      LYS  29  -1.315  28.202  -2.282
  230    HE2  LYS  29           HE2      LYS  29  -3.427  28.265  -0.932
  231    HE3  LYS  29           HE3      LYS  29  -2.617  29.385   0.201
  232    HZ1  LYS  29           HZ1      LYS  29  -3.322  29.933  -2.621
  233    HZ2  LYS  29           HZ2      LYS  29  -3.854  30.731  -1.285
  234    HZ3  LYS  29           HZ3      LYS  29  -2.321  30.898  -1.752
  235    H    ILE  30           H        ILE  30   0.550  24.646   1.495
  236    HA   ILE  30           HA       ILE  30  -1.487  23.440   3.230
  237    HB   ILE  30           HB       ILE  30  -0.074  21.894   4.280
  238   HG12  ILE  30          HG12      ILE  30   2.152  23.114   3.792
  239   HG13  ILE  30          HG13      ILE  30   2.118  21.360   3.883
  240   HG21  ILE  30          HG21      ILE  30  -0.053  20.202   2.562
  241   HG22  ILE  30          HG22      ILE  30  -1.437  21.311   2.345
  242   HG23  ILE  30          HG23      ILE  30  -0.063  21.421   1.267
  243   HD11  ILE  30          HD11      ILE  30   2.154  21.108   1.528
  244   HD12  ILE  30          HD12      ILE  30   1.912  22.842   1.256
  245   HD13  ILE  30          HD13      ILE  30   3.448  22.256   1.959
  246    H    TRP  31           H        TRP  31  -0.887  23.485   5.313
  247    HA   TRP  31           HA       TRP  31   0.403  26.081   6.135
  248    HB2  TRP  31           HB2      TRP  31  -1.649  27.004   5.739
  249    HB3  TRP  31           HB3      TRP  31  -2.518  25.531   6.028
  250    HD1  TRP  31           HD1      TRP  31  -2.725  24.846   8.796
  251    HE1  TRP  31           HE1      TRP  31  -3.344  26.423  10.735
  252    HE3  TRP  31           HE3      TRP  31  -1.612  29.416   6.696
  253    HZ2  TRP  31           HZ2      TRP  31  -2.923  29.032  11.472
  254    HZ3  TRP  31           HZ3      TRP  31  -1.998  31.465   8.057
  255    HH2  TRP  31           HH2      TRP  31  -2.732  31.272  10.460
  256    H    ASP  32           H        ASP  32   0.647  26.399   8.349
  257    HA   ASP  32           HA       ASP  32   0.745  24.029  10.055
  258    HB2  ASP  32           HB2      ASP  32   2.770  23.894   8.673
  259    HB3  ASP  32           HB3      ASP  32   3.148  25.583   9.004
  260    HA   PRO  33           HA       PRO  33  -0.263  27.760  12.463
  261    HB2  PRO  33           HB2      PRO  33  -0.580  26.461  14.937
  262    HB3  PRO  33           HB3      PRO  33  -1.837  26.710  13.702
  263    HG2  PRO  33           HG2      PRO  33  -0.015  24.311  14.110
  264    HG3  PRO  33           HG3      PRO  33  -1.794  24.304  13.805
  265    HD2  PRO  33           HD2      PRO  33  -0.056  23.771  11.883
  266    HD3  PRO  33           HD3      PRO  33  -1.470  24.824  11.542
  267    H    SER  34           H        SER  34   2.484  25.721  12.730
  268    HA   SER  34           HA       SER  34   3.729  26.848  15.065
  269    HB2  SER  34           HB2      SER  34   5.149  25.703  12.653
  270    HB3  SER  34           HB3      SER  34   5.733  25.797  14.318
  271    HG   SER  34           HG       SER  34   3.778  24.109  13.168
  272    H    SER  35           H        SER  35   3.273  28.042  11.805
  273    HA   SER  35           HA       SER  35   4.753  30.534  12.552
  274    HB2  SER  35           HB2      SER  35   4.468  29.366   9.759
  275    HB3  SER  35           HB3      SER  35   5.414  30.787  10.239
  276    HG   SER  35           HG       SER  35   6.741  28.942  10.001
  277    H    LYS  36           H        LYS  36   1.737  29.174  11.888
  278    HA   LYS  36           HA       LYS  36  -0.157  29.760  10.949
  279    HB2  LYS  36           HB2      LYS  36   0.474  32.087  12.738
  280    HB3  LYS  36           HB3      LYS  36  -0.925  32.252  11.702
  281    HG2  LYS  36           HG2      LYS  36  -2.194  30.695  12.707
  282    HG3  LYS  36           HG3      LYS  36  -0.859  29.652  13.135
  283    HD2  LYS  36           HD2      LYS  36  -1.448  32.296  14.528
  284    HD3  LYS  36           HD3      LYS  36  -1.987  30.706  15.109
  285    HE2  LYS  36           HE2      LYS  36   0.334  29.921  15.277
  286    HE3  LYS  36           HE3      LYS  36   0.939  31.433  14.622
  287    HZ1  LYS  36           HZ1      LYS  36   0.053  32.568  16.583
  288    HZ2  LYS  36           HZ2      LYS  36  -0.513  31.158  17.191
  289    HZ3  LYS  36           HZ3      LYS  36   1.093  31.391  17.030
  290    H    MET  37           H        MET  37   1.541  29.753   9.036
  291    HA   MET  37           HA       MET  37   0.404  31.571   7.121
  292    HB2  MET  37           HB2      MET  37   3.409  31.378   7.520
  293    HB3  MET  37           HB3      MET  37   2.632  32.090   6.103
  294    HG2  MET  37           HG2      MET  37   1.489  33.745   7.636
  295    HG3  MET  37           HG3      MET  37   2.482  33.114   8.948
  296    HE1  MET  37           HE1      MET  37   6.057  33.940   7.155
  297    HE2  MET  37           HE2      MET  37   5.242  32.771   8.264
  298    HE3  MET  37           HE3      MET  37   4.958  32.710   6.529
  299    H    TYR  38           H        TYR  38   1.359  30.713   4.896
  300    HA   TYR  38           HA       TYR  38   0.985  27.771   5.030
  301    HB2  TYR  38           HB2      TYR  38  -0.242  28.047   2.963
  302    HB3  TYR  38           HB3      TYR  38  -0.866  29.070   4.259
  303    HD1  TYR  38           HD1      TYR  38   1.125  29.160   1.085
  304    HD2  TYR  38           HD2      TYR  38  -0.786  31.358   4.233
  305    HE1  TYR  38           HE1      TYR  38   1.320  31.216  -0.276
  306    HE2  TYR  38           HE2      TYR  38  -0.409  33.472   2.966
  307    HH   TYR  38           HH       TYR  38   0.395  34.455   1.092
  308    H    THR  39           H        THR  39   1.495  27.162   2.348
  309    HA   THR  39           HA       THR  39   4.146  27.760   1.489
  310    HB   THR  39           HB       THR  39   4.459  25.030   2.099
  311    HG1  THR  39           HG1      THR  39   2.722  25.488   3.737
  312   HG21  THR  39          HG21      THR  39   5.571  27.530   3.380
  313   HG22  THR  39          HG22      THR  39   6.186  25.893   3.742
  314   HG23  THR  39          HG23      THR  39   6.277  26.541   2.094
  315    H    SER  40           H        SER  40   4.487  26.498  -0.529
  316    HA   SER  40           HA       SER  40   2.302  24.691  -1.428
  317    HB2  SER  40           HB2      SER  40   1.808  27.348  -1.733
  318    HB3  SER  40           HB3      SER  40   2.765  27.009  -3.186
  319    HG   SER  40           HG       SER  40   0.555  26.666  -3.515
  320    H    ILE  41           H        ILE  41   2.664  24.170  -3.752
  321    HA   ILE  41           HA       ILE  41   5.255  24.715  -4.896
  322    HB   ILE  41           HB       ILE  41   5.545  22.252  -5.536
  323   HG12  ILE  41          HG12      ILE  41   4.850  20.542  -3.990
  324   HG13  ILE  41          HG13      ILE  41   3.843  21.696  -3.101
  325   HG21  ILE  41          HG21      ILE  41   5.985  22.901  -2.605
  326   HG22  ILE  41          HG22      ILE  41   6.899  21.763  -3.613
  327   HG23  ILE  41          HG23      ILE  41   6.987  23.502  -3.943
  328   HD11  ILE  41          HD11      ILE  41   3.369  21.192  -6.037
  329   HD12  ILE  41          HD12      ILE  41   2.767  20.045  -4.815
  330   HD13  ILE  41          HD13      ILE  41   2.216  21.723  -4.782
  331    HA   PRO  42           HA       PRO  42   2.563  24.835  -8.438
  332    HB2  PRO  42           HB2      PRO  42   4.334  24.878 -10.509
  333    HB3  PRO  42           HB3      PRO  42   4.309  26.185  -9.283
  334    HG2  PRO  42           HG2      PRO  42   6.105  23.734  -9.245
  335    HG3  PRO  42           HG3      PRO  42   6.592  25.454  -9.212
  336    HD2  PRO  42           HD2      PRO  42   6.276  24.146  -6.870
  337    HD3  PRO  42           HD3      PRO  42   5.530  25.775  -7.044
  338    H    ASN  43           H        ASN  43   4.653  22.080  -7.943
  339    HA   ASN  43           HA       ASN  43   4.294  20.580 -10.243
  340    HB2  ASN  43           HB2      ASN  43   5.898  20.012  -8.449
  341    HB3  ASN  43           HB3      ASN  43   4.569  19.602  -7.356
  342   HD21  ASN  43          HD21      ASN  43   6.091  18.648 -10.499
  343   HD22  ASN  43          HD22      ASN  43   5.565  16.983 -10.411
  344    H    ASP  44           H        ASP  44   2.083  20.831  -7.464
  345    HA   ASP  44           HA       ASP  44   0.397  18.626  -8.208
  346    HB2  ASP  44           HB2      ASP  44   0.477  19.397  -5.922
  347    HB3  ASP  44           HB3      ASP  44  -0.044  21.026  -6.399
  348    H    LYS  45           H        LYS  45   0.442  22.025  -9.069
  349    HA   LYS  45           HA       LYS  45  -0.651  23.372 -10.397
  350    HB2  LYS  45           HB2      LYS  45  -0.209  21.505 -12.042
  351    HB3  LYS  45           HB3      LYS  45  -1.865  20.967 -11.782
  352    HG2  LYS  45           HG2      LYS  45  -1.956  22.222 -13.743
  353    HG3  LYS  45           HG3      LYS  45  -2.619  23.304 -12.524
  354    HD2  LYS  45           HD2      LYS  45  -0.343  24.410 -12.367
  355    HD3  LYS  45           HD3      LYS  45   0.216  23.377 -13.678
  356    HE2  LYS  45           HE2      LYS  45  -2.116  25.352 -13.836
  357    HE3  LYS  45           HE3      LYS  45  -0.473  25.681 -14.389
  358    HZ1  LYS  45           HZ1      LYS  45  -0.723  23.878 -16.002
  359    HZ2  LYS  45           HZ2      LYS  45  -2.269  23.610 -15.514
  360    HZ3  LYS  45           HZ3      LYS  45  -1.862  25.023 -16.219
  361    HA   PRO  46           HA       PRO  46  -4.680  23.728  -8.326
  362    HB2  PRO  46           HB2      PRO  46  -5.414  26.217  -9.212
  363    HB3  PRO  46           HB3      PRO  46  -4.243  25.952  -7.875
  364    HG2  PRO  46           HG2      PRO  46  -3.677  26.509 -10.794
  365    HG3  PRO  46           HG3      PRO  46  -2.887  27.243  -9.360
  366    HD2  PRO  46           HD2      PRO  46  -1.764  25.205 -10.773
  367    HD3  PRO  46           HD3      PRO  46  -1.572  25.318  -9.002
  368    H    GLY  47           H        GLY  47  -6.925  24.510  -9.080
  369    HA2  GLY  47           HA2      GLY  47  -7.519  23.321 -11.718
  370    HA3  GLY  47           HA3      GLY  47  -8.624  23.535 -10.347
  371    H    GLY  48           H        GLY  48  -6.591  26.295 -11.230
  372    HA2  GLY  48           HA2      GLY  48  -8.571  27.560 -12.932
  373    HA3  GLY  48           HA3      GLY  48  -8.464  28.203 -11.282
  374    H    SER  49           H        SER  49  -7.722  30.142 -12.313
  375    HA   SER  49           HA       SER  49  -5.375  30.435 -13.876
  376    HB2  SER  49           HB2      SER  49  -6.603  32.435 -11.941
  377    HB3  SER  49           HB3      SER  49  -5.614  32.800 -13.366
  378    HG   SER  49           HG       SER  49  -7.880  33.048 -13.749
  379    H    SER  50           H        SER  50  -3.310  31.416 -13.258
  380    HA   SER  50           HA       SER  50  -1.376  31.433 -12.225
  381    HB2  SER  50           HB2      SER  50  -2.809  31.243  -9.548
  382    HB3  SER  50           HB3      SER  50  -1.151  31.764  -9.851
  383    HG   SER  50           HG       SER  50  -2.635  33.521  -9.572
  384    H    GLN  51           H        GLN  51   0.052  30.190 -10.958
  385    HA   GLN  51           HA       GLN  51  -0.443  27.310 -11.542
  386    HB2  GLN  51           HB2      GLN  51   1.110  28.617 -12.971
  387    HB3  GLN  51           HB3      GLN  51   2.124  28.950 -11.543
  388    HG2  GLN  51           HG2      GLN  51   2.686  26.641 -11.296
  389    HG3  GLN  51           HG3      GLN  51   1.453  26.162 -12.460
  390   HE21  GLN  51          HE21      GLN  51   3.173  24.984 -13.644
  391   HE22  GLN  51          HE22      GLN  51   4.286  25.859 -14.666
  392    H    ALA  52           H        ALA  52   0.015  29.288  -8.788
  393    HA   ALA  52           HA       ALA  52   0.702  28.911  -6.645
  394    HB1  ALA  52           HB1      ALA  52   1.003  25.991  -7.315
  395    HB2  ALA  52           HB2      ALA  52   0.787  26.724  -5.715
  396    HB3  ALA  52           HB3      ALA  52  -0.562  26.737  -6.904
  397    H    THR  53           H        THR  53   2.277  29.629  -8.660
  398    HA   THR  53           HA       THR  53   4.469  28.600  -9.551
  399    HB   THR  53           HB       THR  53   4.491  31.477  -8.601
  400    HG1  THR  53           HG1      THR  53   3.107  31.926 -10.283
  401   HG21  THR  53          HG21      THR  53   6.470  30.744  -9.887
  402   HG22  THR  53          HG22      THR  53   5.419  30.131 -11.184
  403   HG23  THR  53          HG23      THR  53   5.495  31.876 -10.834
  404    H    LYS  54           H        LYS  54   6.098  27.585  -8.874
  405    HA   LYS  54           HA       LYS  54   7.777  26.696  -7.765
  406    HB2  LYS  54           HB2      LYS  54   8.413  29.619  -7.226
  407    HB3  LYS  54           HB3      LYS  54   9.558  28.292  -6.991
  408    HG2  LYS  54           HG2      LYS  54   9.255  27.601  -9.365
  409    HG3  LYS  54           HG3      LYS  54   8.232  29.008  -9.643
  410    HD2  LYS  54           HD2      LYS  54  11.148  29.106  -8.749
  411    HD3  LYS  54           HD3      LYS  54  10.573  29.338 -10.403
  412    HE2  LYS  54           HE2      LYS  54   9.238  31.307  -9.664
  413    HE3  LYS  54           HE3      LYS  54   9.851  31.102  -8.016
  414    HZ1  LYS  54           HZ1      LYS  54  11.520  31.691 -10.389
  415    HZ2  LYS  54           HZ2      LYS  54  11.106  32.763  -9.233
  416    HZ3  LYS  54           HZ3      LYS  54  12.082  31.514  -8.860
  417    H    GLU  55           H        GLU  55   9.221  26.941  -5.522
  418    HA   GLU  55           HA       GLU  55   7.448  25.945  -3.490
  419    HB2  GLU  55           HB2      GLU  55  10.349  26.868  -3.371
  420    HB3  GLU  55           HB3      GLU  55   9.462  26.119  -2.028
  421    HG2  GLU  55           HG2      GLU  55   9.147  24.070  -3.334
  422    HG3  GLU  55           HG3      GLU  55   9.946  24.798  -4.730
  423    H    ILE  56           H        ILE  56   5.926  27.338  -2.688
  424    HA   ILE  56           HA       ILE  56   6.475  30.201  -2.597
  425    HB   ILE  56           HB       ILE  56   4.049  28.750  -1.474
  426   HG12  ILE  56          HG12      ILE  56   4.527  30.021  -4.212
  427   HG13  ILE  56          HG13      ILE  56   4.296  28.308  -3.877
  428   HG21  ILE  56          HG21      ILE  56   4.599  31.689  -2.145
  429   HG22  ILE  56          HG22      ILE  56   3.007  31.050  -1.718
  430   HG23  ILE  56          HG23      ILE  56   4.296  30.996  -0.535
  431   HD11  ILE  56          HD11      ILE  56   2.269  30.497  -3.936
  432   HD12  ILE  56          HD12      ILE  56   2.220  28.823  -4.563
  433   HD13  ILE  56          HD13      ILE  56   1.983  29.162  -2.805
  434    H    LYS  57           H        LYS  57   7.252  31.287  -0.920
  435    HA   LYS  57           HA       LYS  57   8.340  29.873   1.393
  436    HB2  LYS  57           HB2      LYS  57   8.170  32.839   0.644
  437    HB3  LYS  57           HB3      LYS  57   9.040  32.201   2.044
  438    HG2  LYS  57           HG2      LYS  57  10.543  30.905   0.570
  439    HG3  LYS  57           HG3      LYS  57   9.691  31.514  -0.859
  440    HD2  LYS  57           HD2      LYS  57  10.266  33.855  -0.160
  441    HD3  LYS  57           HD3      LYS  57  11.255  33.200   1.156
  442    HE2  LYS  57           HE2      LYS  57  11.634  32.591  -1.813
  443    HE3  LYS  57           HE3      LYS  57  12.519  33.842  -0.931
  444    HZ1  LYS  57           HZ1      LYS  57  12.654  30.941  -0.354
  445    HZ2  LYS  57           HZ2      LYS  57  13.811  31.831  -1.076
  446    HZ3  LYS  57           HZ3      LYS  57  13.444  32.102   0.487
  447    HA   PRO  58           HA       PRO  58   4.703  30.763   3.844
  448    HB2  PRO  58           HB2      PRO  58   6.684  31.436   6.027
  449    HB3  PRO  58           HB3      PRO  58   5.233  30.368   6.131
  450    HG2  PRO  58           HG2      PRO  58   7.756  29.362   6.033
  451    HG3  PRO  58           HG3      PRO  58   6.430  28.592   5.107
  452    HD2  PRO  58           HD2      PRO  58   8.508  30.583   4.155
  453    HD3  PRO  58           HD3      PRO  58   7.928  29.062   3.363
  454    H    GLN  59           H        GLN  59   3.618  32.566   3.697
  455    HA   GLN  59           HA       GLN  59   4.819  35.196   4.356
  456    HB2  GLN  59           HB2      GLN  59   3.504  34.456   1.695
  457    HB3  GLN  59           HB3      GLN  59   3.664  36.116   2.273
  458    HG2  GLN  59           HG2      GLN  59   6.137  35.865   2.351
  459    HG3  GLN  59           HG3      GLN  59   5.985  34.226   1.711
  460   HE21  GLN  59          HE21      GLN  59   5.565  37.697   0.914
  461   HE22  GLN  59          HE22      GLN  59   5.524  37.459  -0.821
  462    H    LYS  60           H        LYS  60   3.308  36.669   4.978
  463    HA   LYS  60           HA       LYS  60   0.909  36.038   6.205
  464    HB2  LYS  60           HB2      LYS  60   1.680  38.608   4.753
  465    HB3  LYS  60           HB3      LYS  60   0.240  38.445   5.765
  466    HG2  LYS  60           HG2      LYS  60   1.646  37.884   7.729
  467    HG3  LYS  60           HG3      LYS  60   3.099  37.952   6.735
  468    HD2  LYS  60           HD2      LYS  60   2.934  39.979   8.010
  469    HD3  LYS  60           HD3      LYS  60   2.705  40.362   6.295
  470    HE2  LYS  60           HE2      LYS  60   0.248  40.457   6.646
  471    HE3  LYS  60           HE3      LYS  60   0.473  40.025   8.350
  472    HZ1  LYS  60           HZ1      LYS  60   1.488  42.494   7.065
  473    HZ2  LYS  60           HZ2      LYS  60   0.199  42.399   8.061
  474    HZ3  LYS  60           HZ3      LYS  60   1.696  42.099   8.643
  475    H    LEU  61           H        LEU  61  -1.277  36.070   5.628
  476    HA   LEU  61           HA       LEU  61  -1.786  35.371   2.789
  477    HB2  LEU  61           HB2      LEU  61  -2.696  33.420   3.412
  478    HB3  LEU  61           HB3      LEU  61  -1.555  33.560   4.720
  479    HG   LEU  61           HG       LEU  61  -4.375  34.548   5.246
  480   HD11  LEU  61          HD11      LEU  61  -3.369  31.684   5.114
  481   HD12  LEU  61          HD12      LEU  61  -4.937  32.260   5.826
  482   HD13  LEU  61          HD13      LEU  61  -4.619  32.456   4.109
  483   HD21  LEU  61          HD21      LEU  61  -2.106  33.297   6.856
  484   HD22  LEU  61          HD22      LEU  61  -2.668  34.976   6.934
  485   HD23  LEU  61          HD23      LEU  61  -3.726  33.677   7.499
  486    H    GLY  62           H        GLY  62  -4.306  35.027   2.527
  487    HA2  GLY  62           HA2      GLY  62  -6.460  35.774   3.284
  488    HA3  GLY  62           HA3      GLY  62  -5.778  37.323   3.755
  489    H    GLU  63           H        GLU  63  -4.731  35.935   0.702
  490    HA   GLU  63           HA       GLU  63  -5.694  38.353  -0.666
  491    HB2  GLU  63           HB2      GLU  63  -4.049  35.951  -1.583
  492    HB3  GLU  63           HB3      GLU  63  -4.438  37.332  -2.603
  493    HG2  GLU  63           HG2      GLU  63  -2.797  37.431  -0.035
  494    HG3  GLU  63           HG3      GLU  63  -2.165  37.485  -1.672
  495    H    ASP  64           H        ASP  64  -6.406  34.862  -0.557
  496    HA   ASP  64           HA       ASP  64  -8.911  35.314  -2.092
  497    HB2  ASP  64           HB2      ASP  64  -7.045  34.850  -3.734
  498    HB3  ASP  64           HB3      ASP  64  -6.800  33.294  -2.951
  499    H    GLU  65           H        GLU  65  -7.463  33.977   0.580
  500    HA   GLU  65           HA       GLU  65  -9.420  31.792   0.926
  501    HB2  GLU  65           HB2      GLU  65  -7.670  30.209   1.343
  502    HB3  GLU  65           HB3      GLU  65  -7.374  30.877  -0.243
  503    HG2  GLU  65           HG2      GLU  65  -5.923  31.697   2.301
  504    HG3  GLU  65           HG3      GLU  65  -5.377  30.520   1.122
  505    H    SER  66           H        SER  66  -9.366  31.050   3.248
  506    HA   SER  66           HA       SER  66  -7.657  32.410   5.160
  507    HB2  SER  66           HB2      SER  66 -10.685  32.833   5.181
  508    HB3  SER  66           HB3      SER  66  -9.634  33.108   6.581
  509    HG   SER  66           HG       SER  66  -8.869  34.325   4.200
  510    H    ILE  67           H        ILE  67  -7.255  30.921   6.792
  511    HA   ILE  67           HA       ILE  67  -8.817  28.441   6.848
  512    HB   ILE  67           HB       ILE  67  -7.109  28.058   8.816
  513   HG12  ILE  67          HG12      ILE  67  -5.946  30.331   8.502
  514   HG13  ILE  67          HG13      ILE  67  -4.969  28.899   8.640
  515   HG21  ILE  67          HG21      ILE  67  -6.363  27.720   5.943
  516   HG22  ILE  67          HG22      ILE  67  -5.506  27.007   7.349
  517   HG23  ILE  67          HG23      ILE  67  -7.168  26.530   7.032
  518   HD11  ILE  67          HD11      ILE  67  -4.382  28.880   6.348
  519   HD12  ILE  67          HD12      ILE  67  -5.630  30.065   5.948
  520   HD13  ILE  67          HD13      ILE  67  -4.228  30.533   6.945
  521    HA   PRO  68           HA       PRO  68 -10.907  30.639  10.352
  522    HB2  PRO  68           HB2      PRO  68 -12.743  28.708  11.039
  523    HB3  PRO  68           HB3      PRO  68 -12.962  29.850   9.681
  524    HG2  PRO  68           HG2      PRO  68 -11.956  26.996   9.577
  525    HG3  PRO  68           HG3      PRO  68 -13.179  27.779   8.534
  526    HD2  PRO  68           HD2      PRO  68 -10.614  27.533   7.708
  527    HD3  PRO  68           HD3      PRO  68 -11.538  29.002   7.352
  528    H    GLU  69           H        GLU  69 -10.961  30.250  12.690
  529    HA   GLU  69           HA       GLU  69  -8.698  28.971  13.766
  530    HB2  GLU  69           HB2      GLU  69 -11.273  29.736  15.158
  531    HB3  GLU  69           HB3      GLU  69  -9.749  29.290  15.951
  532    HG2  GLU  69           HG2      GLU  69  -8.605  31.193  14.816
  533    HG3  GLU  69           HG3      GLU  69 -10.141  31.690  14.106
  534    H    GLU  70           H        GLU  70 -11.804  27.677  12.956
  535    HA   GLU  70           HA       GLU  70 -11.984  25.326  14.487
  536    HB2  GLU  70           HB2      GLU  70 -12.836  25.930  11.613
  537    HB3  GLU  70           HB3      GLU  70 -13.325  24.492  12.525
  538    HG2  GLU  70           HG2      GLU  70 -14.483  25.867  14.177
  539    HG3  GLU  70           HG3      GLU  70 -13.906  27.352  13.406
  540    H    ILE  71           H        ILE  71  -9.933  26.045  11.663
  541    HA   ILE  71           HA       ILE  71  -8.952  23.220  11.724
  542    HB   ILE  71           HB       ILE  71  -8.409  23.433   9.387
  543   HG12  ILE  71          HG12      ILE  71  -9.869  26.090   9.381
  544   HG13  ILE  71          HG13      ILE  71  -8.146  25.861   9.125
  545   HG21  ILE  71          HG21      ILE  71 -10.628  23.113   8.544
  546   HG22  ILE  71          HG22      ILE  71 -10.602  22.510  10.207
  547   HG23  ILE  71          HG23      ILE  71 -11.336  24.093   9.836
  548   HD11  ILE  71          HD11      ILE  71 -10.387  24.864   7.292
  549   HD12  ILE  71          HD12      ILE  71  -9.250  26.142   6.953
  550   HD13  ILE  71          HD13      ILE  71  -8.652  24.487   7.087
  551    H    ILE  72           H        ILE  72  -7.985  26.610  11.834
  552    HA   ILE  72           HA       ILE  72  -5.448  26.630  11.013
  553    HB   ILE  72           HB       ILE  72  -7.135  28.141  12.753
  554   HG12  ILE  72          HG12      ILE  72  -4.878  29.798  12.124
  555   HG13  ILE  72          HG13      ILE  72  -5.101  28.658  10.783
  556   HG21  ILE  72          HG21      ILE  72  -5.835  27.706  14.724
  557   HG22  ILE  72          HG22      ILE  72  -4.354  28.312  13.866
  558   HG23  ILE  72          HG23      ILE  72  -5.723  29.390  14.205
  559   HD11  ILE  72          HD11      ILE  72  -7.355  29.183  10.612
  560   HD12  ILE  72          HD12      ILE  72  -7.312  30.291  12.012
  561   HD13  ILE  72          HD13      ILE  72  -6.405  30.703  10.545
  562    H    ASN  73           H        ASN  73  -6.513  25.314  13.994
  563    HA   ASN  73           HA       ASN  73  -4.121  25.098  15.471
  564    HB2  ASN  73           HB2      ASN  73  -5.544  23.686  16.908
  565    HB3  ASN  73           HB3      ASN  73  -6.372  25.173  16.408
  566   HD21  ASN  73          HD21      ASN  73  -8.386  24.963  15.219
  567   HD22  ASN  73          HD22      ASN  73  -8.999  23.425  14.695
  568    H    GLY  74           H        GLY  74  -4.907  23.343  12.764
  569    HA2  GLY  74           HA2      GLY  74  -2.941  21.215  13.442
  570    HA3  GLY  74           HA3      GLY  74  -4.448  20.771  12.620
  571    H    LYS  75           H        LYS  75  -2.364  20.207  11.344
  572    HA   LYS  75           HA       LYS  75  -1.297  22.040   9.440
  573    HB2  LYS  75           HB2      LYS  75  -2.114  19.160   9.020
  574    HB3  LYS  75           HB3      LYS  75  -1.141  20.115   7.888
  575    HG2  LYS  75           HG2      LYS  75  -0.215  19.661  10.705
  576    HG3  LYS  75           HG3      LYS  75  -0.080  18.384   9.473
  577    HD2  LYS  75           HD2      LYS  75   2.008  19.321   9.347
  578    HD3  LYS  75           HD3      LYS  75   1.149  20.108   8.032
  579    HE2  LYS  75           HE2      LYS  75   2.443  21.777   9.140
  580    HE3  LYS  75           HE3      LYS  75   0.760  22.086   9.559
  581    HZ1  LYS  75           HZ1      LYS  75   2.748  20.706  11.286
  582    HZ2  LYS  75           HZ2      LYS  75   2.255  22.242  11.493
  583    HZ3  LYS  75           HZ3      LYS  75   1.201  21.000  11.719
  584    H    CYS  76           H        CYS  76  -2.290  22.851   7.560
  585    HA   CYS  76           HA       CYS  76  -5.089  21.955   7.016
  586    HB2  CYS  76           HB2      CYS  76  -4.209  24.858   6.901
  587    HB3  CYS  76           HB3      CYS  76  -5.737  24.214   6.297
  588    HG   CYS  76           HG       CYS  76  -4.578  23.856   9.397
  589    H    PHE  77           H        PHE  77  -5.759  22.200   4.893
  590    HA   PHE  77           HA       PHE  77  -3.590  22.052   2.855
  591    HB2  PHE  77           HB2      PHE  77  -5.910  20.092   3.217
  592    HB3  PHE  77           HB3      PHE  77  -4.560  19.983   2.089
  593    HD1  PHE  77           HD1      PHE  77  -2.287  19.556   2.966
  594    HD2  PHE  77           HD2      PHE  77  -5.693  19.491   5.530
  595    HE1  PHE  77           HE1      PHE  77  -0.815  18.878   4.852
  596    HE2  PHE  77           HE2      PHE  77  -4.324  18.514   7.342
  597    HZ   PHE  77           HZ       PHE  77  -1.862  18.140   6.977
  598    H    PHE  78           H        PHE  78  -4.101  23.647   1.509
  599    HA   PHE  78           HA       PHE  78  -6.846  24.490   0.844
  600    HB2  PHE  78           HB2      PHE  78  -4.819  26.054   0.833
  601    HB3  PHE  78           HB3      PHE  78  -4.246  25.109  -0.537
  602    HD1  PHE  78           HD1      PHE  78  -7.200  27.089   0.652
  603    HD2  PHE  78           HD2      PHE  78  -4.892  25.700  -2.718
  604    HE1  PHE  78           HE1      PHE  78  -8.566  28.496  -0.869
  605    HE2  PHE  78           HE2      PHE  78  -6.187  27.190  -4.216
  606    HZ   PHE  78           HZ       PHE  78  -8.003  28.621  -3.288
  607    H    ILE  79           H        ILE  79  -7.940  23.002  -0.259
  608    HA   ILE  79           HA       ILE  79  -6.443  21.128  -2.007
  609    HB   ILE  79           HB       ILE  79  -8.441  19.617  -1.447
  610   HG12  ILE  79          HG12      ILE  79  -8.781  21.399   0.963
  611   HG13  ILE  79          HG13      ILE  79  -9.722  21.672  -0.506
  612   HG21  ILE  79          HG21      ILE  79  -7.470  19.129   0.895
  613   HG22  ILE  79          HG22      ILE  79  -6.385  19.014  -0.484
  614   HG23  ILE  79          HG23      ILE  79  -6.330  20.423   0.597
  615   HD11  ILE  79          HD11      ILE  79 -11.069  20.584   1.015
  616   HD12  ILE  79          HD12      ILE  79 -10.765  19.544  -0.379
  617   HD13  ILE  79          HD13      ILE  79  -9.928  19.211   1.174
  618    H    HIS  80           H        HIS  80  -7.254  20.642  -4.043
  619    HA   HIS  80           HA       HIS  80  -9.447  22.390  -5.008
  620    HB2  HIS  80           HB2      HIS  80  -7.620  21.638  -6.540
  621    HB3  HIS  80           HB3      HIS  80  -8.270  19.983  -6.387
  622    HD2  HIS  80           HD2      HIS  80  -9.107  23.451  -7.821
  623    HE1  HIS  80           HE1      HIS  80 -12.087  20.807  -9.333
  624    HE2  HIS  80           HE2      HIS  80 -11.143  23.155  -9.490
  625    H    TYR  81           H        TYR  81 -11.399  21.872  -4.284
  626    HA   TYR  81           HA       TYR  81 -12.099  19.206  -3.339
  627    HB2  TYR  81           HB2      TYR  81 -13.628  21.755  -3.623
  628    HB3  TYR  81           HB3      TYR  81 -14.498  20.240  -3.514
  629    HD1  TYR  81           HD1      TYR  81 -13.339  18.617  -1.582
  630    HD2  TYR  81           HD2      TYR  81 -13.682  22.883  -1.448
  631    HE1  TYR  81           HE1      TYR  81 -13.804  18.481   0.837
  632    HE2  TYR  81           HE2      TYR  81 -14.038  22.792   0.991
  633    HH   TYR  81           HH       TYR  81 -14.284  19.701   2.795
  634    H    GLN  82           H        GLN  82 -11.907  17.747  -4.959
  635    HA   GLN  82           HA       GLN  82 -12.502  18.434  -7.737
  636    HB2  GLN  82           HB2      GLN  82 -11.906  15.637  -6.751
  637    HB3  GLN  82           HB3      GLN  82 -11.648  16.325  -8.341
  638    HG2  GLN  82           HG2      GLN  82  -9.841  17.779  -7.364
  639    HG3  GLN  82           HG3      GLN  82 -10.114  16.992  -5.795
  640   HE21  GLN  82          HE21      GLN  82  -9.042  15.115  -5.349
  641   HE22  GLN  82          HE22      GLN  82  -8.176  14.167  -6.537
  642    H    GLY  83           H        GLY  83 -13.977  17.043  -9.047
  643    HA2  GLY  83           HA2      GLY  83 -16.088  16.200  -9.472
  644    HA3  GLY  83           HA3      GLY  83 -16.256  15.769  -7.760
  645    H    TRP  84           H        TRP  84 -15.328  18.997  -7.792
  646    HA   TRP  84           HA       TRP  84 -18.066  20.061  -8.126
  647    HB2  TRP  84           HB2      TRP  84 -16.360  20.461  -5.619
  648    HB3  TRP  84           HB3      TRP  84 -17.932  21.210  -5.975
  649    HD1  TRP  84           HD1      TRP  84 -16.598  18.329  -4.136
  650    HE1  TRP  84           HE1      TRP  84 -18.580  16.879  -3.330
  651    HE3  TRP  84           HE3      TRP  84 -20.221  20.214  -7.168
  652    HZ2  TRP  84           HZ2      TRP  84 -21.386  16.758  -3.806
  653    HZ3  TRP  84           HZ3      TRP  84 -22.588  19.409  -6.993
  654    HH2  TRP  84           HH2      TRP  84 -23.186  17.681  -5.291
  655    H    LYS  85           H        LYS  85 -17.937  22.546  -7.856
  656    HA   LYS  85           HA       LYS  85 -16.421  23.399 -10.097
  657    HB2  LYS  85           HB2      LYS  85 -17.671  25.093  -7.880
  658    HB3  LYS  85           HB3      LYS  85 -17.180  25.683  -9.463
  659    HG2  LYS  85           HG2      LYS  85 -19.449  23.738  -8.867
  660    HG3  LYS  85           HG3      LYS  85 -19.600  25.415  -9.364
  661    HD2  LYS  85           HD2      LYS  85 -18.523  23.125 -11.074
  662    HD3  LYS  85           HD3      LYS  85 -20.104  23.909 -11.210
  663    HE2  LYS  85           HE2      LYS  85 -18.985  26.069 -11.754
  664    HE3  LYS  85           HE3      LYS  85 -17.411  25.268 -11.664
  665    HZ1  LYS  85           HZ1      LYS  85 -18.099  23.859 -13.517
  666    HZ2  LYS  85           HZ2      LYS  85 -19.564  24.591 -13.590
  667    HZ3  LYS  85           HZ3      LYS  85 -18.216  25.429 -13.936
  668    H    SER  86           H        SER  86 -14.419  24.423 -10.263
  669    HA   SER  86           HA       SER  86 -12.546  24.349  -8.211
  670    HB2  SER  86           HB2      SER  86 -12.603  26.246 -10.589
  671    HB3  SER  86           HB3      SER  86 -11.173  25.773  -9.663
  672    HG   SER  86           HG       SER  86 -11.387  24.528 -11.545
  673    H    SER  87           H        SER  87 -15.180  26.633  -8.434
  674    HA   SER  87           HA       SER  87 -14.115  28.787  -6.956
  675    HB2  SER  87           HB2      SER  87 -16.899  27.614  -6.640
  676    HB3  SER  87           HB3      SER  87 -16.398  29.305  -6.464
  677    HG   SER  87           HG       SER  87 -17.408  28.951  -8.482
  678    H    TRP  88           H        TRP  88 -14.881  25.473  -6.036
  679    HA   TRP  88           HA       TRP  88 -14.696  25.916  -3.166
  680    HB2  TRP  88           HB2      TRP  88 -14.938  23.383  -4.850
  681    HB3  TRP  88           HB3      TRP  88 -14.901  23.455  -3.110
  682    HD1  TRP  88           HD1      TRP  88 -17.253  25.739  -5.109
  683    HE1  TRP  88           HE1      TRP  88 -19.599  25.239  -4.290
  684    HE3  TRP  88           HE3      TRP  88 -16.185  21.785  -2.067
  685    HZ2  TRP  88           HZ2      TRP  88 -20.936  23.171  -2.700
  686    HZ3  TRP  88           HZ3      TRP  88 -18.027  20.507  -0.959
  687    HH2  TRP  88           HH2      TRP  88 -20.394  21.201  -1.267
  688    H    ASP  89           H        ASP  89 -12.205  26.446  -5.082
  689    HA   ASP  89           HA       ASP  89 -10.248  24.503  -4.070
  690    HB2  ASP  89           HB2      ASP  89 -10.126  27.164  -5.501
  691    HB3  ASP  89           HB3      ASP  89  -8.743  26.645  -4.548
  692    H    GLU  90           H        GLU  90 -10.603  24.310  -1.775
  693    HA   GLU  90           HA       GLU  90 -10.445  26.843  -0.176
  694    HB2  GLU  90           HB2      GLU  90 -12.796  25.938  -0.628
  695    HB3  GLU  90           HB3      GLU  90 -12.276  24.414   0.108
  696    HG2  GLU  90           HG2      GLU  90 -13.650  25.795   1.616
  697    HG3  GLU  90           HG3      GLU  90 -12.077  25.433   2.270
  698    H    TRP  91           H        TRP  91  -9.507  26.597   2.008
  699    HA   TRP  91           HA       TRP  91  -8.081  24.089   2.332
  700    HB2  TRP  91           HB2      TRP  91  -8.133  25.634   4.784
  701    HB3  TRP  91           HB3      TRP  91  -6.822  24.867   3.942
  702    HD1  TRP  91           HD1      TRP  91  -8.879  28.099   3.843
  703    HE1  TRP  91           HE1      TRP  91  -7.236  30.040   3.805
  704    HE3  TRP  91           HE3      TRP  91  -4.473  25.509   3.352
  705    HZ2  TRP  91           HZ2      TRP  91  -4.418  30.458   3.231
  706    HZ3  TRP  91           HZ3      TRP  91  -2.347  26.734   2.945
  707    HH2  TRP  91           HH2      TRP  91  -2.393  29.243   2.731
  708    H    VAL  92           H        VAL  92  -8.136  22.683   3.954
  709    HA   VAL  92           HA       VAL  92 -10.306  22.764   5.972
  710    HB   VAL  92           HB       VAL  92 -10.545  20.258   5.731
  711   HG11  VAL  92          HG11      VAL  92 -12.078  20.272   3.898
  712   HG12  VAL  92          HG12      VAL  92 -12.296  21.749   4.858
  713   HG13  VAL  92          HG13      VAL  92 -11.450  21.825   3.292
  714   HG21  VAL  92          HG21      VAL  92  -8.527  19.849   4.383
  715   HG22  VAL  92          HG22      VAL  92 -10.009  19.201   3.635
  716   HG23  VAL  92          HG23      VAL  92  -9.268  20.694   3.018
  717    H    GLY  93           H        GLY  93  -9.720  21.203   7.776
  718    HA2  GLY  93           HA2      GLY  93  -6.763  21.137   8.181
  719    HA3  GLY  93           HA3      GLY  93  -7.957  21.268   9.464
  720    H    TYR  94           H        TYR  94  -6.113  19.288   9.585
  721    HA   TYR  94           HA       TYR  94  -6.863  16.807   8.492
  722    HB2  TYR  94           HB2      TYR  94  -4.882  17.834  10.169
  723    HB3  TYR  94           HB3      TYR  94  -5.673  16.591  11.165
  724    HD1  TYR  94           HD1      TYR  94  -6.292  14.395   9.699
  725    HD2  TYR  94           HD2      TYR  94  -3.165  17.208   8.840
  726    HE1  TYR  94           HE1      TYR  94  -5.476  12.898   7.906
  727    HE2  TYR  94           HE2      TYR  94  -2.380  15.755   6.975
  728    HH   TYR  94           HH       TYR  94  -2.805  13.792   5.709
  729    H    ASP  95           H        ASP  95  -8.274  18.572  11.074
  730    HA   ASP  95           HA       ASP  95  -9.801  16.605  12.416
  731    HB2  ASP  95           HB2      ASP  95  -9.676  18.950  13.145
  732    HB3  ASP  95           HB3      ASP  95 -10.503  19.473  11.671
  733    H    ARG  96           H        ARG  96 -10.039  17.726   9.133
  734    HA   ARG  96           HA       ARG  96 -12.650  16.320   8.787
  735    HB2  ARG  96           HB2      ARG  96 -11.720  18.931   7.511
  736    HB3  ARG  96           HB3      ARG  96 -13.208  18.067   7.101
  737    HG2  ARG  96           HG2      ARG  96 -14.015  18.290   9.432
  738    HG3  ARG  96           HG3      ARG  96 -12.518  19.120   9.884
  739    HD2  ARG  96           HD2      ARG  96 -13.080  20.949   8.281
  740    HD3  ARG  96           HD3      ARG  96 -14.666  20.171   8.034
  741    HE   ARG  96           HE       ARG  96 -14.263  20.363  10.798
  742   HH11  ARG  96          HH11      ARG  96 -14.643  22.687   8.142
  743   HH12  ARG  96          HH12      ARG  96 -15.257  23.951   9.163
  744   HH21  ARG  96          HH21      ARG  96 -15.105  22.015  12.128
  745   HH22  ARG  96          HH22      ARG  96 -15.488  23.579  11.469
  746    H    ILE  97           H        ILE  97  -9.365  16.915   7.360
  747    HA   ILE  97           HA       ILE  97 -10.179  15.111   5.161
  748    HB   ILE  97           HB       ILE  97  -9.407  17.455   4.817
  749   HG12  ILE  97          HG12      ILE  97  -7.787  15.296   3.409
  750   HG13  ILE  97          HG13      ILE  97  -9.361  15.909   2.922
  751   HG21  ILE  97          HG21      ILE  97  -6.520  16.610   4.993
  752   HG22  ILE  97          HG22      ILE  97  -7.340  18.196   5.023
  753   HG23  ILE  97          HG23      ILE  97  -7.335  17.189   6.486
  754   HD11  ILE  97          HD11      ILE  97  -6.657  17.206   2.761
  755   HD12  ILE  97          HD12      ILE  97  -7.970  17.094   1.562
  756   HD13  ILE  97          HD13      ILE  97  -8.104  18.221   2.894
  757    H    ARG  98           H        ARG  98  -8.790  13.582   4.313
  758    HA   ARG  98           HA       ARG  98  -6.346  12.797   5.824
  759    HB2  ARG  98           HB2      ARG  98  -8.508  10.910   4.941
  760    HB3  ARG  98           HB3      ARG  98  -6.830  10.487   5.378
  761    HG2  ARG  98           HG2      ARG  98  -7.175  11.366   7.676
  762    HG3  ARG  98           HG3      ARG  98  -8.866  11.808   7.269
  763    HD2  ARG  98           HD2      ARG  98  -9.403   9.549   6.730
  764    HD3  ARG  98           HD3      ARG  98  -7.686   9.082   6.836
  765    HE   ARG  98           HE       ARG  98  -8.566  10.043   9.366
  766   HH11  ARG  98          HH11      ARG  98  -9.039   7.298   7.157
  767   HH12  ARG  98          HH12      ARG  98  -8.853   6.084   8.399
  768   HH21  ARG  98          HH21      ARG  98  -8.585   8.420  11.064
  769   HH22  ARG  98          HH22      ARG  98  -8.789   6.750  10.650
  770    H    ALA  99           H        ALA  99  -4.872  11.640   4.345
  771    HA   ALA  99           HA       ALA  99  -4.897  12.536   1.615
  772    HB1  ALA  99           HB1      ALA  99  -2.809  11.465   1.423
  773    HB2  ALA  99           HB2      ALA  99  -2.926  12.095   3.070
  774    HB3  ALA  99           HB3      ALA  99  -3.222  10.357   2.825
  775    H    TYR 100           H        TYR 100  -4.210  10.636  -0.038
  776    HA   TYR 100           HA       TYR 100  -6.684   9.098  -0.309
  777    HB2  TYR 100           HB2      TYR 100  -4.797  10.186  -2.120
  778    HB3  TYR 100           HB3      TYR 100  -4.770   8.457  -2.357
  779    HD1  TYR 100           HD1      TYR 100  -7.613  10.822  -1.540
  780    HD2  TYR 100           HD2      TYR 100  -5.954   7.976  -4.313
  781    HE1  TYR 100           HE1      TYR 100  -9.592  11.073  -2.996
  782    HE2  TYR 100           HE2      TYR 100  -7.964   8.168  -5.732
  783    HH   TYR 100           HH       TYR 100 -10.034   9.214  -6.027
  784    H    ASN 101           H        ASN 101  -7.019   7.118   0.434
  785    HA   ASN 101           HA       ASN 101  -5.201   4.966  -0.085
  786    HB2  ASN 101           HB2      ASN 101  -4.837   4.171   2.205
  787    HB3  ASN 101           HB3      ASN 101  -4.123   5.736   1.940
  788   HD21  ASN 101          HD21      ASN 101  -4.470   7.234   3.457
  789   HD22  ASN 101          HD22      ASN 101  -5.763   7.166   4.665
  790    H    GLU 102           H        GLU 102  -5.977   2.899   0.881
  791    HA   GLU 102           HA       GLU 102  -8.523   2.416  -0.225
  792    HB2  GLU 102           HB2      GLU 102  -6.508   0.896  -0.145
  793    HB3  GLU 102           HB3      GLU 102  -6.852   0.606   1.573
  794    HG2  GLU 102           HG2      GLU 102  -9.018  -0.408   0.979
  795    HG3  GLU 102           HG3      GLU 102  -8.796   0.024  -0.716
  796    H    GLU 103           H        GLU 103  -7.539   2.968   3.138
  797    HA   GLU 103           HA       GLU 103  -9.994   1.945   4.313
  798    HB2  GLU 103           HB2      GLU 103  -8.314   1.895   5.807
  799    HB3  GLU 103           HB3      GLU 103  -7.498   3.327   5.220
  800    HG2  GLU 103           HG2      GLU 103  -8.899   4.820   6.348
  801    HG3  GLU 103           HG3      GLU 103 -10.135   3.585   6.695
  802    H    ASN 104           H        ASN 104  -8.866   5.086   3.012
  803    HA   ASN 104           HA       ASN 104 -11.319   6.412   3.950
  804    HB2  ASN 104           HB2      ASN 104  -9.238   7.420   2.003
  805    HB3  ASN 104           HB3      ASN 104 -10.579   8.346   2.693
  806   HD21  ASN 104          HD21      ASN 104  -7.565   8.747   2.955
  807   HD22  ASN 104          HD22      ASN 104  -7.265   8.688   4.660
  808    H    ILE 105           H        ILE 105 -10.225   4.621   1.043
  809    HA   ILE 105           HA       ILE 105 -12.572   5.380  -0.445
  810    HB   ILE 105           HB       ILE 105 -10.515   3.195  -0.554
  811   HG12  ILE 105          HG12      ILE 105  -9.274   4.704  -1.654
  812   HG13  ILE 105          HG13      ILE 105 -10.521   4.778  -2.915
  813   HG21  ILE 105          HG21      ILE 105 -11.361   2.659  -2.818
  814   HG22  ILE 105          HG22      ILE 105 -12.428   2.221  -1.477
  815   HG23  ILE 105          HG23      ILE 105 -12.800   3.666  -2.444
  816   HD11  ILE 105          HD11      ILE 105  -9.789   6.995  -2.275
  817   HD12  ILE 105          HD12      ILE 105 -11.509   6.788  -1.835
  818   HD13  ILE 105          HD13      ILE 105 -10.236   6.727  -0.598
  819    H    ALA 106           H        ALA 106 -11.831   2.877   2.052
  820    HA   ALA 106           HA       ALA 106 -14.275   1.439   1.611
  821    HB1  ALA 106           HB1      ALA 106 -13.857   0.483   3.778
  822    HB2  ALA 106           HB2      ALA 106 -12.295   0.684   2.932
  823    HB3  ALA 106           HB3      ALA 106 -12.762   1.807   4.226
  824    H    MET 107           H        MET 107 -13.395   4.290   3.601
  825    HA   MET 107           HA       MET 107 -16.052   4.858   4.450
  826    HB2  MET 107           HB2      MET 107 -15.167   6.517   5.608
  827    HB3  MET 107           HB3      MET 107 -13.616   5.927   5.041
  828    HG2  MET 107           HG2      MET 107 -14.157   7.660   3.053
  829    HG3  MET 107           HG3      MET 107 -15.182   8.345   4.288
  830    HE1  MET 107           HE1      MET 107 -12.918   9.610   2.714
  831    HE2  MET 107           HE2      MET 107 -13.849  10.469   3.997
  832    HE3  MET 107           HE3      MET 107 -12.067  10.627   3.933
  833    H    LYS 108           H        LYS 108 -14.341   5.987   1.464
  834    HA   LYS 108           HA       LYS 108 -16.400   7.513   0.437
  835    HB2  LYS 108           HB2      LYS 108 -14.180   7.258  -0.773
  836    HB3  LYS 108           HB3      LYS 108 -14.589   5.615  -1.149
  837    HG2  LYS 108           HG2      LYS 108 -14.928   6.945  -3.101
  838    HG3  LYS 108           HG3      LYS 108 -16.402   6.183  -2.586
  839    HD2  LYS 108           HD2      LYS 108 -17.397   8.179  -2.916
  840    HD3  LYS 108           HD3      LYS 108 -16.717   8.691  -1.398
  841    HE2  LYS 108           HE2      LYS 108 -15.982  10.362  -2.861
  842    HE3  LYS 108           HE3      LYS 108 -14.567   9.288  -2.828
  843    HZ1  LYS 108           HZ1      LYS 108 -16.686   9.224  -4.915
  844    HZ2  LYS 108           HZ2      LYS 108 -15.284  10.032  -5.073
  845    HZ3  LYS 108           HZ3      LYS 108 -15.272   8.391  -4.944
  846    H    LYS 109           H        LYS 109 -15.796   4.043  -0.219
  847    HA   LYS 109           HA       LYS 109 -18.030   3.496  -1.750
  848    HB2  LYS 109           HB2      LYS 109 -16.386   1.727   0.114
  849    HB3  LYS 109           HB3      LYS 109 -17.711   1.075  -0.883
  850    HG2  LYS 109           HG2      LYS 109 -16.627   2.081  -2.896
  851    HG3  LYS 109           HG3      LYS 109 -15.273   2.573  -1.885
  852    HD2  LYS 109           HD2      LYS 109 -16.187  -0.285  -2.432
  853    HD3  LYS 109           HD3      LYS 109 -14.763   0.516  -3.124
  854    HE2  LYS 109           HE2      LYS 109 -13.813   0.767  -0.825
  855    HE3  LYS 109           HE3      LYS 109 -15.199  -0.105  -0.170
  856    HZ1  LYS 109           HZ1      LYS 109 -13.247  -1.243  -2.081
  857    HZ2  LYS 109           HZ2      LYS 109 -13.322  -1.580  -0.487
  858    HZ3  LYS 109           HZ3      LYS 109 -14.540  -2.038  -1.470
  859    H    ARG 110           H        ARG 110 -17.896   2.958   1.870
  860    HA   ARG 110           HA       ARG 110 -20.645   2.171   1.752
  861    HB2  ARG 110           HB2      ARG 110 -20.625   1.660   3.885
  862    HB3  ARG 110           HB3      ARG 110 -18.872   1.757   3.662
  863    HG2  ARG 110           HG2      ARG 110 -20.514   4.086   4.755
  864    HG3  ARG 110           HG3      ARG 110 -19.876   2.801   5.775
  865    HD2  ARG 110           HD2      ARG 110 -17.980   3.928   3.783
  866    HD3  ARG 110           HD3      ARG 110 -18.424   5.021   5.098
  867    HE   ARG 110           HE       ARG 110 -16.940   2.469   5.256
  868   HH11  ARG 110          HH11      ARG 110 -18.475   5.081   7.125
  869   HH12  ARG 110          HH12      ARG 110 -17.591   4.752   8.572
  870   HH21  ARG 110          HH21      ARG 110 -15.762   2.035   7.195
  871   HH22  ARG 110          HH22      ARG 110 -16.013   3.000   8.603
  872    H    LEU 111           H        LEU 111 -19.154   5.358   2.188
  873    HA   LEU 111           HA       LEU 111 -21.544   6.778   2.886
  874    HB2  LEU 111           HB2      LEU 111 -18.883   7.437   1.575
  875    HB3  LEU 111           HB3      LEU 111 -20.158   8.586   1.528
  876    HG   LEU 111           HG       LEU 111 -18.922   7.483   4.073
  877   HD11  LEU 111          HD11      LEU 111 -18.229   9.600   2.200
  878   HD12  LEU 111          HD12      LEU 111 -18.563  10.301   3.769
  879   HD13  LEU 111          HD13      LEU 111 -17.338   9.034   3.622
  880   HD21  LEU 111          HD21      LEU 111 -20.237   9.377   5.151
  881   HD22  LEU 111          HD22      LEU 111 -21.191   9.455   3.650
  882   HD23  LEU 111          HD23      LEU 111 -21.180   7.987   4.632
  883    H    ALA 112           H        ALA 112 -19.960   6.347  -0.278
  884    HA   ALA 112           HA       ALA 112 -21.859   7.662  -1.842
  885    HB1  ALA 112           HB1      ALA 112 -20.869   6.445  -3.756
  886    HB2  ALA 112           HB2      ALA 112 -19.623   7.043  -2.642
  887    HB3  ALA 112           HB3      ALA 112 -20.073   5.320  -2.629
  888    H    ASN 113           H        ASN 113 -22.123   4.453  -0.440
  889    HA   ASN 113           HA       ASN 113 -24.341   3.564  -2.061
  890    HB2  ASN 113           HB2      ASN 113 -23.918   1.706  -0.938
  891    HB3  ASN 113           HB3      ASN 113 -22.821   2.526   0.149
  892   HD21  ASN 113          HD21      ASN 113 -23.706   3.383   2.211
  893   HD22  ASN 113          HD22      ASN 113 -25.179   2.683   2.861
  894    H    LEU 114           H        LEU 114 -24.122   5.883   0.599
  895    HA   LEU 114           HA       LEU 114 -26.968   5.929   1.169
  896    HB2  LEU 114           HB2      LEU 114 -25.233   6.539   2.847
  897    HB3  LEU 114           HB3      LEU 114 -24.765   7.906   1.829
  898    HG   LEU 114           HG       LEU 114 -27.024   8.908   2.080
  899   HD11  LEU 114          HD11      LEU 114 -27.429   6.640   4.082
  900   HD12  LEU 114          HD12      LEU 114 -28.475   8.074   3.925
  901   HD13  LEU 114          HD13      LEU 114 -28.356   6.915   2.594
  902   HD21  LEU 114          HD21      LEU 114 -26.613   9.674   4.371
  903   HD22  LEU 114          HD22      LEU 114 -25.483   8.316   4.629
  904   HD23  LEU 114          HD23      LEU 114 -25.112   9.572   3.425
  905    H    GLU 115           H        GLU 115 -24.657   7.885  -0.622
  906    HA   GLU 115           HA       GLU 115 -26.010  10.079  -1.401
  907    HB2  GLU 115           HB2      GLU 115 -23.659   9.444  -2.044
  908    HB3  GLU 115           HB3      GLU 115 -24.327   8.484  -3.363
  909    HG2  GLU 115           HG2      GLU 115 -25.405  10.534  -4.292
  910    HG3  GLU 115           HG3      GLU 115 -24.762  11.475  -2.952